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{
"id": "jvasp-46292",
"created_at": "2022-09-04T14:38:11.876647Z",
"updated_at": "2022-09-04T14:38:11.876677Z",
"structure_string": "Li2 Mn2 B2 O6\n1.0\n5.161043 -0.003019 -0.028621\n-2.539287 4.535444 0.015874\n-2.391102 -1.364656 5.267420\nLi Mn B O\n2 2 2 6\ndirect\n0.445351 0.376928 0.680356 Li\n0.554647 0.623070 0.319644 Li\n0.160716 0.747990 0.763994 Mn\n0.839282 0.252008 0.236006 Mn\n0.813763 0.075102 0.739883 B\n0.186235 0.924896 0.260116 B\n0.047997 0.311501 0.686783 O\n0.620447 0.127054 0.821647 O\n0.759997 0.787578 0.702415 O\n0.240001 0.212420 0.297584 O\n0.379551 0.872944 0.178353 O\n0.952001 0.688497 0.313216 O\n",
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{
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"structure_string": "Li4 V4 O4 F12\n1.0\n4.440173 -0.025613 -0.000049\n-0.166395 11.446259 -0.000070\n0.000068 0.000031 4.780455\nLi V O F\n4 4 4 12\ndirect\n0.010869 0.055372 0.253292 Li\n0.989128 0.944628 0.746709 Li\n0.510870 0.555373 0.246707 Li\n0.489130 0.444628 0.753289 Li\n0.030352 0.684843 0.724265 V\n0.969648 0.315156 0.275735 V\n0.469645 0.815156 0.224266 V\n0.530352 0.184843 0.775736 V\n0.740743 0.298325 0.565503 O\n0.759256 0.201675 0.065503 O\n0.240743 0.798325 0.934495 O\n0.259254 0.701675 0.434495 O\n0.747090 0.931536 0.092202 F\n0.237905 0.193529 0.428113 F\n0.252908 0.068464 0.907798 F\n0.259432 0.933128 0.413002 F\n0.240565 0.566871 0.913001 F\n0.247091 0.431536 0.407797 F\n0.262097 0.306471 0.928112 F\n0.737903 0.693529 0.071888 F\n0.759433 0.433129 0.086995 F\n0.752907 0.568464 0.592199 F\n0.740566 0.066871 0.586997 F\n0.762094 0.806472 0.571887 F\n",
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{
"id": "jvasp-40548",
"created_at": "2022-09-04T14:37:55.961067Z",
"updated_at": "2022-09-04T14:37:55.961080Z",
"structure_string": "Rb2 U2 Au2 Se6\n1.0\n4.185279 -0.000000 -0.000000\n2.092640 7.550686 -0.000135\n-0.000000 -0.000291 10.735672\nRb U Au Se\n2 2 2 6\ndirect\n0.251384 0.497230 0.249995 Rb\n0.748616 0.502769 0.750005 Rb\n0.000000 0.000000 0.000000 U\n-0.000000 0.000000 0.500000 U\n0.547728 0.904546 0.249991 Au\n0.452272 0.095453 0.750009 Au\n0.628342 0.743316 0.038839 Se\n0.933070 0.133860 0.250004 Se\n0.628338 0.743323 0.461137 Se\n0.371662 0.256676 0.538862 Se\n0.066930 0.866142 0.749996 Se\n0.371658 0.256685 0.961161 Se\n",
"nsites": 12,
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"spacegroup": 63
},
{
"id": "jvasp-41445",
"created_at": "2022-09-04T14:37:39.177766Z",
"updated_at": "2022-09-04T14:37:39.177799Z",
"structure_string": "Tm2 Cu2 Pb2 Se6\n1.0\n-4.034908 -0.000439 0.000063\n2.018023 6.779784 0.041854\n-0.000154 -0.153614 -10.453073\nTm Cu Pb Se\n2 2 2 6\ndirect\n0.500691 0.501527 0.497257 Tm\n0.500675 0.501499 0.997259 Tm\n0.968197 0.437887 0.247664 Cu\n0.033571 0.565016 0.746987 Cu\n0.744945 0.987775 0.754079 Pb\n0.256654 0.015313 0.240489 Pb\n0.860660 0.221683 0.432870 Se\n0.861172 0.222682 0.054110 Se\n0.140180 0.780326 0.940432 Se\n0.140662 0.781259 0.561719 Se\n0.579671 0.660165 0.249215 Se\n0.421873 0.342809 0.745285 Se\n",
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{
"id": "jvasp-28674",
"created_at": "2022-09-04T14:37:38.361225Z",
"updated_at": "2022-09-04T14:37:38.361253Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224176 0.000000 -0.000000\n-1.612087 2.792172 -0.000013\n-0.000000 -0.000144 34.130623\nMo W Se S\n2 2 2 6\ndirect\n0.333309 0.666619 0.095931 Mo\n0.333320 0.666639 0.469331 Mo\n0.666681 0.333360 0.280253 W\n0.666690 0.333377 0.657393 W\n0.666638 0.333273 0.419203 Se\n0.666679 0.333355 0.519467 Se\n0.333349 0.666699 0.326147 S\n0.333334 0.666668 0.703204 S\n0.666639 0.333274 0.050347 S\n0.666656 0.333310 0.141568 S\n0.333337 0.666676 0.234368 S\n0.333374 0.666750 0.611538 S\n",
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{
"id": "jvasp-28814",
"created_at": "2022-09-04T14:37:54.374402Z",
"updated_at": "2022-09-04T14:37:54.374414Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.386680 -0.000020 -0.000054\n-1.693358 2.932761 -0.000002\n-0.000564 -0.000369 34.752675\nTe Mo W Se\n2 2 2 6\ndirect\n0.333511 0.666874 0.721316 Te\n0.333440 0.666803 0.612467 Te\n0.333026 0.666306 0.090575 Mo\n0.666788 0.333558 0.278691 Mo\n0.333398 0.666670 0.466716 W\n0.666754 0.333402 0.666939 W\n0.333528 0.666989 0.326252 Se\n0.666187 0.332670 0.043065 Se\n0.666889 0.333691 0.418922 Se\n0.666417 0.333066 0.138159 Se\n0.666657 0.333163 0.514527 Se\n0.333404 0.666805 0.231120 Se\n",
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{
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"created_at": "2022-09-04T14:37:56.848001Z",
"updated_at": "2022-09-04T14:37:56.848031Z",
"structure_string": "Bi4 Te4 I4 O12\n1.0\n7.100558 0.000000 0.000000\n0.000000 7.809202 -2.012399\n0.000000 0.032756 9.144858\nBi Te I O\n4 4 4 12\ndirect\n0.133426 0.672709 0.405855 Bi\n0.866574 0.327291 0.594146 Bi\n0.633426 0.827291 0.594145 Bi\n0.366574 0.172710 0.405855 Bi\n0.820261 0.993294 0.261175 Te\n0.179739 0.006706 0.738825 Te\n0.679739 0.493295 0.261175 Te\n0.320261 0.506706 0.738825 Te\n0.659710 0.145802 0.869862 I\n0.840291 0.645802 0.869862 I\n0.340290 0.854198 0.130138 I\n0.159710 0.354198 0.130138 I\n0.879710 0.770782 0.287116 O\n0.506705 0.375001 0.611034 O\n0.651691 0.031341 0.434773 O\n0.151690 0.468660 0.565227 O\n0.120290 0.229218 0.712885 O\n0.006705 0.124999 0.388967 O\n0.348310 0.968659 0.565227 O\n0.993296 0.875001 0.611034 O\n0.620290 0.270782 0.287116 O\n0.848310 0.531341 0.434773 O\n0.493296 0.624999 0.388966 O\n0.379710 0.729218 0.712884 O\n",
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{
"id": "jvasp-29160",
"created_at": "2022-09-04T14:37:55.509979Z",
"updated_at": "2022-09-04T14:37:55.510004Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.290984 0.000000 0.000000\n-1.645492 2.850119 0.000059\n0.000000 0.000713 34.445938\nMo W Se S\n2 2 6 2\ndirect\n0.333335 0.666670 0.095120 Mo\n0.666691 0.333383 0.659670 Mo\n0.333348 0.666695 0.467127 W\n0.666621 0.333245 0.281001 W\n0.333343 0.666688 0.708569 Se\n0.666683 0.333366 0.046221 Se\n0.666692 0.333384 0.417902 Se\n0.666664 0.333329 0.144066 Se\n0.666671 0.333343 0.516366 Se\n0.333366 0.666734 0.610711 Se\n0.333280 0.666562 0.325788 S\n0.333298 0.666598 0.236209 S\n",
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{
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"created_at": "2022-09-04T14:37:39.101424Z",
"updated_at": "2022-09-04T14:37:39.101450Z",
"structure_string": "Te2 Mo2 W2 S6\n1.0\n3.283278 0.000000 0.000000\n-1.641639 2.843267 -0.000003\n0.000000 -0.000029 36.950825\nTe Mo W S\n2 2 2 6\ndirect\n0.333357 0.666714 0.709519 Te\n0.333354 0.666711 0.605441 Te\n0.333350 0.666699 0.093940 Mo\n0.666676 0.333353 0.657634 Mo\n0.333315 0.666630 0.469589 W\n0.666681 0.333361 0.281820 W\n0.333357 0.666715 0.323697 S\n0.666635 0.333268 0.052497 S\n0.666642 0.333283 0.427707 S\n0.666635 0.333269 0.135587 S\n0.666644 0.333287 0.511418 S\n0.333357 0.666715 0.239897 S\n",
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{
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"created_at": "2022-09-04T14:38:02.723060Z",
"updated_at": "2022-09-04T14:38:02.723078Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n5.995988 -0.000000 0.000000\n0.000000 5.995988 0.000000\n0.000000 0.000000 8.124287\nLi V O F\n4 4 4 12\ndirect\n0.245736 0.253912 0.385882 Li\n0.253912 0.754265 0.135882 Li\n0.746089 0.245736 0.635882 Li\n0.754265 0.746089 0.885882 Li\n0.014148 0.264445 0.016646 V\n0.264445 0.985853 0.766646 V\n0.735555 0.014148 0.266646 V\n0.985853 0.735555 0.516646 V\n0.776137 0.969333 0.476287 O\n0.969333 0.223863 0.226287 O\n0.030667 0.776137 0.726287 O\n0.223863 0.030667 0.976287 O\n0.787888 0.462961 0.960636 F\n0.015889 0.221196 0.759546 F\n0.212112 0.537039 0.460636 F\n0.220964 0.490726 0.021036 F\n0.221196 0.984112 0.509545 F\n0.462961 0.212112 0.710636 F\n0.490726 0.779036 0.771036 F\n0.509274 0.220964 0.271036 F\n0.537039 0.787888 0.210636 F\n0.778805 0.015889 0.009545 F\n0.779036 0.509274 0.521036 F\n0.984112 0.778805 0.259545 F\n",
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{
"id": "jvasp-95445",
"created_at": "2022-09-04T14:36:22.141084Z",
"updated_at": "2022-09-04T14:36:22.141119Z",
"structure_string": "K2 Eu2 Pd2 O6\n1.0\n3.919449 -0.000000 -0.000000\n-1.959724 6.359602 -1.640037\n-0.000000 0.007496 7.343541\nK Eu Pd O\n2 2 2 6\ndirect\n0.355522 0.711041 0.436598 K\n0.644480 0.288960 0.563402 K\n0.649737 0.299473 0.076825 Eu\n0.350264 0.700527 0.923175 Eu\n0.992908 0.985814 0.228410 Pd\n0.007093 0.014186 0.771589 Pd\n0.829293 0.658584 0.132433 O\n0.846751 0.693500 0.724526 O\n0.493739 0.987476 0.188457 O\n0.506262 0.012524 0.811543 O\n0.170709 0.341417 0.867567 O\n0.153251 0.306501 0.275473 O\n",
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{
"id": "jvasp-99971",
"created_at": "2022-09-04T14:36:35.725268Z",
"updated_at": "2022-09-04T14:36:35.725283Z",
"structure_string": "La1 Mn1 Al1 Ni3\n1.0\n5.293505 -0.000000 -0.000000\n-2.646753 4.584309 0.000000\n0.000000 -0.000000 3.880507\nLa Mn Al Ni\n1 1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.000000 Mn\n0.333333 0.666667 0.000000 Al\n0.501202 0.002405 0.500000 Ni\n0.997595 0.498798 0.500000 Ni\n0.501202 0.498798 0.500000 Ni\n",
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],
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}
]
}