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{
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"results": [
{
"id": "jvasp-11638",
"created_at": "2022-09-04T14:37:27.838355Z",
"updated_at": "2022-09-04T14:37:27.838376Z",
"structure_string": "Ca2 V4 O8\n1.0\n6.187192 -0.015007 -0.076103\n3.080600 5.365768 -0.076103\n3.027126 1.747712 4.943276\nCa V O\n2 4 8\ndirect\n0.125000 0.625000 0.625001 Ca\n0.625000 0.124999 0.625001 Ca\n0.994449 0.994449 0.005551 V\n0.255550 0.255550 0.244450 V\n0.625000 0.624999 0.125001 V\n0.625000 0.624999 0.625001 V\n0.390819 0.390818 0.338079 O\n0.395597 0.877129 0.363637 O\n0.390819 0.390818 0.880285 O\n0.877129 0.395596 0.363637 O\n0.372870 0.854402 0.886366 O\n0.854403 0.372868 0.886366 O\n0.859181 0.859180 0.369717 O\n0.859181 0.859180 0.911924 O\n",
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{
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"structure_string": "Ca4 Fe6 O16\n1.0\n2.916342 -5.051252 0.000000\n2.916342 5.051252 -0.000000\n0.000000 0.000000 10.463000\nCa Fe O\n4 6 16\ndirect\n0.333333 0.666667 0.023440 Ca\n0.666667 0.333333 0.523440 Ca\n0.333333 0.666667 0.440044 Ca\n0.666667 0.333333 0.940044 Ca\n0.327108 0.163554 0.246396 Fe\n0.163554 0.836446 0.746396 Fe\n0.163554 0.327108 0.746396 Fe\n0.672892 0.836446 0.746396 Fe\n0.836446 0.672892 0.246396 Fe\n0.836446 0.163554 0.246396 Fe\n0.520640 0.479359 0.344564 O\n0.479359 0.958718 0.844564 O\n0.666667 0.333333 0.154280 O\n0.000000 0.000000 0.840392 O\n0.000000 0.000000 0.340392 O\n0.479359 0.520640 0.844564 O\n0.520640 0.041281 0.344564 O\n0.847990 0.152009 0.654156 O\n0.304019 0.152009 0.654156 O\n0.152009 0.304019 0.154156 O\n0.152009 0.847990 0.154156 O\n0.958718 0.479359 0.344564 O\n0.847990 0.695980 0.654156 O\n0.695980 0.847990 0.154156 O\n0.041281 0.520640 0.844564 O\n0.333333 0.666667 0.654280 O\n",
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"formula_full": "Ca4 Fe6 O16",
"formula_reduced": "Ca2Fe3O8",
"formula_anonymous": "A2B3C8",
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"spacegroup": 186
},
{
"id": "jvasp-42937",
"created_at": "2022-09-04T14:38:11.219567Z",
"updated_at": "2022-09-04T14:38:11.219591Z",
"structure_string": "Li4 Mn4 F16\n1.0\n0.000000 5.880368 -0.016290\n4.660463 0.000000 0.000000\n0.000000 0.003886 -10.382970\nLi Mn F\n4 4 16\ndirect\n0.124160 0.464630 0.859731 Li\n0.124160 0.035369 0.359731 Li\n0.875841 -0.035369 0.640269 Li\n0.875841 0.535369 0.140269 Li\n0.366200 -0.014914 0.633114 Mn\n0.366200 0.514914 0.133114 Mn\n0.633801 0.485086 0.866886 Mn\n0.633801 0.014914 0.366886 Mn\n0.861063 0.208400 0.451223 F\n0.861063 0.291599 0.951223 F\n0.602327 0.720764 0.049707 F\n0.602327 0.779235 0.549707 F\n0.606508 0.304632 0.209033 F\n0.606509 0.195368 0.709033 F\n0.393492 0.804631 0.290967 F\n0.138938 0.708400 0.048777 F\n0.397674 0.220765 0.450293 F\n0.397674 0.279235 0.950293 F\n0.861821 0.696491 0.787055 F\n0.138938 0.791599 0.548777 F\n0.138180 0.303509 0.212944 F\n0.138180 0.196491 0.712944 F\n0.393493 0.695368 0.790967 F\n0.861821 0.803509 0.287056 F\n",
"nsites": 24,
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"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.2183444059329496,
"density_atomic": 0.08434445237793003,
"volume": 284.5474636845227,
"volume_molar": 7.139936996704933,
"formula_full": "Li4 Mn4 F16",
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"spacegroup": 14
},
{
"id": "jvasp-71999",
"created_at": "2022-09-04T14:36:00.676628Z",
"updated_at": "2022-09-04T14:36:00.676654Z",
"structure_string": "Be1 V1 Si2\n1.0\n-1.762670 1.762670 3.815852\n1.762670 -1.762670 3.815852\n1.762670 1.762670 -3.815852\nBe V Si\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 V\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n",
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"formula_full": "Be1 V1 Si2",
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},
{
"id": "jvasp-34735",
"created_at": "2022-09-04T14:37:10.819564Z",
"updated_at": "2022-09-04T14:37:10.819585Z",
"structure_string": "Li2 Ca1 Ta2 O7\n1.0\n3.867748 0.017699 -0.801648\n-0.184129 3.863404 -0.801648\n-0.040107 -0.042258 9.536130\nLi Ca Ta O\n2 1 2 7\ndirect\n0.250008 0.749991 0.500000 Li\n0.749992 0.250008 0.500000 Li\n0.000000 0.000000 0.000000 Ca\n0.613278 0.613277 0.226553 Ta\n0.386722 0.386721 0.773447 Ta\n0.100863 0.600857 0.201728 O\n0.282378 0.282378 0.564755 O\n0.399142 0.899136 0.798272 O\n0.899137 0.399142 0.798272 O\n0.717622 0.717621 0.435244 O\n0.600857 0.100863 0.201727 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 12,
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],
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"density_atomic": 0.08434936657573679,
"volume": 142.2654429683864,
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"formula_full": "Li2 Ca1 Ta2 O7",
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"formula_anonymous": "AB2C2D7",
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"spacegroup": 139
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{
"id": "jvasp-20991",
"created_at": "2022-09-04T14:38:39.231075Z",
"updated_at": "2022-09-04T14:38:39.231103Z",
"structure_string": "Nd2 Cu4 O8\n1.0\n5.209209 0.099614 -2.609795\n-1.420854 4.994319 -2.642056\n-0.055169 -0.031135 6.392655\nNd Cu O\n2 4 8\ndirect\n0.874993 0.124993 0.749986 Nd\n0.125008 0.875007 0.250014 Nd\n0.500000 -0.000000 -0.000001 Cu\n0.500000 0.500000 -0.000001 Cu\n0.000000 0.500001 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.707398 0.531233 0.850999 O\n0.143602 0.819767 0.850999 O\n0.292603 0.468767 0.149001 O\n0.856399 0.180234 0.149000 O\n0.531309 0.143637 0.350998 O\n0.819690 0.707361 0.350997 O\n0.180311 0.292639 0.649003 O\n0.468692 0.856364 0.649002 O\n",
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"elements": [
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"density": 6.710003567845444,
"density_atomic": 0.08435235510086815,
"volume": 165.97046974276967,
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"formula_full": "Nd2 Cu4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 88
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{
"id": "jvasp-70651",
"created_at": "2022-09-04T14:36:08.371850Z",
"updated_at": "2022-09-04T14:36:08.371883Z",
"structure_string": "Mg1 Be2 Os1\n1.0\n-1.693244 1.693244 4.134870\n1.693244 -1.693244 4.134870\n1.693244 1.693244 -4.134870\nMg Be Os\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Os\n",
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"formula_full": "Mg1 Be2 Os1",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-51908",
"created_at": "2022-09-04T14:37:16.150057Z",
"updated_at": "2022-09-04T14:37:16.150076Z",
"structure_string": "Cu3 Sn4 Pb1 O12\n1.0\n6.753336 -0.002230 0.001847\n-2.249049 6.367857 -0.002984\n-2.253622 -3.180728 5.514561\nCu Sn Pb O\n3 4 1 12\ndirect\n0.000014 0.500018 0.499986 Cu\n0.499974 0.499957 0.000013 Cu\n0.499984 0.000006 0.499984 Cu\n0.999987 0.500016 -0.000006 Sn\n-0.000013 0.999990 0.499978 Sn\n0.500033 0.999987 0.999993 Sn\n0.500039 0.500045 0.500050 Sn\n0.000155 0.000119 0.000052 Pb\n0.312174 0.173185 0.485353 O\n0.173190 0.485369 0.312172 O\n0.826842 0.514638 0.687804 O\n0.687786 0.173189 0.860973 O\n0.514576 0.687750 0.826815 O\n0.312173 0.826839 0.138994 O\n0.138980 0.312135 0.826846 O\n0.485326 0.312145 0.173192 O\n0.860963 0.687758 0.173207 O\n0.687790 0.826824 0.514602 O\n0.826836 0.139028 0.312194 O\n0.173207 0.861008 0.687808 O\n",
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"density": 7.456536864490224,
"density_atomic": 0.08435342567037088,
"volume": 237.09766190355202,
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"formula_full": "Cu3 Sn4 Pb1 O12",
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"formula_anonymous": "AB3C4D12",
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{
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"created_at": "2022-09-04T14:36:11.119905Z",
"updated_at": "2022-09-04T14:36:11.119930Z",
"structure_string": "Li4 Be1 Ru1\n1.0\n-0.000000 3.288550 3.288550\n3.288550 -0.000000 3.288550\n3.288550 3.288550 0.000000\nLi Be Ru\n4 1 1\ndirect\n0.127589 0.624137 0.624137 Li\n0.624137 0.624137 0.624137 Li\n0.624137 0.127589 0.624137 Li\n0.624137 0.624137 0.127589 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Ru\n",
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"volume": 71.12844982725274,
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"formula_full": "Li4 Be1 Ru1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
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"created_at": "2022-09-04T14:38:44.580710Z",
"updated_at": "2022-09-04T14:38:44.580743Z",
"structure_string": "B1 As1 O4\n1.0\n-2.290744 2.683615 2.892568\n2.290744 -2.683615 2.892568\n2.290744 2.683615 -2.892568\nB As O\n1 1 4\ndirect\n-0.000000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 As\n0.707045 0.573113 0.558478 O\n0.292955 0.851433 0.866067 O\n0.985366 0.426888 0.133932 O\n0.014634 0.148566 0.441521 O\n",
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},
{
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"created_at": "2022-09-04T14:37:08.192852Z",
"updated_at": "2022-09-04T14:37:08.192879Z",
"structure_string": "Ru1 C1\n1.0\n2.280146 2.280146 -0.000000\n2.280146 0.000000 -2.280146\n0.000000 2.280146 -2.280146\nRu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ru\n0.750001 0.750001 0.750001 C\n",
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"formula_full": "Ru1 C1",
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{
"id": "jvasp-65114",
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"structure_string": "Be1 Cr1 P1\n1.0\n1.375655 -2.382704 -0.000000\n1.375655 2.382704 0.000000\n0.000000 0.000000 5.424693\nBe Cr P\n1 1 1\ndirect\n0.000000 0.000000 0.994150 Be\n0.333335 0.666668 0.657113 Cr\n0.666668 0.333335 0.348737 P\n",
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],
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"volume": 35.561886025547935,
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"formula_full": "Be1 Cr1 P1",
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}
]
}