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{
"id": "jvasp-120245",
"created_at": "2022-09-04T14:38:52.768469Z",
"updated_at": "2022-09-04T14:38:52.768506Z",
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{
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{
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"structure_string": "Te2 Mo1 W1 Se2\n1.0\n3.447835 0.000000 0.000000\n-1.723918 2.985923 0.007665\n0.000000 -0.041382 13.868323\nTe Mo W Se\n2 1 1 2\ndirect\n0.666456 0.332915 0.916250 Te\n0.666728 0.333458 0.185606 Te\n0.666737 0.333478 0.550940 Mo\n0.333260 0.666522 0.050929 W\n0.333527 0.667059 0.668816 Se\n0.333284 0.666570 0.433063 Se\n",
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{
"id": "jvasp-37914",
"created_at": "2022-09-04T14:38:05.050180Z",
"updated_at": "2022-09-04T14:38:05.050215Z",
"structure_string": "Ce3 Br1\n1.0\n4.565812 0.000000 -0.000000\n-0.000000 4.565812 -0.000000\n0.000000 0.000000 4.565812\nCe Br\n3 1\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Br\n",
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"elements": [
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"density_atomic": 0.04202482520618186,
"volume": 95.18183550735148,
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},
{
"id": "jvasp-39031",
"created_at": "2022-09-04T14:37:59.994617Z",
"updated_at": "2022-09-04T14:37:59.994645Z",
"structure_string": "U1 Sn1\n1.0\n1.578402 -2.733873 0.000000\n1.578402 2.733873 -0.000000\n0.000000 -0.000000 5.514396\nU Sn\n1 1\ndirect\n0.666666 0.333332 0.000000 U\n0.333332 0.666666 0.500000 Sn\n",
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"formula_full": "U1 Sn1",
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{
"id": "jvasp-112300",
"created_at": "2022-09-04T14:38:26.140315Z",
"updated_at": "2022-09-04T14:38:26.140341Z",
"structure_string": "Lu10 Ga6\n1.0\n8.367044 0.000000 0.000000\n-4.183523 7.246072 0.000000\n-0.000000 -0.000000 6.279703\nLu Ga\n10 6\ndirect\n0.666666 0.333333 -0.000000 Lu\n0.333333 0.666666 -0.000000 Lu\n0.333333 0.666666 0.500000 Lu\n0.666666 0.333333 0.500000 Lu\n0.757507 0.757507 0.750000 Lu\n0.242492 -0.000000 0.750000 Lu\n0.000000 0.242492 0.750000 Lu\n0.242492 0.242492 0.250000 Lu\n0.757507 -0.000000 0.250000 Lu\n0.000000 0.757507 0.250000 Lu\n0.399834 0.399834 0.750000 Ga\n0.600165 -0.000000 0.750000 Ga\n0.000000 0.600166 0.750000 Ga\n0.600166 0.600166 0.250000 Ga\n0.399834 -0.000000 0.250000 Ga\n0.000000 0.399834 0.250000 Ga\n",
"nsites": 16,
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"formula_full": "Lu10 Ga6",
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{
"id": "jvasp-114124",
"created_at": "2022-09-04T14:38:26.040017Z",
"updated_at": "2022-09-04T14:38:26.040043Z",
"structure_string": "Ag1 Cl2\n1.0\n3.636715 0.249122 0.336542\n2.099894 -3.487416 -0.084902\n0.548532 -0.428011 -5.390674\nAg Cl\n1 2\ndirect\n0.921284 0.204454 0.913890 Ag\n0.269059 0.510063 0.646841 Cl\n0.573526 0.898811 0.180922 Cl\n",
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{
"id": "jvasp-53575",
"created_at": "2022-09-04T14:35:53.059848Z",
"updated_at": "2022-09-04T14:35:53.059868Z",
"structure_string": "Pr4 Pb2 S8\n1.0\n7.132198 -0.004808 -2.518669\n-3.570263 6.174259 -2.518668\n0.002775 0.004808 7.563856\nPr Pb S\n4 2 8\ndirect\n0.116373 0.750000 0.866373 Pr\n0.250001 0.616373 0.366373 Pr\n0.383628 0.250000 0.633628 Pr\n0.750001 0.883628 0.133628 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750001 Pb\n0.008694 0.855562 0.498384 S\n0.010310 0.357178 0.501617 S\n0.489691 0.991307 0.346868 S\n0.144439 0.142822 0.153132 S\n0.355562 0.508694 0.998385 S\n0.642823 0.644439 0.653133 S\n0.491308 0.989691 0.846869 S\n0.857178 0.510309 0.001616 S\n",
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"elements": [
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"density": 6.153901004651233,
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"volume": 333.1251996814747,
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"formula_full": "Pr4 Pb2 S8",
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"formula_anonymous": "AB2C4",
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{
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"created_at": "2022-09-04T14:35:47.281780Z",
"updated_at": "2022-09-04T14:35:47.281805Z",
"structure_string": "Sm3 In3 Pt3\n1.0\n8.315379 -1.876837 -1.197191\n-6.014712 7.954258 -0.059171\n-0.496587 -0.350102 4.040340\nSm In Pt\n3 3 3\ndirect\n-0.034962 0.672233 0.649289 Sm\n0.690232 -0.000003 0.011620 Sm\n0.289964 0.234980 -0.188160 Sm\n0.085070 0.417428 0.709021 In\n0.550962 0.642238 0.442170 In\n0.429987 0.075932 0.381713 In\n-0.053160 -0.108819 0.140154 Pt\n0.754050 0.347777 0.043636 Pt\n0.287858 0.718234 0.310561 Pt\n",
"nsites": 9,
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],
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"volume": 214.15166487114223,
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"formula_full": "Sm3 In3 Pt3",
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{
"id": "jvasp-105162",
"created_at": "2022-09-04T14:36:59.357403Z",
"updated_at": "2022-09-04T14:36:59.357420Z",
"structure_string": "Er2 Ag1 Hg1\n1.0\n4.438180 -0.000000 2.562385\n1.479393 4.184357 2.562385\n-0.000000 -0.000000 5.124769\nEr Ag Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.750001 0.749999 Er\n0.499999 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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},
{
"id": "jvasp-111025",
"created_at": "2022-09-04T14:38:36.318741Z",
"updated_at": "2022-09-04T14:38:36.318763Z",
"structure_string": "Mn1 Zn4 Se5\n1.0\n6.213289 0.001160 3.313219\n4.883193 3.841794 3.313219\n-0.007371 -0.002553 9.964842\nMn Zn Se\n1 4 5\ndirect\n0.000976 0.000977 0.998997 Mn\n0.600690 0.600689 0.596355 Zn\n0.199040 0.199039 0.201314 Zn\n0.801672 0.801671 0.799068 Zn\n0.398121 0.398120 0.403375 Zn\n0.798869 0.798868 0.551782 Se\n0.397247 0.397246 0.154989 Se\n0.001666 0.001667 0.745941 Se\n0.598775 0.598774 0.348908 Se\n0.202946 0.202947 0.949270 Se\n",
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{
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"created_at": "2022-09-04T14:37:41.209392Z",
"updated_at": "2022-09-04T14:37:41.209422Z",
"structure_string": "Sm2 Sb2 Pd2\n1.0\n2.296088 -3.976941 -0.000000\n2.296088 3.976941 0.000000\n0.000000 -0.000000 7.816053\nSm Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666667 0.250000 Sb\n0.666667 0.333334 0.750000 Sb\n0.333334 0.666667 0.750000 Pd\n0.666667 0.333334 0.250000 Pd\n",
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