- BRUCITE - [Mg(OH)2]18
Crystal Structure
Because of the translational symmetry all the calculations are performed in the primitive unit cell and not in the conventional unit cell. The following information regarding the structure is given with respect to this primitive unit cell, which sometimes can take an unintuitive shape.
Symmetry (experimental):
Space group: | xx | xx | ||||
Lattice parameters (Å): | 1.0000 | 1.0000 | 1.0000 | |||
Angles (°): | x | x | x |
Symmetry (theoretical):
Space group: | xx | xx | ||||
Lattice parameters (Å): | 4.7626 | 4.7626 | 4.7626 | |||
Angles (°): | 90.0 | 90.0 | 90.0 |
Cell contents:
Number of atoms: | 90 |
Number of atom types: | 3 |
Chemical composition: | 0 |
Atomic positions (theoretical):
: | 0.3041 | 0.1330 | 0.9693 |
: | 0.2853 | 0.7840 | 0.0230 |
: | 0.6524 | 0.3307 | 0.0487 |
H: | 0.9214 | 0.5268 | 0.2334 |
Mg: | 0.3127 | 0.4626 | 0.2505 |
Mg: | 0.5656 | 0.9161 | 0.7516 |
Mg: | 0.0739 | 0.8222 | 0.8280 |
Mg: | 0.5460 | 0.6096 | 0.8028 |
Mg: | 0.0976 | 0.4954 | 0.0063 |
Mg: | 0.2909 | 0.0983 | 0.6032 |
Mg: | 0.4134 | 0.9824 | 0.2466 |
Mg: | 0.8358 | 0.1155 | 0.3221 |
Mg: | 0.6532 | 0.2480 | 0.5989 |
Mg: | 0.0631 | 0.3252 | 0.4314 |
Mg: | 0.8198 | 0.6390 | 0.5498 |
Mg: | 0.6070 | 0.7675 | 0.2145 |
Mg: | 0.8484 | 0.9053 | 0.0690 |
Mg: | 0.2024 | 0.7172 | 0.3919 |
Mg: | 0.1053 | 0.3760 | 0.2099 |
Mg: | 0.3922 | 0.1649 | 0.4224 |
Mg: | 0.7694 | 0.3452 | 0.2980 |
Mg: | 0.8894 | 0.4559 | 0.0065 |
Mg: | 0.1177 | 0.6405 | 0.1663 |
Mg: | 0.0910 | 0.8787 | 0.0442 |
Mg: | 0.6037 | 0.9696 | 0.1916 |
Mg: | 0.0818 | 0.1266 | 0.9245 |
Mg: | 0.3706 | 0.7493 | 0.2551 |
Mg: | 0.8316 | 0.2457 | 0.7108 |
Mg: | 0.0752 | 0.0005 | 0.6561 |
Mg: | 0.0340 | 0.0647 | 0.3970 |
Mg: | 0.6230 | 0.6590 | 0.4306 |
Mg: | 0.0083 | 0.7465 | 0.6198 |
Mg: | 0.5205 | 0.1356 | 0.7154 |
Mg: | 0.6054 | 0.7505 | 0.6699 |
Mg: | 0.3235 | 0.8929 | 0.8363 |
Mg: | 0.7365 | 0.0394 | 0.4913 |
Mg: | 0.3435 | 0.8334 | 0.5697 |
Mg: | 0.1765 | 0.3296 | 0.6449 |
Mg: | 0.8545 | 0.1073 | 0.1186 |
Mg: | 0.2467 | 0.5424 | 0.4766 |
Mg: | 0.5631 | 0.4028 | 0.4626 |
Mg: | 0.9542 | 0.5218 | 0.4555 |
Mg: | 0.6347 | 0.5224 | 0.1563 |
Mg: | 0.8840 | 0.7439 | 0.2874 |
Mg: | 0.2061 | 0.6210 | 0.8445 |
Mg: | 0.2531 | 0.0921 | 0.1406 |
Mg: | 0.5387 | 0.0417 | 0.9361 |
Mg: | 0.2346 | 0.3348 | 0.9370 |
Mg: | 0.8206 | 0.5238 | 0.7276 |
Mg: | 0.4541 | 0.3064 | 0.1280 |
Mg: | 0.8301 | 0.9409 | 0.8622 |
Mg: | 0.4423 | 0.6428 | 0.9882 |
Mg: | 0.7465 | 0.6837 | 0.0407 |
Mg: | 0.4928 | 0.4085 | 0.8773 |
Mg: | 0.1191 | 0.2654 | 0.1977 |
Mg: | 0.4568 | 0.1867 | 0.4904 |
Mg: | 0.6502 | 0.4645 | 0.2489 |
Mg: | 0.8727 | 0.4798 | 0.8799 |
Mg: | 0.0447 | 0.7290 | 0.1804 |
Mg: | 0.8346 | 0.5666 | 0.0164 |
Mg: | 0.5860 | 0.0180 | 0.0443 |
Mg: | 0.0713 | 0.0354 | 0.7615 |
Mg: | 0.4515 | 0.7845 | 0.5997 |
Mg: | 0.0259 | 0.8825 | 0.6168 |
Mg: | 0.0680 | 0.9815 | 0.9788 |
Mg: | 0.8700 | 0.8337 | 0.3462 |
Mg: | 0.1535 | 0.5505 | 0.7643 |
Mg: | 0.0747 | 0.6487 | 0.5900 |
Mg: | 0.3121 | 0.4228 | 0.8938 |
Mg: | 0.6195 | 0.0008 | 0.4151 |
Mg: | 0.4421 | 0.3460 | 0.0278 |
Mg: | 0.5561 | 0.6041 | 0.3652 |
Mg: | 0.0800 | 0.9564 | 0.3743 |
Mg: | 0.9331 | 0.2267 | 0.6807 |
Mg: | 0.6699 | 0.7126 | 0.9764 |
Mg: | 0.1468 | 0.5107 | 0.5045 |
Mg: | 0.4738 | 0.3601 | 0.4691 |
Mg: | 0.8191 | 0.3719 | 0.7329 |
Mg: | 0.5071 | 0.3051 | 0.8407 |
Mg: | 0.9639 | 0.1420 | 0.0880 |
Mg: | 0.9149 | 0.5301 | 0.6833 |
Mg: | 0.1537 | 0.0667 | 0.1639 |
Mg: | 0.5637 | 0.7319 | 0.5100 |
Mg: | 0.1213 | 0.2460 | 0.7367 |
Mg: | 0.0740 | 0.2469 | 0.9404 |
Mg: | 0.8160 | 0.3936 | 0.4024 |
Mg: | 0.8867 | 0.0390 | 0.8454 |
Mg: | 0.3544 | 0.8868 | 0.7038 |
Mg: | 0.4712 | 0.5696 | 0.0679 |
Mg: | 0.4799 | 0.0888 | 0.8390 |
We have listed here the reduced coordinates of all the atoms in the primitive unit cell.
It is enough to know only the position of the atoms from the assymetrical unit cell and then use the symmetry to build the whole crystal structure.
Visualization of the crystal structure:
You can define the size of the supercell to be displayed in the jmol panel as integer translations along the three crystallographic axis.
Please note that the structure is represented using the primitive cell, and not the conventional one.
Please note that the structure is represented using the primitive cell, and not the conventional one.
Dielectric Properties
We define:
- The Born effective charges, also called dynamical charges, are tensors that correspond to the energy derivative with respect to atomic displacements and electric fields or, equivalently, to the change in atomic force due to an electric field: The sum of the Born effective charges of all nuclei in one cell must vanish, element by element, along each of the three directions of the space.
- The dielectric tensors are the energy derivative with respect to two electric fields. They also relate the induced polarization to the external electric field.
Born effective charges (Z):
: | 2.1157 | -0.0015 | -0.0364 |
0.0898 | 2.0098 | 0.1758 | |
0.1273 | 0.2067 | 1.7214 | |
Eig. Value: | 2.1709 | 2.0508 | 1.6252 |
: | 1.9891 | 0.0246 | -0.0106 |
-0.0403 | 2.0501 | -0.0140 | |
0.1276 | -0.1456 | 2.1970 | |
Eig. Value: | 1.9708 | 2.0208 | 2.2446 |
: | 2.2346 | -0.0425 | 0.4323 |
0.0024 | 2.1336 | 0.1935 | |
0.1845 | 0.1066 | 2.0705 | |
Eig. Value: | 2.4890 | 2.1665 | 1.7831 |
H: | 2.0052 | -0.0418 | 0.1279 |
-0.0720 | 2.1210 | -0.0524 | |
0.0229 | -0.0204 | 2.1050 | |
Eig. Value: | 1.9572 | 2.1955 | 2.0786 |
Mg: | 2.4246 | -0.1236 | -0.1254 |
0.0045 | 2.3747 | 0.0446 | |
-0.0029 | 0.0740 | 2.2680 | |
Eig. Value: | 2.4969 | 2.3366 | 2.2338 |
Mg: | 2.1428 | 0.1142 | 0.1120 |
0.0263 | 1.8507 | 0.0783 | |
-0.0263 | 0.1705 | 1.9144 | |
Eig. Value: | 2.1799 | 1.7518 | 1.9762 |
Mg: | 2.0075 | -0.0410 | -0.0497 |
-0.0569 | 2.0389 | 0.0958 | |
-0.0294 | 0.0059 | 1.9759 | |
Eig. Value: | 1.9719 | 2.1064 | 1.9439 |
Mg: | 1.9631 | -0.0676 | 0.0171 |
-0.0421 | 2.1016 | -0.1337 | |
-0.0999 | -0.1303 | 2.0898 | |
Eig. Value: | 1.8953 | 2.2283 | 2.0308 |
Mg: | 1.7273 | -0.0995 | -0.1822 |
-0.1407 | 2.0004 | 0.0223 | |
-0.1425 | 0.0324 | 1.9295 | |
Eig. Value: | 1.6143 | 2.1013 | 1.9415 |
Mg: | 2.1065 | -0.2113 | -0.0325 |
-0.0248 | 2.0476 | -0.1065 | |
0.0713 | -0.0861 | 1.8425 | |
Eig. Value: | 2.2143 | 1.9804 | 1.8019 |
Mg: | 1.8114 | 0.0108 | 0.0650 |
0.0321 | 2.0823 | 0.0435 | |
-0.0045 | 0.0166 | 1.9296 | |
Eig. Value: | 1.8034 | 2.0906 | 1.9293 |
Mg: | 1.8211 | 0.1018 | -0.1703 |
-0.0192 | 1.8645 | -0.0446 | |
0.0207 | 0.0936 | 1.5770 | |
Eig. Value: | 1.8199 | 1.8907 | 1.5519 |
Mg: | 1.9913 | 0.1709 | -0.0931 |
0.1221 | 1.8648 | -0.0584 | |
-0.2174 | 0.0765 | 1.9820 | |
Eig. Value: | 2.1770 | 1.7276 | 1.9334 |
Mg: | 1.9040 | 0.0321 | 0.0839 |
-0.1134 | 2.1895 | -0.0481 | |
0.2171 | 0.1178 | 2.0154 | |
Eig. Value: | 1.7921 | 2.1970 | 2.1198 |
Mg: | 2.2362 | -0.1562 | -0.1130 |
-0.1558 | 1.9118 | -0.1242 | |
-0.0121 | -0.1402 | 2.0672 | |
Eig. Value: | 2.2995 | 1.7758 | 2.1400 |
Mg: | 2.1999 | -0.0566 | -0.0714 |
-0.0635 | 1.8919 | 0.1966 | |
-0.0769 | 0.0035 | 1.8500 | |
Eig. Value: | 2.2342 | 1.9399 | 1.7677 |
Mg: | 2.0243 | 0.0590 | -0.1215 |
0.0687 | 1.9277 | -0.0548 | |
-0.1651 | -0.1336 | 1.8550 | |
Eig. Value: | 2.1537 | 1.8978 | 1.7555 |
Mg: | 2.1508 | 0.3215 | 0.0715 |
0.2553 | 1.8484 | 0.0644 | |
0.1374 | 0.1765 | 2.2348 | |
Eig. Value: | 2.4394 | 1.6694 | 2.1252 |
Mg: | -1.4475 | 0.0780 | 0.1628 |
0.1543 | -1.5319 | -0.0529 | |
0.1527 | 0.0386 | -1.6494 | |
Eig. Value: | -1.3146 | -1.5591 | -1.7551 |
Mg: | -1.4130 | 0.0525 | -0.0314 |
-0.0259 | -1.5072 | -0.1429 | |
0.0457 | -0.0968 | -1.4939 | |
Eig. Value: | -1.4124 | -1.6216 | -1.3801 |
Mg: | -1.4510 | -0.0527 | -0.4424 |
-0.1179 | -1.6402 | -0.1622 | |
-0.2252 | -0.0356 | -1.4956 | |
Eig. Value: | -1.1387 | -1.5689 | -1.8792 |
Mg: | -1.6783 | 0.4304 | -0.1000 |
0.3852 | -1.6974 | -0.0818 | |
-0.0556 | -0.1112 | -2.0231 | |
Eig. Value: | -1.2601 | -2.0995 | -2.0392 |
Mg: | -1.7479 | 0.1959 | 0.1110 |
0.1226 | -1.8378 | -0.0111 | |
0.0427 | -0.0194 | -1.5835 | |
Eig. Value: | -1.6586 | -1.9674 | -1.5430 |
Mg: | -1.5918 | -0.0225 | 0.1154 |
0.2177 | -2.0728 | 0.4398 | |
0.0232 | 0.3593 | -1.6262 | |
Eig. Value: | -1.6368 | -2.3106 | -1.3434 |
Mg: | -1.8046 | -0.0451 | -0.2536 |
0.0304 | -1.6078 | 0.0743 | |
0.0457 | 0.1815 | -2.5488 | |
Eig. Value: | -1.7933 | -1.5886 | -2.5794 |
Mg: | -1.4178 | -0.6352 | 0.1979 |
-0.2167 | -2.5354 | 0.0785 | |
0.1272 | 0.1067 | -1.8402 | |
Eig. Value: | -1.2473 | -2.7022 | -1.8439 |
Mg: | -1.9854 | -0.0719 | 0.0621 |
-0.0118 | -1.9849 | 0.0200 | |
0.0662 | 0.0646 | -1.7068 | |
Eig. Value: | -2.0439 | -1.9441 | -1.6891 |
Mg: | -1.3575 | 0.1627 | -0.0934 |
0.2091 | -1.6822 | -0.0866 | |
-0.0671 | -0.1285 | -1.1175 | |
Eig. Value: | -1.3341 | -1.7733 | -1.0498 |
Mg: | -1.2165 | -0.1734 | -0.0849 |
-0.3397 | -2.1491 | -0.5899 | |
-0.1205 | -0.4390 | -1.4392 | |
Eig. Value: | -1.1345 | -2.4791 | -1.1912 |
Mg: | -1.4092 | -0.0706 | -0.1317 |
0.1367 | -1.4357 | 0.0128 | |
-0.1415 | -0.0571 | -1.2471 | |
Eig. Value: | -1.4929 | -1.4345 | -1.1647 |
Mg: | -1.1189 | 0.1836 | -0.0155 |
0.0389 | -1.2812 | -0.3080 | |
0.1129 | -0.3780 | -1.8280 | |
Eig. Value: | -1.1913 | -1.0339 | -2.0029 |
Mg: | -1.1541 | -0.2994 | -0.1448 |
0.0564 | -2.6270 | -0.2763 | |
0.0020 | -0.5990 | -1.4685 | |
Eig. Value: | -1.1379 | -2.7855 | -1.3263 |
Mg: | -1.4196 | -0.0293 | -0.0766 |
-0.3138 | -1.8574 | 0.2640 | |
0.4526 | 0.3537 | -2.6053 | |
Eig. Value: | -1.3547 | -1.7698 | -2.7579 |
Mg: | -1.9831 | 0.3003 | -0.1127 |
0.3917 | -1.4834 | -0.0596 | |
-0.2477 | 0.0557 | -2.1574 | |
Eig. Value: | -2.3218 | -1.2981 | -2.0041 |
Mg: | -1.7569 | -0.1053 | 0.3251 |
-0.0629 | -1.5668 | -0.1742 | |
0.3388 | 0.0181 | -2.5082 | |
Eig. Value: | -1.7094 | -1.4869 | -2.6356 |
Mg: | -1.3588 | -0.0185 | 0.2095 |
0.0122 | -1.4897 | -0.1062 | |
0.0217 | -0.3227 | -1.5333 | |
Eig. Value: | -1.2368 | -1.3992 | -1.7458 |
Mg: | -1.7502 | 0.2942 | -0.1081 |
0.1766 | -1.3897 | -0.3280 | |
-0.5998 | -0.4171 | -2.2486 | |
Eig. Value: | -1.8387 | -1.0649 | -2.4850 |
Mg: | -1.2039 | 0.2146 | -0.1233 |
0.2874 | -1.5771 | 0.0124 | |
-0.0814 | 0.0127 | -1.5148 | |
Eig. Value: | -1.0613 | -1.7201 | -1.5143 |
Mg: | -1.4537 | 0.0146 | 0.1551 |
0.0700 | -1.4006 | -0.0590 | |
0.2806 | -0.0216 | -1.4849 | |
Eig. Value: | -1.2508 | -1.3892 | -1.6991 |
Mg: | -1.6426 | -0.0909 | 0.3285 |
-0.0929 | -1.5344 | 0.0354 | |
0.2106 | -0.0108 | -1.4221 | |
Eig. Value: | -1.8459 | -1.5178 | -1.2353 |
Mg: | -1.3009 | -0.0235 | 0.1286 |
0.0863 | -1.5516 | 0.3457 | |
-0.2016 | 0.1738 | -1.3952 | |
Eig. Value: | -1.2971 | -1.7496 | -1.2010 |
Mg: | -2.0223 | -0.2099 | -0.2085 |
-0.2428 | -1.7991 | -0.1774 | |
-0.2929 | -0.2458 | -1.9426 | |
Eig. Value: | -2.3967 | -1.6370 | -1.7302 |
Mg: | -1.9435 | 0.3444 | -0.3000 |
0.2474 | -1.6167 | 0.0562 | |
-0.2928 | 0.0580 | -1.7153 | |
Eig. Value: | -2.2678 | -1.3932 | -1.6145 |
Mg: | -1.6814 | 0.1494 | 0.0866 |
0.1479 | -1.6193 | 0.0382 | |
0.0651 | 0.1576 | -1.5159 | |
Eig. Value: | -1.8023 | -1.3830 | -1.6313 |
Mg: | -1.0421 | 0.0832 | 0.0513 |
0.0986 | -1.7173 | -0.1339 | |
0.0198 | 0.0248 | -1.3153 | |
Eig. Value: | -1.0273 | -1.7376 | -1.3099 |
Mg: | -1.4630 | 0.1595 | 0.0324 |
0.2083 | -1.4795 | 0.0079 | |
-0.0088 | -0.0401 | -1.4615 | |
Eig. Value: | -1.2871 | -1.6574 | -1.4595 |
Mg: | -1.5286 | 0.1624 | -0.4626 |
0.3345 | -1.6054 | 0.4174 | |
-1.0488 | 0.4762 | -3.0881 | |
Eig. Value: | -1.2084 | -1.4854 | -3.5283 |
Mg: | -1.9604 | -0.3123 | 0.0974 |
-0.3386 | -1.8615 | 0.0259 | |
0.0144 | -0.0604 | -1.3072 | |
Eig. Value: | -2.2412 | -1.5904 | -1.2976 |
Mg: | -1.1866 | 0.0653 | -0.0125 |
-0.0395 | -1.8138 | 0.2602 | |
-0.0496 | 0.1895 | -1.9789 | |
Eig. Value: | -1.1854 | -1.6569 | -2.1370 |
Mg: | -1.4491 | -0.1544 | -0.0618 |
-0.0246 | -1.4982 | -0.1551 | |
-0.0749 | 0.0268 | -1.7029 | |
Eig. Value: | -1.3800 | -1.5201 | -1.7501 |
Mg: | -1.7524 | -0.1287 | -0.0130 |
-0.1147 | -1.2482 | 0.0552 | |
-0.0265 | 0.0233 | -1.3338 | |
Eig. Value: | -1.7805 | -1.2061 | -1.3478 |
Mg: | -1.7061 | 0.1946 | -0.2151 |
0.1103 | -1.6085 | 0.1078 | |
-0.1728 | 0.1364 | -1.7427 | |
Eig. Value: | -2.0120 | -1.4943 | -1.5511 |
Mg: | -1.5727 | 0.4903 | -0.1493 |
0.2985 | -1.5784 | -0.2279 | |
0.2204 | -0.2813 | -1.0209 | |
Eig. Value: | -1.2606 | -2.0138 | -0.8976 |
Mg: | -1.5507 | -0.0541 | 0.0852 |
-0.1912 | -1.4013 | 0.0931 | |
0.1868 | 0.1123 | -1.5928 | |
Eig. Value: | -1.7762 | -1.3292 | -1.4394 |
Mg: | 0.5602 | -0.1785 | -0.1163 |
-0.2085 | 0.6896 | 0.0785 | |
-0.1183 | 0.0961 | 0.4779 | |
Eig. Value: | 0.3829 | 0.8780 | 0.4668 |
Mg: | 0.2599 | 0.0349 | -0.0483 |
0.0870 | 0.4167 | -0.0978 | |
-0.0653 | -0.1374 | 0.4304 | |
Eig. Value: | 0.2368 | 0.3062 | 0.5641 |
Mg: | 0.6296 | -0.4127 | 0.2121 |
-0.2731 | 0.6033 | -0.2263 | |
0.1567 | -0.2417 | 0.5872 | |
Eig. Value: | 1.1228 | 0.2649 | 0.4325 |
Mg: | 0.3899 | -0.0959 | 0.2967 |
-0.0450 | 0.3769 | -0.0738 | |
0.3820 | -0.3014 | 1.9043 | |
Eig. Value: | 0.3007 | 0.3694 | 2.0011 |
Mg: | 0.8175 | -0.2873 | -0.3545 |
-0.3243 | 0.7879 | -0.1035 | |
-0.3490 | -0.1135 | 0.5819 | |
Eig. Value: | 1.1810 | 0.1993 | 0.8070 |
Mg: | 0.9227 | -0.8601 | -0.1499 |
-0.8704 | 1.5606 | 0.1301 | |
-0.2114 | 0.2166 | 0.3167 | |
Eig. Value: | 0.3537 | 2.1959 | 0.2504 |
Mg: | 0.5427 | -0.1616 | 0.5121 |
-0.1828 | 0.4890 | -0.5872 | |
0.4233 | -0.4780 | 2.0649 | |
Eig. Value: | 0.4148 | 0.3179 | 2.3640 |
Mg: | 0.3905 | -0.0352 | 0.0265 |
-0.0601 | 0.5026 | 0.4800 | |
-0.0013 | 0.4027 | 0.8138 | |
Eig. Value: | 0.4002 | 0.1801 | 1.1266 |
Mg: | 1.3510 | -0.3979 | 0.3549 |
-0.5489 | 0.3478 | -0.1481 | |
0.4140 | -0.1171 | 0.3740 | |
Eig. Value: | 1.6668 | 0.1561 | 0.2499 |
Mg: | 0.4340 | 0.3851 | 0.1393 |
0.4123 | 2.3636 | 0.3613 | |
0.2289 | 0.6236 | 0.4409 | |
Eig. Value: | 0.4193 | 2.5694 | 0.2498 |
Mg: | 0.4142 | 0.0791 | -0.0069 |
-0.0940 | 1.6238 | -0.4971 | |
0.0785 | -0.5936 | 0.4745 | |
Eig. Value: | 0.4196 | 1.8417 | 0.2512 |
Mg: | 0.4595 | -0.0805 | -0.0259 |
-0.0002 | 0.5000 | -0.0070 | |
0.0187 | 0.0249 | 0.3791 | |
Eig. Value: | 0.4347 | 0.5255 | 0.3785 |
Mg: | 0.1211 | -0.1594 | -0.0962 |
-0.0756 | 0.6506 | 0.1061 | |
-0.0349 | 0.0552 | 0.4347 | |
Eig. Value: | 0.0894 | 0.7073 | 0.4097 |
Mg: | 0.6252 | -0.0181 | 0.0984 |
-0.1839 | 0.7922 | 0.4122 | |
-0.0377 | 0.3719 | 0.6913 | |
Eig. Value: | 0.6457 | 1.1432 | 0.3199 |
Mg: | 1.2805 | 0.1279 | -0.1243 |
0.0524 | 0.7219 | -0.1398 | |
-0.0287 | -0.0751 | 0.3424 | |
Eig. Value: | 1.3036 | 0.7298 | 0.3113 |
Mg: | 0.3770 | -0.0445 | 0.1465 |
-0.0607 | 0.3073 | 0.1620 | |
0.2041 | 0.2267 | 0.9869 | |
Eig. Value: | 0.4017 | 0.1955 | 1.0740 |
Mg: | 0.4165 | 0.1246 | -0.0370 |
0.1151 | 0.3211 | -0.1485 | |
0.0001 | -0.3212 | 0.9128 | |
Eig. Value: | 0.4619 | 0.1881 | 1.0004 |
Mg: | 0.4165 | -0.0974 | 0.0163 |
-0.0100 | 0.7982 | 0.0351 | |
0.0964 | -0.0466 | 0.6320 | |
Eig. Value: | 0.3963 | 0.8067 | 0.6438 |
Mg: | 0.3419 | 0.2415 | 0.0210 |
0.0667 | 0.1096 | 0.0155 | |
0.0060 | -0.0389 | 0.4341 | |
Eig. Value: | 0.4162 | 0.0320 | 0.4374 |
Mg: | 0.7159 | -0.0650 | 0.0175 |
-0.1377 | 0.4963 | -0.0332 | |
0.0353 | -0.0292 | 0.3946 | |
Eig. Value: | 0.7591 | 0.4619 | 0.3858 |
Mg: | 0.6038 | 0.0784 | 0.0636 |
0.2137 | 0.3225 | -0.0269 | |
-0.1941 | -0.0943 | 0.2819 | |
Eig. Value: | 0.6834 | 0.2327 | 0.2920 |
Mg: | 0.7538 | -0.0179 | 0.1189 |
-0.0068 | 0.4105 | -0.1134 | |
0.0883 | -0.1727 | 0.3744 | |
Eig. Value: | 0.7870 | 0.5132 | 0.2385 |
Mg: | 0.2118 | 0.0099 | -0.0473 |
-0.0242 | 0.5048 | 0.0221 | |
0.1171 | 0.0660 | 0.2975 | |
Eig. Value: | 0.1978 | 0.5138 | 0.3025 |
Mg: | 0.3004 | -0.0821 | -0.0354 |
-0.0877 | 1.8886 | 0.0879 | |
-0.0237 | 0.2859 | 0.3628 | |
Eig. Value: | 0.2885 | 1.9160 | 0.3473 |
Mg: | 0.2312 | 0.0220 | -0.0148 |
-0.0879 | 0.6466 | 0.2987 | |
-0.0549 | 0.2139 | 0.5658 | |
Eig. Value: | 0.2274 | 0.8692 | 0.3469 |
Mg: | 0.5937 | -0.0286 | -0.3692 |
-0.0461 | 0.3018 | 0.0541 | |
-0.4443 | 0.0309 | 0.7687 | |
Eig. Value: | 0.2650 | 0.2980 | 1.1012 |
Mg: | 0.3992 | 0.0788 | -0.0787 |
0.1001 | 0.4790 | -0.0258 | |
-0.2159 | -0.0043 | 0.6987 | |
Eig. Value: | 0.3039 | 0.5056 | 0.7673 |
Mg: | 0.3612 | 0.0542 | -0.0268 |
-0.0570 | 0.4350 | 0.0738 | |
-0.0150 | 0.0656 | 0.6471 | |
Eig. Value: | 0.3595 | 0.4146 | 0.6693 |
Mg: | 0.4133 | -0.1867 | -0.1889 |
-0.1475 | 0.5220 | 0.4062 | |
-0.1706 | 0.5670 | 1.6359 | |
Eig. Value: | 0.4525 | 0.2643 | 1.8544 |
Mg: | 0.2407 | 0.0990 | 0.1056 |
0.1459 | 0.4721 | -0.1620 | |
-0.0143 | -0.1687 | 0.8068 | |
Eig. Value: | 0.1683 | 0.4765 | 0.8747 |
Mg: | 0.6974 | 0.6432 | -0.0262 |
0.4430 | 1.0035 | 0.0157 | |
-0.0164 | 0.1009 | 0.3062 | |
Eig. Value: | 0.2427 | 1.4157 | 0.3487 |
Mg: | 0.6927 | 0.4246 | 0.2316 |
0.4422 | 0.5390 | 0.3686 | |
0.2609 | 0.3071 | 0.4104 | |
Eig. Value: | 1.2535 | 0.1014 | 0.2872 |
Mg: | 0.5178 | 0.0932 | 0.0488 |
0.1157 | 0.4390 | -0.0305 | |
0.0492 | -0.0011 | 0.4043 | |
Eig. Value: | 0.5954 | 0.3394 | 0.4263 |
Mg: | 0.1835 | -0.0564 | -0.3048 |
-0.0321 | 0.3105 | 0.5304 | |
-0.1176 | 0.4300 | 2.0757 | |
Eig. Value: | 0.1579 | 0.1910 | 2.2207 |
Mg: | 0.6774 | -0.2688 | 0.4009 |
-0.2769 | 0.6135 | -0.1097 | |
0.4131 | -0.1057 | 0.6421 | |
Eig. Value: | 1.1965 | 0.2131 | 0.5233 |
Mg: | 0.3225 | -0.0333 | 0.3300 |
0.0867 | 0.6322 | -0.5975 | |
0.2871 | -0.7741 | 2.0776 | |
Eig. Value: | 0.1793 | 0.4646 | 2.3884 |
Dielectric tensors:
X | Y | Z | |
Ɛ∞: | 0.0000 | 0.0000 | 0.0000 |
0.0000 | 0.0000 | 0.0000 | |
0.0000 | 0.0000 | 0.0000 | |
Eig. Value: | 0.0000 | 0.0000 | 0.0000 |
Refractive index (N): | 0.0000 | 0.0000 | 0.0000 |
0.0000 | 0.0000 | 0.0000 | |
0.0000 | 0.0000 | 0.0000 | |
Eig. Value: | 0.0000 | 0.0000 | 0.0000 |
Ɛ0: | 0.0000 | 0.0000 | 0.0000 |
0.0000 | 0.0000 | 0.0000 | |
0.0000 | 0.0000 | 0.0000 | |
Eig. Value: | 0.0000 | 0.0000 | 0.0000 |