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{
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{
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{
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"updated_at": "2022-09-04T14:38:48.907128Z",
"structure_string": "Sm8 Sb20\n1.0\n4.257145 0.000000 0.000000\n-0.000000 13.125642 2.819352\n0.000000 0.056415 14.974666\nSm Sb\n8 20\ndirect\n0.250000 0.668725 0.577861 Sm\n0.750001 0.331275 0.422139 Sm\n0.250000 0.391557 0.771489 Sm\n0.750001 0.608443 0.228511 Sm\n0.250000 0.951918 0.362671 Sm\n0.750001 0.048081 0.637330 Sm\n0.250000 0.662275 0.855223 Sm\n0.750001 0.337724 0.144777 Sm\n0.750001 0.287049 0.650510 Sb\n0.250000 0.140278 0.778776 Sb\n0.750001 0.859722 0.221224 Sb\n0.750001 0.856469 0.519864 Sb\n0.750001 0.574595 0.734913 Sb\n0.250000 0.143531 0.480136 Sb\n0.250000 0.712951 0.349490 Sb\n0.250000 0.425405 0.265087 Sb\n0.750001 0.848886 0.825692 Sb\n0.750001 0.580800 0.024510 Sb\n0.750001 0.138665 0.322364 Sb\n0.250000 0.861334 0.677636 Sb\n0.250000 0.970640 0.099128 Sb\n0.250000 0.419200 0.975490 Sb\n0.750001 0.279373 0.940213 Sb\n0.250000 0.720627 0.059787 Sb\n0.750001 0.575234 0.448035 Sb\n0.250000 0.424766 0.551966 Sb\n0.250000 0.151113 0.174308 Sb\n0.750001 0.029359 0.900872 Sb\n",
"nsites": 28,
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"elements": [
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"formula_full": "Sm8 Sb20",
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},
{
"id": "jvasp-20651",
"created_at": "2022-09-04T14:38:08.806966Z",
"updated_at": "2022-09-04T14:38:08.806992Z",
"structure_string": "Sm1 Sb1\n1.0\n3.859041 0.000000 2.228018\n1.286347 3.638339 2.228018\n0.000000 0.000000 4.456037\nSm Sb\n1 1\ndirect\n0.500000 0.500000 0.500001 Sm\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
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"volume": 62.56498470411475,
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"formula_full": "Sm1 Sb1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.4353124875000003,
"spacegroup": 225
},
{
"id": "jvasp-37586",
"created_at": "2022-09-04T14:38:08.466160Z",
"updated_at": "2022-09-04T14:38:08.466195Z",
"structure_string": "Sm10 Sb6\n1.0\n9.191259 0.000048 0.000000\n-4.595590 7.959892 0.000000\n0.000000 0.000000 6.385673\nSm Sb\n10 6\ndirect\n0.248510 0.999993 0.250000 Sm\n0.751489 0.000006 0.750000 Sm\n0.999993 0.248511 0.250000 Sm\n0.751485 0.751485 0.250000 Sm\n0.248516 0.248516 0.750000 Sm\n0.000007 0.751489 0.750000 Sm\n0.333334 0.666668 -0.000000 Sm\n0.666667 0.333335 0.500000 Sm\n0.666667 0.333335 0.000000 Sm\n0.333334 0.666668 0.500000 Sm\n0.613692 0.000003 0.250000 Sb\n0.386308 -0.000002 0.750000 Sb\n0.000002 0.613691 0.250000 Sb\n0.386312 0.386313 0.250000 Sb\n0.613687 0.613688 0.750000 Sb\n-0.000002 0.386308 0.750000 Sb\n",
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"volume": 467.18637030960423,
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"formula_full": "Sm10 Sb6",
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"formula_anonymous": "A3B5",
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"spacegroup": 193
},
{
"id": "jvasp-20746",
"created_at": "2022-09-04T14:37:42.940614Z",
"updated_at": "2022-09-04T14:37:42.940634Z",
"structure_string": "Sm1 Sb1\n1.0\n3.859041 0.000000 2.228018\n1.286347 3.638339 2.228018\n0.000000 0.000000 4.456037\nSm Sb\n1 1\ndirect\n0.500000 0.500000 0.500001 Sm\n0.000000 0.000000 0.000000 Sb\n",
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"formula_full": "Sm1 Sb1",
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"spacegroup": 225
},
{
"id": "jvasp-122887",
"created_at": "2022-09-04T14:38:55.237087Z",
"updated_at": "2022-09-04T14:38:55.237106Z",
"structure_string": "Sm3 Sb1\n1.0\n2.021807 -3.501872 -0.000000\n2.021807 3.501872 0.000000\n0.000000 -0.000000 9.667674\nSm Sb\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.203676 Sm\n0.666668 0.333334 0.796323 Sm\n0.000000 0.000000 0.000000 Sb\n",
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"elements": [
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"volume": 136.89637763252614,
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"formula_full": "Sm3 Sb1",
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"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-35072",
"created_at": "2022-09-04T14:37:36.779096Z",
"updated_at": "2022-09-04T14:37:36.779114Z",
"structure_string": "Sm2 Sb2 Te2\n1.0\n4.331472 0.000000 -0.000000\n0.000000 4.331472 0.000000\n-0.000000 0.000000 9.388853\nSm Sb Te\n2 2 2\ndirect\n0.500000 0.000000 0.725108 Sm\n0.000000 0.500000 0.274892 Sm\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.375059 Te\n0.000000 0.500000 0.624940 Te\n",
"nsites": 6,
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"density_atomic": 0.034061807351033736,
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"formula_full": "Sm2 Sb2 Te2",
"formula_reduced": "SmSbTe",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-99934",
"created_at": "2022-09-04T14:36:39.186514Z",
"updated_at": "2022-09-04T14:36:39.186550Z",
"structure_string": "Sm2 Zn1 Sb4\n1.0\n4.367396 0.000000 0.000000\n0.000000 4.367396 -0.000000\n-0.000000 0.000000 10.019169\nSm Zn Sb\n2 1 4\ndirect\n0.500000 0.000000 0.750955 Sm\n0.000000 0.500000 0.249045 Sm\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.343482 Sb\n0.000000 0.500000 0.656518 Sb\n",
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],
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"volume": 191.10711054773722,
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"formula_full": "Sm2 Zn1 Sb4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 115
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{
"id": "jvasp-16282",
"created_at": "2022-09-04T14:37:55.253076Z",
"updated_at": "2022-09-04T14:37:55.253096Z",
"structure_string": "Sn1 Sb1\n1.0\n3.797979 -0.000000 2.192765\n1.265993 3.580770 2.192765\n0.000000 0.000000 4.385529\nSn Sb\n1 1\ndirect\n0.500000 0.500000 0.500001 Sn\n0.000000 0.000000 0.000000 Sb\n",
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},
{
"id": "jvasp-17404",
"created_at": "2022-09-04T14:37:57.473220Z",
"updated_at": "2022-09-04T14:37:57.473244Z",
"structure_string": "Sn1 Sb1\n1.0\n4.215465 0.000000 2.433800\n1.405155 3.974379 2.433800\n0.000000 0.000000 4.867601\nSn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.250001 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-110035",
"created_at": "2022-09-04T14:38:19.252803Z",
"updated_at": "2022-09-04T14:38:19.252836Z",
"structure_string": "Sn3 Sb1\n1.0\n4.844631 -0.000000 0.000000\n0.000000 4.844631 0.000000\n-0.000000 -0.000000 4.844631\nSn Sb\n3 1\ndirect\n-0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Sb\n",
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}