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{
"id": "jvasp-20651",
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{
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"structure_string": "Sm1 Sb12 Os4\n1.0\n7.709536 0.000000 -2.725732\n-3.854767 6.676654 -2.725732\n0.000000 0.000000 8.177197\nSm Sb Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.844028 0.182002 0.337974 Sb\n0.155972 0.817998 0.662027 Sb\n0.844027 0.506053 0.662027 Sb\n0.662027 0.155973 0.817999 Sb\n0.337974 0.155973 0.493947 Sb\n0.155973 0.493946 0.337974 Sb\n0.506054 0.662026 0.844028 Sb\n0.493946 0.337973 0.155973 Sb\n0.182002 0.337973 0.844028 Sb\n0.662026 0.844027 0.506054 Sb\n0.337973 0.844027 0.182002 Sb\n0.817998 0.662026 0.155973 Sb\n-0.000000 0.500000 -0.000000 Os\n0.500000 0.500000 0.500000 Os\n-0.000000 -0.000000 0.500000 Os\n0.500000 -0.000000 0.000000 Os\n",
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{
"id": "jvasp-86807",
"created_at": "2022-09-04T14:36:05.867801Z",
"updated_at": "2022-09-04T14:36:05.867830Z",
"structure_string": "Sm1 Sb12 Os4\n1.0\n7.709559 -0.000000 -2.725741\n-3.854780 6.676674 -2.725741\n-0.000000 -0.000000 8.177222\nSm Sb Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.844035 0.181999 0.337963 Sb\n0.155965 0.818000 0.662037 Sb\n0.844035 0.506072 0.662037 Sb\n0.662037 0.155965 0.818001 Sb\n0.337963 0.155965 0.493928 Sb\n0.155965 0.493927 0.337963 Sb\n0.506072 0.662037 0.844035 Sb\n0.493928 0.337963 0.155965 Sb\n0.181999 0.337963 0.844035 Sb\n0.662037 0.844035 0.506072 Sb\n0.337963 0.844035 0.181999 Sb\n0.818001 0.662037 0.155965 Sb\n-0.000000 0.500000 -0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.000000 Os\n",
"nsites": 17,
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"elements": [
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],
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"density": 9.359260093663238,
"density_atomic": 0.040388100198974285,
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"formula_full": "Sm1 Sb12 Os4",
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"formula_anonymous": "AB4C12",
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{
"id": "jvasp-19715",
"created_at": "2022-09-04T14:38:30.460690Z",
"updated_at": "2022-09-04T14:38:30.460715Z",
"structure_string": "Sm1 Se1\n1.0\n3.603183 0.000000 2.080299\n1.201061 3.397113 2.080299\n-0.000000 -0.000000 4.160598\nSm Se\n1 1\ndirect\n0.500000 0.500000 0.500001 Sm\n0.000000 0.000000 0.000000 Se\n",
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"elements": [
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"density": 7.477199383547957,
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"volume": 50.92746618347143,
"volume_molar": 15.334618495350249,
"formula_full": "Sm1 Se1",
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"spacegroup": 225
},
{
"id": "jvasp-123709",
"created_at": "2022-09-04T14:38:55.311437Z",
"updated_at": "2022-09-04T14:38:55.311455Z",
"structure_string": "Sm1 Se2\n1.0\n2.201075 -3.723806 -0.607701\n2.124375 3.679523 -0.000000\n-0.732682 0.423014 5.892105\nSm Se\n1 2\ndirect\n-0.000000 0.333354 0.166667 Sm\n0.771350 0.718997 0.431895 Se\n0.228653 -0.052351 0.901440 Se\n",
"nsites": 3,
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"spacegroup": 12
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{
"id": "jvasp-37221",
"created_at": "2022-09-04T14:37:54.008818Z",
"updated_at": "2022-09-04T14:37:54.008841Z",
"structure_string": "Sm1 Si1 O3\n1.0\n3.750719 0.000000 0.000000\n-0.000000 3.750719 0.000000\n0.000000 0.000000 3.750719\nSm Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"elements": [
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"volume": 52.764713628682955,
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"formula_full": "Sm1 Si1 O3",
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},
{
"id": "jvasp-56847",
"created_at": "2022-09-04T14:37:38.129658Z",
"updated_at": "2022-09-04T14:37:38.129678Z",
"structure_string": "Sm1 Si2 Ag2\n1.0\n3.963005 0.000000 -1.439909\n-0.523173 3.928320 -1.439909\n-0.015103 -0.017247 6.132000\nSm Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.608236 0.608234 0.216470 Si\n0.391767 0.391765 0.783530 Si\n0.250001 0.750000 0.500000 Ag\n0.750001 0.250000 0.500000 Ag\n",
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"volume": 95.26584124568788,
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"formula_full": "Sm1 Si2 Ag2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
"id": "jvasp-17238",
"created_at": "2022-09-04T14:37:43.840363Z",
"updated_at": "2022-09-04T14:37:43.840377Z",
"structure_string": "Sm1 Si2 Au2\n1.0\n4.047339 0.000000 -1.563704\n-0.604143 4.001995 -1.563704\n-0.032120 -0.037333 5.936587\nSm Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.614545 0.614546 0.229092 Si\n0.385456 0.385456 0.770911 Si\n0.250001 0.750001 0.500001 Au\n0.750001 0.250001 0.500001 Au\n",
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"formula_full": "Sm1 Si2 Au2",
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},
{
"id": "jvasp-15298",
"created_at": "2022-09-04T14:37:00.975006Z",
"updated_at": "2022-09-04T14:37:00.975015Z",
"structure_string": "Sm1 Si2 Cu2\n1.0\n3.797971 -0.000000 -1.426959\n-0.536131 3.759940 -1.426959\n-0.004211 -0.004854 5.756583\nSm Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.619654 0.619654 0.239307 Si\n0.380346 0.380347 0.760692 Si\n0.250000 0.750001 0.500000 Cu\n0.750000 0.250001 0.500000 Cu\n",
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{
"id": "jvasp-16732",
"created_at": "2022-09-04T14:38:30.663171Z",
"updated_at": "2022-09-04T14:38:30.663198Z",
"structure_string": "Sm1 Si2 Ir2\n1.0\n3.853772 -0.000000 -1.448635\n-0.544542 3.815106 -1.448635\n-0.010563 -0.012178 5.822269\nSm Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.622676 0.622676 0.245352 Si\n0.377325 0.377324 0.754650 Si\n0.750000 0.250000 0.500001 Ir\n0.250001 0.750000 0.500001 Ir\n",
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{
"id": "jvasp-92735",
"created_at": "2022-09-04T14:36:46.622462Z",
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"structure_string": "Sm1 Si2 Ir2\n1.0\n4.212577 -0.000000 0.000000\n0.000000 4.212577 0.000000\n-2.106289 -2.106289 5.016218\nSm Si Ir\n1 2 2\ndirect\n0.022995 0.022995 0.045990 Sm\n0.773002 0.273002 0.546004 Si\n0.273002 0.773002 0.546004 Si\n0.654134 0.654134 0.308268 Ir\n0.391868 0.391868 0.783735 Ir\n",
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{
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"structure_string": "Sm1 Si2 Ni2\n1.0\n3.764885 0.000000 -1.451690\n-0.559753 3.723042 -1.451690\n-0.014076 -0.016351 5.571358\nSm Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.629153 0.629152 0.258305 Si\n0.370848 0.370848 0.741696 Si\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n",
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