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{
"id": "jvasp-10339",
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"updated_at": "2022-09-04T14:37:28.654452Z",
"structure_string": "Zn2 Mo4 O10\n1.0\n3.729885 -0.000000 0.000000\n-1.864942 5.348269 -0.000000\n-0.000000 -0.000000 11.293585\nZn Mo O\n2 4 10\ndirect\n0.889625 0.779245 0.750000 Zn\n0.110378 0.220756 0.250000 Zn\n0.188054 0.376107 0.600741 Mo\n0.811948 0.623894 0.399258 Mo\n0.811948 0.623894 0.100742 Mo\n0.188054 0.376107 0.899259 Mo\n0.694232 0.388464 0.250000 O\n0.305770 0.611537 0.750000 O\n0.239691 0.479379 0.075778 O\n0.760313 0.520622 0.924221 O\n0.760313 0.520622 0.575778 O\n0.239691 0.479379 0.424221 O\n0.027942 0.055883 0.625817 O\n0.972060 0.944117 0.374182 O\n0.027942 0.055883 0.874182 O\n0.972060 0.944117 0.125818 O\n",
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{
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"updated_at": "2022-09-04T14:37:28.719281Z",
"structure_string": "Zn2 Cr4 O10\n1.0\n3.583366 0.000000 0.000000\n-1.791683 4.995542 -0.000000\n0.000000 0.000000 11.349427\nZn Cr O\n2 4 10\ndirect\n0.911723 0.823441 0.750000 Zn\n0.088280 0.176559 0.250000 Zn\n0.212884 0.425767 0.597412 Cr\n0.787119 0.574233 0.402588 Cr\n0.787119 0.574233 0.097413 Cr\n0.212884 0.425767 0.902589 Cr\n0.695589 0.391175 0.250000 O\n0.304414 0.608826 0.750000 O\n0.227906 0.455810 0.073898 O\n0.772098 0.544191 0.926102 O\n0.772098 0.544191 0.573898 O\n0.227906 0.455810 0.426101 O\n0.049485 0.098970 0.626378 O\n0.950516 0.901028 0.373622 O\n0.049485 0.098970 0.873622 O\n0.950516 0.901028 0.126379 O\n",
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"density_atomic": 0.07875393512392505,
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"volume_molar": 7.646780761524772,
"formula_full": "Zn2 Cr4 O10",
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{
"id": "jvasp-9929",
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"updated_at": "2022-09-04T14:37:28.826018Z",
"structure_string": "Zn2 Sn4 O8\n1.0\n3.209301 0.000000 0.000000\n-1.604650 5.356764 -0.000000\n0.000000 -0.000000 10.855917\nZn Sn O\n2 4 8\ndirect\n0.393841 0.787684 0.750000 Zn\n0.606158 0.212316 0.250000 Zn\n0.868479 0.736960 0.077487 Sn\n0.131521 0.263039 0.922513 Sn\n0.868479 0.736960 0.422513 Sn\n0.131521 0.263039 0.577488 Sn\n0.228520 0.457040 0.384278 O\n0.771480 0.542959 0.615722 O\n0.771480 0.542959 0.884278 O\n0.228520 0.457040 0.115722 O\n0.987462 0.974926 0.250000 O\n0.012538 0.025074 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
"id": "jvasp-10726",
"created_at": "2022-09-04T14:37:28.850924Z",
"updated_at": "2022-09-04T14:37:28.850946Z",
"structure_string": "K4 Te2 O2 F8\n1.0\n5.760387 0.000000 -2.594369\n0.000000 6.632906 0.000000\n-0.128722 -0.000000 7.406395\nK Te O F\n4 2 2 8\ndirect\n0.555666 0.750000 0.111332 K\n0.444335 0.250000 0.888669 K\n0.244895 0.750000 0.489790 K\n0.755106 0.250000 0.510210 K\n0.893621 0.750000 0.787240 Te\n0.106380 0.250000 0.212759 Te\n0.241492 0.250000 0.482985 O\n0.758509 0.750000 0.517015 O\n0.351547 0.469070 0.220309 F\n0.131238 0.530931 0.779691 F\n0.351547 0.030930 0.220309 F\n0.131238 0.969070 0.779691 F\n0.648454 0.969070 0.779691 F\n0.868762 0.030930 0.220309 F\n0.868762 0.469070 0.220309 F\n0.648454 0.530931 0.779691 F\n",
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{
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"created_at": "2022-09-04T14:37:28.965005Z",
"updated_at": "2022-09-04T14:37:28.965036Z",
"structure_string": "Mn2 P2 O8\n1.0\n4.676605 0.002362 0.000000\n1.684086 4.362854 0.000000\n-0.000000 0.000000 6.408085\nMn P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.349056 0.349055 0.250001 P\n0.650943 0.650944 0.750002 P\n0.708165 0.224238 0.250001 O\n0.760480 0.760481 0.549934 O\n0.239519 0.239519 0.049934 O\n0.239519 0.239519 0.450066 O\n0.775760 0.291834 0.750002 O\n0.291836 0.775759 0.750002 O\n0.760480 0.760481 0.950067 O\n0.224240 0.708163 0.250001 O\n",
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"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
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"spacegroup": 63
},
{
"id": "jvasp-35710",
"created_at": "2022-09-04T14:37:29.248963Z",
"updated_at": "2022-09-04T14:37:29.248989Z",
"structure_string": "Hf2 Be2\n1.0\n-3.286542 0.000000 0.000000\n0.000000 -0.000000 -3.746907\n-1.643271 -5.015411 0.000000\nHf Be\n2 2\ndirect\n0.153361 0.750001 0.693277 Hf\n0.846638 0.250000 0.306722 Hf\n0.439795 0.750001 0.120411 Be\n0.560205 0.250000 0.879589 Be\n",
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{
"id": "jvasp-36156",
"created_at": "2022-09-04T14:37:29.128845Z",
"updated_at": "2022-09-04T14:37:29.128875Z",
"structure_string": "Dy2 Au2\n1.0\n-3.729538 0.000000 0.000000\n0.000000 -0.000000 -4.629805\n-1.864769 -5.467707 -0.000000\nDy Au\n2 2\ndirect\n0.138206 0.750001 0.723587 Dy\n0.861794 0.250000 0.276414 Dy\n0.409303 0.750001 0.181395 Au\n0.590698 0.250000 0.818606 Au\n",
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{
"id": "jvasp-35799",
"created_at": "2022-09-04T14:37:29.334821Z",
"updated_at": "2022-09-04T14:37:29.334853Z",
"structure_string": "Th2 Au2\n1.0\n-3.875748 0.000000 0.000000\n0.000000 0.000000 -4.619006\n-1.937874 -5.883314 0.000000\nTh Au\n2 2\ndirect\n0.147202 0.750001 0.705593 Th\n0.852797 0.250000 0.294406 Th\n0.421396 0.750001 0.157207 Au\n0.578604 0.250000 0.842792 Au\n",
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{
"id": "jvasp-36655",
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"structure_string": "V2 H2\n1.0\n2.609331 0.000000 0.000000\n-1.304666 2.465949 0.000000\n0.000000 -0.000000 4.964943\nV H\n2 2\ndirect\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.327761 0.655524 0.250000 H\n0.672237 0.344477 0.750000 H\n",
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{
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"created_at": "2022-09-04T14:37:29.622662Z",
"updated_at": "2022-09-04T14:37:29.622674Z",
"structure_string": "Sn2 Se2\n1.0\n6.130429 0.000000 0.000000\n0.000000 3.704979 -1.368801\n-0.000000 0.074317 5.899750\nSn Se\n2 2\ndirect\n0.250000 0.841035 0.682070 Sn\n0.750000 0.158966 0.317931 Sn\n0.250000 0.167634 0.335266 Se\n0.750000 0.832368 0.664734 Se\n",
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{
"id": "jvasp-58617",
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"updated_at": "2022-09-04T14:37:29.681144Z",
"structure_string": "Ca2 Ni4 O10\n1.0\n3.658714 -0.000000 -0.000000\n-1.829356 5.647666 0.000000\n0.000000 -0.000000 11.059971\nCa Ni O\n2 4 10\ndirect\n0.918045 0.836091 0.750000 Ca\n0.081955 0.163911 0.250000 Ca\n0.228948 0.457899 0.597913 Ni\n0.771050 0.542103 0.402085 Ni\n0.771050 0.542103 0.097914 Ni\n0.228948 0.457899 0.902086 Ni\n0.702861 0.405724 0.250000 O\n0.297139 0.594278 0.750000 O\n0.217616 0.435231 0.071539 O\n0.782384 0.564771 0.928461 O\n0.782384 0.564771 0.571539 O\n0.217616 0.435231 0.428460 O\n0.077913 0.155826 0.633598 O\n0.922086 0.844174 0.366401 O\n0.077913 0.155826 0.866401 O\n0.922086 0.844174 0.133599 O\n",
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