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{
"id": "jvasp-44649",
"created_at": "2022-09-04T14:38:10.138295Z",
"updated_at": "2022-09-04T14:38:10.138320Z",
"structure_string": "Li1 Zn1 Fe4 O8\n1.0\n-0.000000 3.979385 3.979385\n3.979385 -0.000000 3.979385\n4.154571 4.154571 -0.175185\nLi Zn Fe O\n1 1 4 8\ndirect\n0.000572 0.000572 0.998284 Li\n0.629459 0.629459 0.111623 Zn\n0.247984 0.247984 0.256047 Fe\n0.621290 0.127229 0.630192 Fe\n0.127229 0.621290 0.630192 Fe\n0.621290 0.621290 0.630192 Fe\n0.852966 0.374257 0.398521 O\n0.374257 0.374257 0.398521 O\n0.374257 0.852966 0.398521 O\n0.377407 0.377407 0.867780 O\n0.879133 0.405749 0.835987 O\n0.859277 0.859277 0.422169 O\n0.405749 0.879133 0.835987 O\n0.879133 0.879133 0.835987 O\n",
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{
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"structure_string": "Fe4 Ge4\n1.0\n3.704722 0.000000 -1.232250\n-0.365716 4.755734 -1.099515\n0.028081 0.001403 6.269616\nFe Ge\n4 4\ndirect\n0.000000 0.000000 0.000000 Fe\n-0.000001 0.500000 0.000000 Fe\n0.794629 0.638674 0.589261 Fe\n0.205369 0.361325 0.410740 Fe\n0.183178 0.844191 0.366358 Ge\n0.816820 0.155808 0.633643 Ge\n0.429753 0.701164 0.859510 Ge\n0.570245 0.298835 0.140491 Ge\n",
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{
"id": "jvasp-20604",
"created_at": "2022-09-04T14:38:10.140924Z",
"updated_at": "2022-09-04T14:38:10.140951Z",
"structure_string": "Ho1 Rh1\n1.0\n3.396394 -0.000000 0.000000\n-0.000000 3.396394 -0.000000\n0.000000 0.000000 3.396394\nHo Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.499999 0.499999 0.499999 Rh\n",
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},
{
"id": "jvasp-45235",
"created_at": "2022-09-04T14:38:10.144236Z",
"updated_at": "2022-09-04T14:38:10.144263Z",
"structure_string": "Li7 Cr5 O12\n1.0\n2.490447 -4.314511 -0.014017\n2.490113 4.313388 0.007008\n-0.812980 1.408426 9.561400\nLi Cr O\n7 5 12\ndirect\n0.994277 0.499906 0.010573 Li\n0.345965 0.174940 0.010419 Li\n0.153942 0.824889 0.489567 Li\n0.505628 0.499906 0.489426 Li\n0.828976 0.174941 0.489580 Li\n0.670947 0.824889 0.010433 Li\n0.749934 0.499868 0.250000 Li\n0.416582 0.833168 0.250000 Cr\n0.583112 0.166226 0.750000 Cr\n0.917050 0.834101 0.750000 Cr\n0.083308 0.166619 0.250000 Cr\n0.250081 0.500163 0.750000 Cr\n0.548681 0.836754 0.636054 O\n0.212089 0.163577 0.636053 O\n0.432860 0.145036 0.363698 O\n0.142956 0.499900 0.364076 O\n0.712175 0.145036 0.136301 O\n0.951486 0.163577 0.863946 O\n0.356943 0.499901 0.135924 O\n0.624587 0.500161 0.865966 O\n0.067041 0.854766 0.136301 O\n0.288072 0.836754 0.863946 O\n0.875574 0.500161 0.634033 O\n0.787725 0.854766 0.363699 O\n",
"nsites": 24,
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"elements": [
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"formula_full": "Li7 Cr5 O12",
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"formula_anonymous": "A5B7C12",
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{
"id": "jvasp-42921",
"created_at": "2022-09-04T14:38:10.144435Z",
"updated_at": "2022-09-04T14:38:10.144461Z",
"structure_string": "Li4 Mn2 F10\n1.0\n-0.000000 4.089322 0.000000\n-4.866148 2.044660 0.000000\n-0.000000 -0.000000 9.557294\nLi Mn F\n4 2 10\ndirect\n0.124753 0.750495 0.920730 Li\n0.124753 0.750495 0.579269 Li\n0.875246 0.249505 0.079270 Li\n0.875246 0.249505 0.420730 Li\n0.204990 0.590020 0.250000 Mn\n0.795010 0.409980 0.750000 Mn\n0.068250 0.863500 0.114733 F\n0.068250 0.863500 0.385266 F\n0.667262 0.665475 0.899561 F\n0.667262 0.665475 0.600438 F\n0.241333 0.517335 0.750000 F\n0.758667 0.482666 0.250000 F\n0.332737 0.334525 0.399561 F\n0.332737 0.334525 0.100439 F\n0.931749 0.136501 0.614733 F\n0.931749 0.136501 0.885266 F\n",
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"density": 2.8605753975358494,
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"volume": 190.1829450851615,
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"formula_full": "Li4 Mn2 F10",
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{
"id": "jvasp-42991",
"created_at": "2022-09-04T14:38:10.146805Z",
"updated_at": "2022-09-04T14:38:10.146833Z",
"structure_string": "Li4 Mn4 Cu2 O12\n1.0\n5.069466 -0.054229 -0.000000\n-2.594473 4.355585 0.000000\n0.000000 0.000000 10.119260\nLi Mn Cu O\n4 4 2 12\ndirect\n0.177006 0.677006 0.750000 Li\n0.322996 0.822996 0.250000 Li\n0.677006 0.177005 0.750000 Li\n0.822996 0.322995 0.250000 Li\n0.163544 0.836458 0.500000 Mn\n0.336457 0.663544 0.000000 Mn\n0.663544 0.336456 0.000000 Mn\n0.836458 0.163543 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.506229 0.131558 0.392711 O\n0.840101 0.840100 0.405131 O\n0.368444 0.993772 0.892711 O\n0.659902 0.659901 0.905131 O\n0.340100 0.340100 0.094869 O\n0.006229 0.631558 0.107289 O\n0.493773 0.868443 0.607289 O\n0.131558 0.506229 0.392711 O\n0.993773 0.368442 0.892711 O\n0.868443 0.493772 0.607289 O\n0.159901 0.159901 0.594869 O\n0.631558 0.006228 0.107289 O\n",
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],
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"formula_full": "Li4 Mn4 Cu2 O12",
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"formula_anonymous": "AB2C2D6",
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{
"id": "jvasp-17858",
"created_at": "2022-09-04T14:38:10.146818Z",
"updated_at": "2022-09-04T14:38:10.146838Z",
"structure_string": "Y2 Cu2 Pb2\n1.0\n2.303356 -3.989531 0.000000\n2.303356 3.989531 -0.000000\n0.000000 0.000000 7.392754\nY Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.998654 Y\n0.000000 0.000000 0.498654 Y\n0.666668 0.333334 0.324655 Cu\n0.333334 0.666668 0.824655 Cu\n0.333334 0.666668 0.228490 Pb\n0.666668 0.333334 0.728490 Pb\n",
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"volume": 135.86861897440662,
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"formula_full": "Y2 Cu2 Pb2",
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},
{
"id": "jvasp-44770",
"created_at": "2022-09-04T14:38:10.149145Z",
"updated_at": "2022-09-04T14:38:10.149165Z",
"structure_string": "Mn2 O3 F1\n1.0\n4.545900 -0.128087 0.000000\n-0.128087 4.545900 0.000000\n0.000000 0.000000 2.964664\nMn O F\n2 3 1\ndirect\n0.019812 0.980187 0.000000 Mn\n0.487446 0.512553 0.499999 Mn\n0.196155 0.803844 0.499999 O\n0.301387 0.306423 0.000000 O\n0.693576 0.698613 0.000000 O\n0.801622 0.198377 0.499999 F\n",
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{
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"structure_string": "Sc1 Tc3\n1.0\n0.000000 3.132709 3.132709\n3.132709 -0.000000 3.132709\n3.132709 3.132709 -0.000000\nSc Tc\n1 3\ndirect\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n0.250001 0.250001 0.250001 Tc\n",
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{
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"created_at": "2022-09-04T14:38:10.154767Z",
"updated_at": "2022-09-04T14:38:10.154795Z",
"structure_string": "C1 I1 N1\n1.0\n4.235261 0.026528 -0.839742\n-1.027570 4.108800 -0.839742\n0.020577 0.026528 4.317659\nC I N\n1 1 1\ndirect\n0.341613 0.341613 0.341613 C\n0.998655 0.998656 0.998656 I\n0.539733 0.539733 0.539734 N\n",
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{
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"updated_at": "2022-09-04T14:38:10.156195Z",
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{
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"created_at": "2022-09-04T14:38:10.161008Z",
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"structure_string": "Ca4 Fe4 O8\n1.0\n3.150037 -0.160274 -0.011030\n0.394923 7.739083 0.127375\n0.066986 0.704746 8.671549\nCa Fe O\n4 4 8\ndirect\n0.749974 0.708912 0.963930 Ca\n0.250027 0.291089 0.036071 Ca\n0.749878 0.924774 0.283243 Ca\n0.250123 0.075227 0.716758 Ca\n0.750087 0.423183 0.717914 Fe\n0.249921 0.691261 0.638710 Fe\n0.750079 0.308740 0.361291 Fe\n0.249914 0.576818 0.282087 Fe\n0.749983 0.469351 0.163941 O\n0.750027 0.256625 0.573819 O\n0.249974 0.743375 0.426182 O\n0.250018 0.530650 0.836060 O\n0.750089 0.195753 0.882363 O\n0.750097 0.846336 0.713054 O\n0.249912 0.804248 0.117638 O\n0.249904 0.153665 0.286947 O\n",
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"formula_full": "Ca4 Fe4 O8",
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}
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}