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{
"id": "jvasp-105828",
"created_at": "2022-09-04T14:35:43.312439Z",
"updated_at": "2022-09-04T14:35:43.312469Z",
"structure_string": "Nd3 Ti1\n1.0\n4.894561 0.000000 0.000000\n-0.000000 4.894561 0.000000\n-0.000000 -0.000000 4.894561\nNd Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Ti\n",
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{
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{
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"structure_string": "Hg2\n1.0\n0.000000 3.496248 0.000842\n5.533008 0.000000 0.000000\n0.000000 -1.746154 -3.031202\nHg\n2\ndirect\n0.833645 0.250000 0.167290 Hg\n0.166357 0.750000 0.832710 Hg\n",
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{
"id": "jvasp-18575",
"created_at": "2022-09-04T14:37:02.558266Z",
"updated_at": "2022-09-04T14:37:02.558277Z",
"structure_string": "Rb2 W1 Cl6\n1.0\n6.234868 0.000000 3.599703\n2.078289 5.878290 3.599703\n-0.000000 -0.000000 7.199405\nRb W Cl\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 W\n0.765164 0.234835 0.234834 Cl\n0.765164 0.234835 0.765164 Cl\n0.234835 0.765164 0.234835 Cl\n0.234835 0.765164 0.765164 Cl\n0.234835 0.234835 0.765164 Cl\n0.765165 0.765164 0.234834 Cl\n",
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"density_atomic": 0.03410889365268285,
"volume": 263.8608009876656,
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"formula_full": "Rb2 W1 Cl6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
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{
"id": "jvasp-109731",
"created_at": "2022-09-04T14:38:07.656573Z",
"updated_at": "2022-09-04T14:38:07.656593Z",
"structure_string": "K1 Bi1 Se2\n1.0\n4.405712 -0.000000 0.000000\n0.000000 4.405712 0.000000\n0.000000 0.000000 6.042011\nK Bi Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 -0.000000 Se\n",
"nsites": 4,
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"elements": [
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"formula_full": "K1 Bi1 Se2",
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{
"id": "jvasp-22647",
"created_at": "2022-09-04T14:38:14.275548Z",
"updated_at": "2022-09-04T14:38:14.275575Z",
"structure_string": "Cd2 Br4\n1.0\n3.953345 -0.012291 12.132857\n1.916616 3.457699 12.132857\n-0.020940 -0.012291 12.760671\nCd Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.499999 Cd\n0.208620 0.208620 0.208619 Br\n0.791382 0.791381 0.791378 Br\n0.624730 0.624729 0.624727 Br\n0.375272 0.375272 0.375270 Br\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-117532",
"created_at": "2022-09-04T14:38:35.583552Z",
"updated_at": "2022-09-04T14:38:35.583576Z",
"structure_string": "Ba2 Br1 Cl3\n1.0\n5.310661 -0.000000 -0.000000\n-2.655330 4.599167 0.000000\n0.000000 0.000000 7.202771\nBa Br Cl\n2 1 3\ndirect\n0.666666 0.333333 0.234347 Ba\n0.333332 0.666667 0.765653 Ba\n0.000000 0.000000 0.500000 Br\n0.000000 0.000000 0.000000 Cl\n0.666666 0.333333 0.774861 Cl\n0.333332 0.666667 0.225139 Cl\n",
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{
"id": "jvasp-57731",
"created_at": "2022-09-04T14:38:32.955815Z",
"updated_at": "2022-09-04T14:38:32.955831Z",
"structure_string": "Sm8 Sb6\n1.0\n7.645432 -0.000000 -2.703068\n-3.822716 6.621138 -2.703068\n0.000000 0.000000 8.109205\nSm Sb\n8 6\ndirect\n0.357251 0.500000 -0.000000 Sm\n0.642749 0.642749 0.642749 Sm\n0.500000 0.000000 0.357251 Sm\n-0.000000 0.357251 0.500000 Sm\n0.500000 0.000000 0.857251 Sm\n-0.000000 0.857251 0.500000 Sm\n0.857251 0.500000 -0.000000 Sm\n0.142749 0.142749 0.142749 Sm\n0.749999 0.875000 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.875000 0.125000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.375000 0.250000 0.625000 Sb\n0.250000 0.625000 0.375000 Sb\n",
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"formula_full": "Sm8 Sb6",
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"formula_anonymous": "A3B4",
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"spacegroup": 220
},
{
"id": "jvasp-3906",
"created_at": "2022-09-04T14:36:00.947163Z",
"updated_at": "2022-09-04T14:36:00.947186Z",
"structure_string": "Cd2 Br4\n1.0\n2.011894 -3.484702 0.000000\n2.011894 3.484702 0.000000\n0.000000 0.000000 12.547449\nCd Br\n2 4\ndirect\n0.666666 0.333332 0.124967 Cd\n0.333332 0.666666 0.624967 Cd\n0.000000 0.000000 0.250846 Br\n0.000000 0.000000 0.750846 Br\n0.333332 0.666666 -0.000813 Br\n0.666666 0.333332 0.499187 Br\n",
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},
{
"id": "jvasp-93270",
"created_at": "2022-09-04T14:35:54.311084Z",
"updated_at": "2022-09-04T14:35:54.311092Z",
"structure_string": "Rb2 Au3\n1.0\n4.655407 0.000000 -1.930729\n-0.972724 4.946268 -2.345447\n-0.058117 -0.083575 6.437829\nRb Au\n2 3\ndirect\n0.803053 0.303053 0.606106 Rb\n0.196948 0.696948 0.393895 Rb\n0.500001 0.253239 0.000000 Au\n0.500001 0.746762 0.000000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:36:03.516159Z",
"updated_at": "2022-09-04T14:36:03.516191Z",
"structure_string": "Ca3 As1 Br3\n1.0\n5.898946 0.000000 0.000000\n0.000000 5.898946 0.000000\n0.000000 0.000000 5.898946\nCa As Br\n3 1 3\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 As\n0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n",
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{
"id": "jvasp-29126",
"created_at": "2022-09-04T14:37:16.375238Z",
"updated_at": "2022-09-04T14:37:16.375262Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.409213 -0.000101 -0.000063\n-1.704693 2.952625 -0.000307\n-0.000650 -0.004015 34.959528\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333409 0.666801 0.710746 Te\n0.666574 0.333183 0.037549 Te\n0.666755 0.333477 0.144727 Te\n0.333239 0.666529 0.602967 Te\n0.333313 0.666668 0.091066 Mo\n0.333352 0.666724 0.467009 Mo\n0.666665 0.333279 0.287909 Mo\n0.666693 0.333333 0.656931 W\n0.333373 0.666751 0.335016 Se\n0.333204 0.666470 0.240827 Se\n0.666662 0.333321 0.424104 S\n0.666761 0.333466 0.509901 S\n",
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