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"results": [
{
"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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"volume": 237.09766190355202,
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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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],
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"volume": 47.4199336489588,
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"formula_full": "Mg1 Be2 Os1",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"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",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cu-Nd-O",
"density": 6.710003567845444,
"density_atomic": 0.08435235510086815,
"volume": 165.97046974276967,
"volume_molar": 7.139268077102,
"formula_full": "Nd2 Cu4 O8",
"formula_reduced": "Nd(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.440978057142857,
"spacegroup": 88
},
{
"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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"elements": [
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],
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"density": 6.161145802220781,
"density_atomic": 0.08434936657573679,
"volume": 142.2654429683864,
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"formula_full": "Li2 Ca1 Ta2 O7",
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"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.92835861,
"spacegroup": 139
},
{
"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",
"nsites": 4,
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"elements": [
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],
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"density": 4.066119104112468,
"density_atomic": 0.08434638073016197,
"volume": 47.42349304585649,
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"formula_full": "Be1 V1 Si2",
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"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"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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],
"chemical_system": "F-Li-Mn",
"density": 3.2183444059329496,
"density_atomic": 0.08434445237793003,
"volume": 284.5474636845227,
"volume_molar": 7.139936996704933,
"formula_full": "Li4 Mn4 F16",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3500030618965517,
"spacegroup": 14
},
{
"id": "jvasp-27666",
"created_at": "2022-09-04T14:37:27.310383Z",
"updated_at": "2022-09-04T14:37:27.310415Z",
"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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],
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"density_atomic": 0.08434311550583048,
"volume": 308.2646383652104,
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"formula_full": "Ca4 Fe6 O16",
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"spacegroup": 186
},
{
"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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"volume": 165.9933155277179,
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"formula_full": "Ca2 V4 O8",
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"spacegroup": 74
},
{
"id": "jvasp-17618",
"created_at": "2022-09-04T14:37:34.885403Z",
"updated_at": "2022-09-04T14:37:34.885435Z",
"structure_string": "Mn2 Ga1 Co1\n1.0\n3.518655 0.000000 2.031496\n1.172885 3.317420 2.031496\n0.000000 -0.000000 4.062992\nMn Ga Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749998 0.750000 0.750002 Mn\n0.249999 0.250000 0.250001 Ga\n0.499999 0.500000 0.500001 Co\n",
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"formula_full": "Mn2 Ga1 Co1",
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"spacegroup": 216
},
{
"id": "jvasp-58365",
"created_at": "2022-09-04T14:36:42.737292Z",
"updated_at": "2022-09-04T14:36:42.737323Z",
"structure_string": "Cr10 Si6\n1.0\n4.321513 -0.000000 1.544881\n2.160756 6.429339 0.772440\n-0.003507 0.000000 6.826559\nCr Si\n10 6\ndirect\n0.250000 0.500000 0.500000 Cr\n0.750000 0.500000 0.500000 Cr\n0.076224 0.152833 0.694718 Cr\n0.770942 0.305282 0.152833 Cr\n0.229057 0.694718 0.847167 Cr\n0.923775 0.847167 0.305282 Cr\n0.270942 0.152833 0.305282 Cr\n0.729057 0.847167 0.694718 Cr\n0.423775 0.305282 0.847167 Cr\n0.576224 0.694718 0.152833 Cr\n0.250000 0.000000 0.000000 Si\n0.750000 0.000000 0.000000 Si\n0.167269 0.500000 0.165462 Si\n0.332731 0.834538 0.500000 Si\n0.667268 0.165462 0.500000 Si\n0.832730 0.500000 0.834538 Si\n",
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"formula_full": "Cr10 Si6",
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},
{
"id": "jvasp-10059",
"created_at": "2022-09-04T14:37:31.050819Z",
"updated_at": "2022-09-04T14:37:31.050851Z",
"structure_string": "Ca2 V4 O8\n1.0\n6.187346 -0.014755 -0.076323\n3.080895 5.365776 -0.076323\n3.027096 1.747695 4.943227\nCa V O\n2 4 8\ndirect\n0.124999 0.625001 0.625001 Ca\n0.625000 0.125000 0.625001 Ca\n0.994454 0.994454 0.005547 V\n0.255546 0.255546 0.244455 V\n0.625000 0.625000 0.125001 V\n0.625000 0.625000 0.625001 V\n0.390824 0.390825 0.338059 O\n0.395566 0.877144 0.363645 O\n0.390824 0.390825 0.880294 O\n0.877144 0.395567 0.363645 O\n0.372854 0.854433 0.886358 O\n0.854433 0.372855 0.886358 O\n0.859175 0.859175 0.369708 O\n0.859175 0.859176 0.911943 O\n",
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"volume": 165.99688632013783,
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"formula_full": "Ca2 V4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"id": "jvasp-47063",
"created_at": "2022-09-04T14:38:05.432428Z",
"updated_at": "2022-09-04T14:38:05.432447Z",
"structure_string": "Li2 V4 O4 F6\n1.0\n3.855935 -0.000888 0.000679\n-1.926605 4.903207 0.005424\n-0.001916 -0.014442 10.035380\nLi V O F\n2 4 4 6\ndirect\n0.133524 0.264736 0.049548 Li\n0.867734 0.733236 0.948700 Li\n0.138969 0.275426 0.449403 V\n0.185844 0.369203 0.743881 V\n0.815580 0.628763 0.254380 V\n0.862515 0.722539 0.548861 V\n0.044072 0.085604 0.616814 O\n0.690797 0.379105 0.421434 O\n0.310681 0.618863 0.576827 O\n0.957415 0.912365 0.381446 O\n0.045418 0.088643 0.879785 F\n0.692777 0.383170 0.095109 F\n0.267558 0.532715 0.261047 F\n0.733897 0.465305 0.737232 F\n0.308533 0.614707 0.903202 F\n0.955793 0.909282 0.118454 F\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.4628981423138887,
"density_atomic": 0.08433634571465617,
"volume": 189.71654349519062,
"volume_molar": 7.140623308929377,
"formula_full": "Li2 V4 O4 F6",
"formula_reduced": "LiV2O2F3",
"formula_anonymous": "AB2C2D3",
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"spacegroup": 12
}
]
}