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{
"id": "jvasp-104131",
"created_at": "2022-09-04T14:37:16.151973Z",
"updated_at": "2022-09-04T14:37:16.151994Z",
"structure_string": "H4 C6 S2 O1\n1.0\n3.833785 0.042449 0.355110\n1.059516 5.466573 1.187111\n0.041675 -0.031234 7.174885\nH C S O\n4 6 2 1\ndirect\n0.560442 0.293757 0.763989 H\n0.582747 0.708227 0.254792 H\n0.742202 0.665532 0.613139 H\n0.844109 -0.003967 0.804002 H\n0.497305 0.849720 0.340198 C\n0.580736 0.827087 0.530585 C\n0.460790 0.041325 0.600844 C\n0.309853 0.082429 0.265388 C\n0.571597 0.097136 0.777282 C\n0.239306 0.184445 0.068256 C\n0.232891 0.270301 0.433435 S\n0.050216 0.472948 0.988520 S\n0.366176 0.015950 0.954668 O\n",
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"structure_string": "Mo4 O8\n1.0\n4.659522 -0.000058 0.000001\n-0.000064 4.683677 -3.155310\n0.000013 -0.048194 6.381041\nMo O\n4 8\ndirect\n0.500000 0.500004 0.250000 Mo\n0.000000 -0.000004 0.250000 Mo\n0.499999 0.499997 0.750000 Mo\n-0.000001 0.000005 0.750001 Mo\n0.195543 0.804517 0.402261 O\n0.695546 0.695487 0.097741 O\n0.804457 0.195484 0.597739 O\n0.304454 0.304514 0.902259 O\n0.804461 0.195489 0.097746 O\n0.304458 0.304508 0.402252 O\n0.195539 0.804512 0.902254 O\n0.695542 0.695493 0.597748 O\n",
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{
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"updated_at": "2022-09-04T14:38:50.899543Z",
"structure_string": "Nb1 F3\n1.0\n6.519888 -2.390700 1.056719\n-2.046761 -3.088783 1.728881\n-2.493871 3.643472 -3.713772\nNb F\n1 3\ndirect\n0.513446 0.264659 0.147443 Nb\n0.700285 0.451369 0.021976 F\n0.639466 -0.000664 0.399380 F\n0.030326 0.173358 0.182122 F\n",
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},
{
"id": "jvasp-49773",
"created_at": "2022-09-04T14:35:43.299771Z",
"updated_at": "2022-09-04T14:35:43.299801Z",
"structure_string": "Li2 Ta2 O6\n1.0\n5.411104 0.000017 0.000000\n0.000017 5.411118 0.000000\n0.000000 0.000000 3.942800\nLi Ta O\n2 2 6\ndirect\n-0.000032 0.499965 0.500000 Li\n0.499927 -0.000066 0.500000 Li\n0.999984 -0.000002 0.000000 Ta\n0.499999 0.499985 0.000000 Ta\n0.000079 0.000056 0.500000 O\n0.176460 0.676464 0.000000 O\n0.323570 0.176473 0.000000 O\n0.500054 0.500077 0.500000 O\n0.676473 0.823571 0.000000 O\n0.823562 0.323560 0.000000 O\n",
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"volume": 115.44566602300418,
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{
"id": "jvasp-121968",
"created_at": "2022-09-04T14:38:50.339416Z",
"updated_at": "2022-09-04T14:38:50.339425Z",
"structure_string": "Nd4 H10\n1.0\n4.953096 -0.017790 -4.501186\n-0.981490 4.854910 -4.501186\n0.014607 0.017790 6.692803\nNd H\n4 10\ndirect\n0.495958 0.995958 0.499999 Nd\n0.745958 0.745958 -0.000000 Nd\n0.004043 0.504043 0.500000 Nd\n0.254043 0.254043 -0.000000 Nd\n0.375001 0.354840 0.479840 H\n0.875001 0.895160 0.520159 H\n0.645160 0.125000 0.020160 H\n0.104841 0.625000 0.979840 H\n0.375000 0.895160 0.020159 H\n0.875001 0.354840 0.979840 H\n0.645161 0.625000 0.520159 H\n0.104841 0.125000 0.479840 H\n0.250001 0.750000 0.499999 H\n0.500000 0.500000 -0.000000 H\n",
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{
"id": "jvasp-10656",
"created_at": "2022-09-04T14:37:08.345619Z",
"updated_at": "2022-09-04T14:37:08.345638Z",
"structure_string": "Zn2 Mo4 O8\n1.0\n6.428063 -0.346101 -0.244730\n2.914300 5.047714 -0.000000\n2.914300 1.682572 4.759030\nZn Mo O\n2 4 8\ndirect\n0.993068 0.002310 0.002310 Zn\n0.150247 0.616584 0.616584 Zn\n0.197225 0.267592 0.267592 Mo\n0.621493 0.082746 0.647881 Mo\n0.621493 0.647880 0.082747 Mo\n0.621493 0.647880 0.647881 Mo\n0.406332 0.367981 0.367982 O\n0.406332 0.367981 0.857704 O\n0.406332 0.857703 0.367982 O\n0.820413 0.393195 0.393195 O\n0.355614 0.881461 0.881462 O\n0.883320 0.403471 0.856604 O\n0.883320 0.856603 0.403471 O\n0.883320 0.856603 0.856604 O\n",
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"formula_full": "Zn2 Mo4 O8",
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{
"id": "jvasp-51692",
"created_at": "2022-09-04T14:36:51.666194Z",
"updated_at": "2022-09-04T14:36:51.666212Z",
"structure_string": "Y4 V4 O14\n1.0\n6.155959 -0.000000 3.554145\n2.051987 5.803894 3.554145\n-0.000000 -0.000000 7.108288\nY V O\n4 4 14\ndirect\n0.500000 0.000000 -0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 -0.000000 Y\n0.500000 0.500000 0.499999 V\n0.500000 0.500000 -0.000001 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.875001 0.874999 0.874999 O\n0.171769 0.578231 0.578231 O\n0.578232 0.578231 0.171768 O\n0.421769 0.421768 0.828231 O\n0.125000 0.125000 0.125000 O\n0.828232 0.421768 0.421768 O\n0.578232 0.171768 0.171768 O\n0.421769 0.828231 0.828231 O\n0.171769 0.578231 0.171768 O\n0.421769 0.828231 0.421768 O\n0.171769 0.171768 0.578231 O\n0.578232 0.171768 0.578231 O\n0.828232 0.828231 0.421767 O\n0.828232 0.421768 0.828231 O\n",
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"volume": 253.9687059665406,
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{
"id": "jvasp-78469",
"created_at": "2022-09-04T14:36:34.776582Z",
"updated_at": "2022-09-04T14:36:34.776616Z",
"structure_string": "Na1 O1\n1.0\n2.847484 -0.000000 -0.000000\n-0.000000 2.847484 -0.000000\n0.000000 0.000000 2.847484\nNa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.499999 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-109633",
"created_at": "2022-09-04T14:38:26.841178Z",
"updated_at": "2022-09-04T14:38:26.841209Z",
"structure_string": "Mn2 Ga1 Ni1\n1.0\n3.487388 -0.000000 2.013444\n1.162463 3.287941 2.013444\n-0.000000 -0.000000 4.026889\nMn Ga Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.749999 Mn\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Ni\n",
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},
{
"id": "jvasp-48024",
"created_at": "2022-09-04T14:35:45.189678Z",
"updated_at": "2022-09-04T14:35:45.189704Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.134569 -0.000000 0.000000\n0.000000 6.134569 -0.000000\n0.000000 0.000000 6.134569\nLi Mn F\n4 4 12\ndirect\n0.624987 0.624987 0.624987 Li\n0.375013 0.124987 0.875013 Li\n0.875013 0.375013 0.124987 Li\n0.124987 0.875013 0.375013 Li\n0.336311 0.336311 0.336311 Mn\n0.163689 0.663689 0.836311 Mn\n0.836311 0.163689 0.663689 Mn\n0.663689 0.836311 0.163689 Mn\n0.766465 0.870705 0.493738 F\n0.733536 0.129295 0.993738 F\n0.506262 0.266465 0.629295 F\n0.629295 0.506262 0.266465 F\n0.370705 0.006262 0.233535 F\n0.006262 0.233535 0.370705 F\n0.266465 0.629295 0.506262 F\n0.233535 0.370705 0.006262 F\n0.993738 0.733536 0.129295 F\n0.129295 0.993738 0.733536 F\n0.493738 0.766465 0.870705 F\n0.870705 0.493738 0.766465 F\n",
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"formula_full": "Li4 Mn4 F12",
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"spacegroup": 198
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{
"id": "jvasp-13305",
"created_at": "2022-09-04T14:36:50.548954Z",
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"structure_string": "Zn4 Pt2 O8\n1.0\n6.138705 0.032240 0.109225\n3.097273 5.364634 0.000000\n3.167840 1.747469 4.960625\nZn Pt O\n4 2 8\ndirect\n0.976224 0.023777 0.976224 Zn\n0.273776 0.226224 0.273776 Zn\n0.125000 0.624999 0.625000 Zn\n0.625001 0.625000 0.124999 Zn\n0.625000 0.125000 0.625000 Pt\n0.625000 0.625000 0.625000 Pt\n0.392640 0.375492 0.392640 O\n0.392640 0.839229 0.392640 O\n0.398955 0.374192 0.852659 O\n0.852660 0.374192 0.398954 O\n0.397341 0.875807 0.851046 O\n0.857361 0.410771 0.857360 O\n0.851046 0.875807 0.397341 O\n0.857360 0.874508 0.857360 O\n",
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{
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"structure_string": "Li2 Mn4 F18\n1.0\n4.723885 0.179720 -0.519484\n-1.261188 7.665857 -2.706513\n1.130878 0.213463 7.415320\nLi Mn F\n2 4 18\ndirect\n0.102659 0.178183 0.393792 Li\n-0.102659 0.821817 0.606209 Li\n0.586675 0.221409 0.771250 Mn\n0.331304 0.658265 0.813700 Mn\n0.668695 0.341734 0.186301 Mn\n0.413324 0.778591 0.228751 Mn\n0.796754 0.233346 0.575430 F\n0.524862 0.552846 0.185765 F\n0.712757 0.870192 0.367070 F\n-0.131779 0.335718 -0.045209 F\n0.059022 0.537013 0.673549 F\n0.609455 0.776552 0.000562 F\n0.817618 0.148978 0.178429 F\n0.182380 0.851022 0.821572 F\n0.131778 0.664283 0.045209 F\n0.940977 0.462987 0.326452 F\n0.713737 0.021811 0.759674 F\n0.287241 0.129808 0.632930 F\n0.475137 0.447154 0.814236 F\n0.203245 0.766654 0.424570 F\n0.286262 -0.021811 0.240327 F\n0.573704 0.667086 0.630444 F\n0.390543 0.223449 -0.000561 F\n0.426295 0.332914 0.369557 F\n",
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"formula_full": "Li2 Mn4 F18",
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"spacegroup": 2
}
]
}