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{
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{
"id": "jvasp-50820",
"created_at": "2022-09-04T14:35:48.906618Z",
"updated_at": "2022-09-04T14:35:48.906647Z",
"structure_string": "Li12 Bi4 O12\n1.0\n7.074850 -0.000000 0.000000\n0.000000 7.074850 0.000000\n-0.000000 0.000000 7.074850\nLi Bi O\n12 4 12\ndirect\n0.979388 0.979388 0.979388 Li\n0.243236 0.256764 0.743236 Li\n0.243686 0.743686 0.756314 Li\n0.256314 0.256314 0.256314 Li\n0.256764 0.743236 0.243236 Li\n0.520612 0.020612 0.479388 Li\n0.479388 0.520612 0.020612 Li\n0.743236 0.243236 0.256764 Li\n0.743686 0.756314 0.243686 Li\n0.756314 0.243686 0.743686 Li\n0.756764 0.756764 0.756764 Li\n0.020612 0.479388 0.520612 Li\n0.963043 0.463043 0.036957 Bi\n0.536957 0.536957 0.536957 Bi\n0.463043 0.036957 0.963043 Bi\n0.036957 0.963043 0.463043 Bi\n0.997424 0.256576 0.377442 O\n0.122558 0.002576 0.756576 O\n0.256576 0.377442 0.997424 O\n0.243424 0.622558 0.497424 O\n0.377442 0.997424 0.256576 O\n0.502576 0.743424 0.877442 O\n0.497424 0.243424 0.622558 O\n0.622558 0.497424 0.243424 O\n0.756576 0.122558 0.002576 O\n0.743424 0.877442 0.502576 O\n0.877442 0.502576 0.743424 O\n0.002576 0.756576 0.122558 O\n",
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{
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"structure_string": "Ba2 Y1 Mn3 O8\n1.0\n3.901557 0.000000 -0.000000\n-0.000000 3.901557 -0.000000\n0.000000 0.000000 11.631200\nBa Y Mn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.832503 Ba\n0.500000 0.500000 0.167491 Ba\n0.500000 0.500000 0.500002 Y\n0.000000 0.000000 0.657235 Mn\n0.000000 0.000000 -0.000003 Mn\n0.000000 0.000000 0.342765 Mn\n0.500000 0.000000 0.621471 O\n0.000000 0.500000 0.621471 O\n0.000000 0.500000 -0.000003 O\n0.000000 0.000000 0.826274 O\n0.500000 0.000000 0.378534 O\n0.000000 0.500000 0.378534 O\n0.000000 0.000000 0.173725 O\n0.500000 0.000000 -0.000003 O\n",
"nsites": 14,
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],
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"density_atomic": 0.07907288780082859,
"volume": 177.05183646844495,
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"formula_full": "Ba2 Y1 Mn3 O8",
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"formula_anonymous": "AB2C3D8",
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"spacegroup": 123
},
{
"id": "jvasp-88749",
"created_at": "2022-09-04T14:35:50.612561Z",
"updated_at": "2022-09-04T14:35:50.612588Z",
"structure_string": "Li2 Al2 Mo4 O16\n1.0\n6.231425 -0.018090 -2.356794\n-2.010816 6.781074 -0.054945\n0.015970 -0.053710 7.189055\nLi Al Mo O\n2 2 4 16\ndirect\n0.730039 0.553063 0.243474 Li\n0.269960 0.446937 0.756527 Li\n0.907736 0.099436 0.824004 Al\n0.092264 0.900563 0.175998 Al\n0.167181 0.423301 0.210601 Mo\n0.832819 0.576699 0.789401 Mo\n0.322732 0.966849 0.716472 Mo\n0.677268 0.033151 0.283530 Mo\n0.250603 0.425318 0.465641 O\n0.749397 0.574681 0.534361 O\n0.748271 0.040450 0.546356 O\n0.590794 0.484335 0.836585 O\n0.782308 0.275719 0.239427 O\n0.217691 0.724281 0.760574 O\n0.025063 0.624289 0.153752 O\n0.974937 0.375710 0.846250 O\n0.379329 0.946742 0.153060 O\n0.620671 0.053258 0.846942 O\n0.078163 0.153492 0.110806 O\n0.921837 0.846508 0.889196 O\n0.184806 0.131260 0.777606 O\n0.815194 0.868740 0.222396 O\n0.409206 0.515665 0.163417 O\n0.251729 0.959550 0.453646 O\n",
"nsites": 24,
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"elements": [
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"formula_full": "Li2 Al2 Mo4 O16",
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"spacegroup": 2
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{
"id": "jvasp-112480",
"created_at": "2022-09-04T14:38:40.454861Z",
"updated_at": "2022-09-04T14:38:40.454875Z",
"structure_string": "Na1 Co2 Mo2 O10\n1.0\n5.087119 -0.052150 2.161558\n1.919100 4.711534 2.161558\n-0.066720 -0.044371 7.840033\nNa Co Mo O\n1 2 2 10\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.570245 0.570244 0.237440 Mo\n0.429756 0.429756 0.762560 Mo\n0.179297 0.179297 0.419604 O\n0.820703 0.820702 0.580397 O\n0.199763 0.697577 0.259474 O\n0.697578 0.199763 0.259474 O\n0.800238 0.302423 0.740526 O\n0.302423 0.800237 0.740526 O\n0.723664 0.723663 0.012216 O\n0.276336 0.276336 0.987784 O\n0.660679 0.660678 0.408289 O\n0.339321 0.339321 0.591711 O\n",
"nsites": 15,
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],
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"density_atomic": 0.07907786267046595,
"volume": 189.6864620950638,
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"formula_full": "Na1 Co2 Mo2 O10",
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"formula_anonymous": "AB2C2D10",
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{
"id": "jvasp-66791",
"created_at": "2022-09-04T14:35:48.980048Z",
"updated_at": "2022-09-04T14:35:48.980077Z",
"structure_string": "Mn1 Be2 Sn1\n1.0\n3.091738 -0.000000 -0.000000\n-0.000000 3.091738 0.000000\n0.000000 0.000000 5.291639\nMn Be Sn\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.811885 Be\n0.000000 0.000000 0.188115 Be\n0.500000 0.500000 0.500000 Sn\n",
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"formula_full": "Mn1 Be2 Sn1",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-18410",
"created_at": "2022-09-04T14:36:19.985836Z",
"updated_at": "2022-09-04T14:36:19.985856Z",
"structure_string": "Pu1 H2\n1.0\n3.266277 -0.000000 1.885786\n1.088759 3.079476 1.885786\n-0.000000 -0.000000 3.771571\nPu H\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750001 0.750001 0.750000 H\n0.250000 0.250000 0.250000 H\n",
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"volume": 37.93605132869411,
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},
{
"id": "jvasp-71182",
"created_at": "2022-09-04T14:35:58.633928Z",
"updated_at": "2022-09-04T14:35:58.633944Z",
"structure_string": "Hf1 Mn2 Be1\n1.0\n2.834481 0.000000 0.000000\n0.000000 2.834481 0.000000\n-0.000000 0.000000 6.295205\nHf Mn Be\n1 2 1\ndirect\n0.500000 0.500000 0.745124 Hf\n0.000000 0.000000 0.060437 Mn\n0.500000 0.500000 0.249285 Mn\n0.000000 0.000000 0.445154 Be\n",
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],
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"formula_full": "Hf1 Mn2 Be1",
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},
{
"id": "jvasp-42938",
"created_at": "2022-09-04T14:38:08.609594Z",
"updated_at": "2022-09-04T14:38:08.609610Z",
"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.062212 0.002584\n5.613154 0.000000 0.000000\n0.000000 -5.057194 -6.232339\nLi Co Ge O\n2 2 2 8\ndirect\n0.747093 0.662771 0.751242 Li\n0.747092 0.337228 0.251242 Li\n0.992354 0.176765 0.997268 Co\n0.992353 0.823234 0.497268 Co\n0.500689 0.841695 0.000819 Ge\n0.500690 0.158305 0.500819 Ge\n0.832341 0.867215 0.980534 O\n0.383749 0.134837 0.021856 O\n0.139277 0.703658 0.761521 O\n0.659453 0.328279 0.736467 O\n0.383750 0.865163 0.521856 O\n0.832341 0.132784 0.480534 O\n0.139277 0.296341 0.261521 O\n0.659453 0.671720 0.236466 O\n",
"nsites": 14,
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{
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"created_at": "2022-09-04T14:38:54.254287Z",
"updated_at": "2022-09-04T14:38:54.254315Z",
"structure_string": "Ti4 Pb2 O9 F2\n1.0\n5.744325 -0.009881 5.090161\n4.465998 3.612787 5.090161\n-0.004116 -0.001452 10.330647\nTi Pb O F\n4 2 9 2\ndirect\n0.660764 0.660767 0.774131 Ti\n0.339234 0.339235 0.225869 Ti\n0.621001 0.621003 0.453223 Ti\n0.378997 0.378999 0.546777 Ti\n0.082523 0.082523 0.159089 Pb\n0.917475 0.917478 0.840911 Pb\n0.379434 0.379435 0.353187 O\n0.620564 0.620567 0.646813 O\n0.561954 0.561956 0.335916 O\n0.438043 0.438046 0.664085 O\n0.852503 0.852506 0.569612 O\n0.147495 0.147496 0.430388 O\n0.802590 0.802593 0.240849 O\n0.197407 0.197409 0.759152 O\n0.499999 0.500001 -0.000000 O\n0.713993 0.713996 0.936564 F\n0.286005 0.286006 0.063436 F\n",
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"structure_string": "Al4 O6\n1.0\n2.859638 -0.032401 0.058922\n0.045655 4.891539 0.491063\n-0.178072 0.677998 9.101188\nAl O\n4 6\ndirect\n0.692934 0.837052 0.948415 Al\n0.193277 0.085044 0.409301 Al\n0.693342 0.634289 0.229246 Al\n0.193005 0.386293 0.768357 Al\n0.693207 0.119391 0.545826 O\n0.693333 0.904906 0.341533 O\n0.192956 0.047297 0.880681 O\n0.692955 0.566439 0.836123 O\n0.193325 0.424045 0.296982 O\n0.693079 0.351948 0.631834 O\n",
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{
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"created_at": "2022-09-04T14:38:14.678772Z",
"updated_at": "2022-09-04T14:38:14.678791Z",
"structure_string": "Ba2 Y1 Cr3 O8\n1.0\n3.930733 0.000000 0.000000\n-0.000000 3.930733 0.000000\n-0.000000 0.000000 11.455259\nBa Y Cr O\n2 1 3 8\ndirect\n0.500000 0.500000 0.168999 Ba\n0.500000 0.500000 0.830995 Ba\n0.500000 0.500000 0.500001 Y\n0.000000 0.000000 0.342745 Cr\n0.000000 0.000000 0.999998 Cr\n0.000000 0.000000 0.657256 Cr\n0.000000 0.500000 0.377159 O\n0.500000 0.000000 0.377159 O\n0.500000 0.000000 0.999997 O\n0.000000 0.000000 0.176563 O\n0.000000 0.500000 0.622845 O\n0.500000 0.000000 0.622845 O\n0.000000 0.000000 0.823435 O\n0.000000 0.500000 0.999997 O\n",
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"formula_full": "Ba2 Y1 Cr3 O8",
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{
"id": "jvasp-67769",
"created_at": "2022-09-04T14:35:55.433053Z",
"updated_at": "2022-09-04T14:35:55.433086Z",
"structure_string": "Mn2 Be1 Hg1\n1.0\n2.817097 0.000000 0.000000\n0.000000 2.817097 0.000000\n0.000000 0.000000 6.372021\nMn Be Hg\n2 1 1\ndirect\n0.000000 0.000000 0.064218 Mn\n0.500000 0.500000 0.254712 Mn\n0.000000 0.000000 0.446807 Be\n0.500000 0.500000 0.734264 Hg\n",
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"formula_anonymous": "ABC2",
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}
]
}