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{
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{
"id": "jvasp-112601",
"created_at": "2022-09-04T14:38:41.692268Z",
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"structure_string": "Ca2 Al2 Si2 O10\n1.0\n5.252067 -0.002593 1.227906\n-1.901257 4.895860 1.227906\n0.020643 0.030146 6.975509\nCa Al Si O\n2 2 2 10\ndirect\n0.673158 0.326843 0.750001 Ca\n0.326842 0.673158 0.250001 Ca\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.316054 0.683947 0.750001 Si\n0.683946 0.316055 0.250001 Si\n0.938195 0.061807 0.750000 O\n0.061805 0.938195 0.250001 O\n0.307131 0.884321 0.893776 O\n0.692869 0.115681 0.106225 O\n0.115680 0.692869 0.606225 O\n0.884320 0.307132 0.393776 O\n0.632136 0.757262 0.600988 O\n0.367864 0.242740 0.399013 O\n0.242739 0.367865 0.899013 O\n0.757261 0.632137 0.100988 O\n",
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{
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"structure_string": "Li4 Ta4 Si4 O20\n1.0\n7.517398 -0.014904 0.000000\n-3.701996 6.552322 0.000000\n0.000000 0.000000 7.917233\nLi Ta Si O\n4 4 4 20\ndirect\n0.751130 0.308654 0.434216 Li\n0.248870 0.691346 0.565783 Li\n0.751130 0.808654 0.065783 Li\n0.248870 0.191347 0.934216 Li\n0.748430 0.007466 0.739446 Ta\n0.748430 0.507466 0.760553 Ta\n0.251570 0.992534 0.260553 Ta\n0.251570 0.492534 0.239447 Ta\n0.749575 0.740498 0.387928 Si\n0.749575 0.240499 0.112072 Si\n0.250425 0.259502 0.612072 Si\n0.250425 0.759502 0.887928 Si\n0.055368 0.649533 0.757968 O\n0.245033 0.935133 0.006957 O\n0.055368 0.149533 0.742031 O\n0.260639 0.588730 0.010535 O\n0.248950 0.247206 0.171812 O\n0.754967 0.564867 0.506957 O\n0.751050 0.752794 0.828187 O\n0.245033 0.435133 0.493043 O\n0.739361 0.411271 0.989464 O\n0.751050 0.252795 0.671812 O\n0.944632 0.350467 0.242031 O\n0.260640 0.088730 0.489464 O\n0.754967 0.064868 0.993043 O\n0.739360 0.911271 0.510535 O\n0.557332 0.148172 0.245540 O\n0.944632 0.850467 0.257968 O\n0.248950 0.747206 0.328187 O\n0.442668 0.851828 0.754459 O\n0.442668 0.351828 0.745540 O\n0.557332 0.648172 0.254459 O\n",
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"formula_full": "Li4 Ta4 Si4 O20",
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{
"id": "jvasp-23304",
"created_at": "2022-09-04T14:37:46.669817Z",
"updated_at": "2022-09-04T14:37:46.669843Z",
"structure_string": "Li4 V4 As4 O20\n1.0\n6.548522 -0.000000 0.000000\n0.000000 7.486835 0.000000\n0.000000 0.000000 7.547034\nLi V As O\n4 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.663422 0.227388 V\n0.750000 0.836579 0.727388 V\n0.250000 0.163422 0.272612 V\n0.750000 0.336578 0.772611 V\n0.750000 0.626690 0.127770 As\n0.750000 0.126689 0.372229 As\n0.250000 0.373311 0.872229 As\n0.250000 0.873311 0.627770 As\n0.750000 0.617785 0.677451 O\n0.250000 0.066124 0.504455 O\n0.750000 0.933876 0.495544 O\n0.250000 0.680497 0.501210 O\n0.750000 0.433876 0.004456 O\n0.750000 0.819504 0.001210 O\n0.541799 0.126040 0.231698 O\n0.250000 0.382215 0.322549 O\n0.750000 0.117785 0.822548 O\n0.958200 0.126040 0.231698 O\n0.041799 0.873960 0.768302 O\n0.458201 0.373960 0.731697 O\n0.958200 0.626041 0.268302 O\n0.458201 0.873960 0.768302 O\n0.250000 0.566124 0.995545 O\n0.541799 0.626041 0.268302 O\n0.041799 0.373960 0.731697 O\n0.250000 0.180497 -0.001210 O\n0.250000 0.882216 0.177451 O\n0.750000 0.319504 0.498790 O\n",
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],
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"formula_full": "Li4 V4 As4 O20",
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{
"id": "jvasp-56641",
"created_at": "2022-09-04T14:38:33.489325Z",
"updated_at": "2022-09-04T14:38:33.489347Z",
"structure_string": "V2 Bi2 Pb2 O10\n1.0\n5.723814 -0.027385 0.060238\n-2.768294 6.696620 -0.039013\n-0.913116 -2.614649 6.667820\nV Bi Pb O\n2 2 2 10\ndirect\n0.426379 0.698754 0.622039 V\n0.730452 0.389096 0.923279 V\n0.005119 0.019084 0.018014 Bi\n0.151722 0.068763 0.527292 Bi\n0.764963 0.359632 0.391705 Pb\n0.391889 0.728221 0.153601 Pb\n0.321308 0.063198 0.269979 O\n0.941318 0.331295 0.068376 O\n0.911486 0.658482 0.959563 O\n0.631052 0.229693 0.669265 O\n0.835537 0.024653 0.275316 O\n0.525764 0.858171 0.876049 O\n0.695883 0.736533 0.529928 O\n0.460966 0.351321 0.015412 O\n0.215521 0.756544 0.476921 O\n0.245338 0.429369 0.585767 O\n",
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{
"id": "jvasp-97389",
"created_at": "2022-09-04T14:35:51.348805Z",
"updated_at": "2022-09-04T14:35:51.348828Z",
"structure_string": "Al4 Fe4 P4 O20\n1.0\n5.480674 0.006217 0.000007\n-1.055706 7.100451 -0.000014\n0.000017 -0.000018 10.477460\nAl Fe P O\n4 4 4 20\ndirect\n0.546324 0.360085 0.174596 Al\n0.953676 0.639916 0.674597 Al\n0.046323 0.360084 0.325403 Al\n0.453677 0.639915 0.825405 Al\n0.102320 0.016837 0.142019 Fe\n0.897679 0.983164 0.857982 Fe\n0.602318 0.016837 0.357981 Fe\n0.397681 0.983163 0.642019 Fe\n0.441624 0.221794 0.901852 P\n0.558374 0.778206 0.098149 P\n0.941626 0.221793 0.598148 P\n0.058373 0.778207 0.401852 P\n0.603607 0.607711 0.179230 O\n0.396391 0.392289 0.820771 O\n0.896392 0.392288 0.679229 O\n0.103606 0.607712 0.320771 O\n0.691425 0.117756 0.548116 O\n0.259824 0.727616 0.715013 O\n0.240176 0.272385 0.215014 O\n0.108281 0.288187 0.482791 O\n0.391718 0.711812 0.982792 O\n0.891718 0.711813 0.517209 O\n0.608281 0.288188 0.017209 O\n0.429436 0.913971 0.180864 O\n0.070565 0.086029 0.680862 O\n0.570564 0.086029 0.819137 O\n0.929435 0.913971 0.319139 O\n0.191423 0.117756 0.951884 O\n0.308574 0.882244 0.451885 O\n0.808575 0.882244 0.048117 O\n0.759825 0.727615 0.784986 O\n0.740175 0.272384 0.284987 O\n",
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{
"id": "jvasp-59409",
"created_at": "2022-09-04T14:38:06.627029Z",
"updated_at": "2022-09-04T14:38:06.627054Z",
"structure_string": "Zn4 Bi4 As4 O20\n1.0\n7.629750 0.000000 0.000000\n0.000000 6.852818 0.000000\n0.000000 0.000000 8.724922\nZn Bi As O\n4 4 4 20\ndirect\n-0.031312 0.617442 0.205169 Zn\n0.531312 0.382559 0.705169 Zn\n0.031312 0.117442 0.294831 Zn\n0.468688 0.882559 0.794831 Zn\n0.284755 0.677169 0.491955 Bi\n0.215245 0.322832 -0.008045 Bi\n0.715245 0.177169 0.008045 Bi\n0.784755 0.822832 0.508045 Bi\n0.961398 0.340026 0.638153 As\n0.538602 0.659975 0.138153 As\n0.461398 0.159975 0.361847 As\n0.038602 0.840026 0.861847 As\n0.339802 0.640497 0.227686 O\n0.477886 0.162536 0.841882 O\n0.022114 0.837465 0.341882 O\n0.790905 0.338531 0.766323 O\n0.709095 0.661469 0.266323 O\n0.209095 0.838531 0.733677 O\n0.290905 0.161469 0.233677 O\n0.160198 0.359503 0.727685 O\n0.839802 0.859503 0.772314 O\n-0.050999 0.543867 0.521298 O\n0.952044 0.140872 0.518868 O\n0.547956 0.859129 0.018868 O\n0.047956 0.640872 0.981132 O\n0.452044 0.359128 0.481132 O\n-0.022114 0.337464 0.158118 O\n0.550999 0.456133 0.021298 O\n0.050999 0.043867 0.978701 O\n0.449001 0.956134 0.478701 O\n0.660198 0.140497 0.272314 O\n0.522114 0.662536 0.658118 O\n",
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{
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"created_at": "2022-09-04T14:37:36.956563Z",
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"structure_string": "Sr1 Fe1 Mo1 O5\n1.0\n4.621724 0.145252 -0.174955\n-0.125061 4.600731 0.007000\n-2.210961 -2.245343 5.266206\nSr Fe Mo O\n1 1 1 5\ndirect\n0.304973 0.244559 0.497969 Sr\n0.927758 0.932065 0.870196 Fe\n0.550591 0.563002 0.117125 Mo\n0.869344 0.859200 0.144670 O\n0.671541 0.243906 0.906100 O\n0.682505 0.765063 0.488240 O\n0.213836 0.638539 0.857359 O\n0.276548 0.250766 0.112538 O\n",
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{
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"updated_at": "2022-09-04T14:35:58.670768Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242110 0.018154 -0.832651\n-0.494071 6.775537 -2.004865\n0.006859 -0.022367 9.109070\nTi Tl P S\n2 2 2 10\ndirect\n0.502336 0.276917 0.000818 Ti\n0.497664 0.723082 0.999182 Ti\n0.725279 0.685059 0.450929 Tl\n0.274722 0.314940 0.549070 Tl\n0.277292 0.895436 0.729093 P\n0.722708 0.104564 0.270906 P\n0.155971 0.692602 0.826389 S\n0.332399 0.543734 0.132522 S\n0.397101 0.061706 0.175279 S\n0.602899 0.938293 0.824720 S\n0.159285 0.163871 0.831310 S\n0.772791 0.188061 0.501786 S\n0.667601 0.456265 0.867478 S\n0.227209 0.811938 0.498213 S\n0.840715 0.836128 0.168690 S\n0.844029 0.307397 0.173610 S\n",
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{
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"created_at": "2022-09-04T14:37:56.995457Z",
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"structure_string": "Li2 V2 P2 O10\n1.0\n0.000000 5.842740 0.000000\n-7.313700 2.921371 0.117111\n-0.810019 0.000000 4.903661\nLi V P O\n2 2 2 10\ndirect\n0.135994 0.728012 0.052249 Li\n0.864006 0.271988 0.947751 Li\n0.221100 0.000000 0.500000 V\n0.778899 0.000000 0.500000 V\n0.642037 0.715924 0.719522 P\n0.357963 0.284076 0.280478 P\n0.376115 0.805691 0.823898 O\n0.818193 0.805691 0.823898 O\n0.051764 0.896473 0.315779 O\n0.581795 0.836410 0.415294 O\n0.744389 0.511221 0.755517 O\n0.255611 0.488779 0.244483 O\n0.418205 0.163590 0.584705 O\n0.948236 0.103527 0.684221 O\n0.181807 0.194309 0.176102 O\n0.623884 0.194309 0.176102 O\n",
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"formula_full": "Li2 V2 P2 O10",
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{
"id": "jvasp-9526",
"created_at": "2022-09-04T14:37:18.819137Z",
"updated_at": "2022-09-04T14:37:18.819164Z",
"structure_string": "Zn2 Cr2 S2 F10\n1.0\n5.970665 -1.105257 0.080465\n0.614326 6.799544 1.162688\n1.889676 2.109252 6.592397\nZn Cr S F\n2 2 2 10\ndirect\n0.527563 0.347278 0.859624 Zn\n0.127411 -0.012986 0.475416 Zn\n0.043869 0.479792 0.454361 Cr\n0.029557 0.462118 -0.030769 Cr\n0.341154 0.045320 0.843124 S\n0.461595 0.144291 0.532629 S\n0.115158 0.192619 0.160724 F\n-0.073368 0.172191 0.555780 F\n0.955129 0.729019 0.772441 F\n0.187004 0.781215 0.359007 F\n0.339679 0.444040 0.344439 F\n0.706463 0.312541 0.065522 F\n0.749018 0.529373 0.560714 F\n0.358873 0.582249 0.855790 F\n0.982112 0.563906 0.178894 F\n0.080800 0.376260 0.745185 F\n",
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{
"id": "jvasp-96852",
"created_at": "2022-09-04T14:36:05.751470Z",
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"formula_full": "V8 In8 Cu8 O40",
"formula_reduced": "VInCuO5",
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},
{
"id": "jvasp-8428",
"created_at": "2022-09-04T14:37:18.150686Z",
"updated_at": "2022-09-04T14:37:18.150705Z",
"structure_string": "Ba1 Cu1 W1 O5\n1.0\n3.830790 0.000000 0.000000\n-0.000000 3.830790 0.000000\n-0.000000 0.000000 7.991873\nBa Cu W O\n1 1 1 5\ndirect\n0.000000 0.000000 0.047611 Ba\n0.500000 0.500000 0.301342 Cu\n0.500000 0.500000 0.670742 W\n0.000000 0.500000 0.643825 O\n0.500000 0.000000 0.643825 O\n0.000000 0.500000 0.260885 O\n0.500000 0.000000 0.260885 O\n0.500000 0.500000 0.894730 O\n",
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],
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"volume": 117.28035285770014,
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"formula_full": "Ba1 Cu1 W1 O5",
"formula_reduced": "BaCuWO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 99
}
]
}