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{
"id": "jvasp-4059",
"created_at": "2022-09-04T14:36:20.321414Z",
"updated_at": "2022-09-04T14:36:20.321439Z",
"structure_string": "Sm2 Br2 O2\n1.0\n3.957948 0.000000 0.000000\n0.000000 3.957948 0.000000\n0.000000 -0.000000 7.963659\nSm Br O\n2 2 2\ndirect\n0.500000 0.000000 0.851734 Sm\n0.000000 0.500000 0.148266 Sm\n0.000000 0.500000 0.653161 Br\n0.500000 0.000000 0.346839 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Sm2 Br6\n1.0\n4.041974 0.000000 0.000000\n-2.020987 6.372230 0.000000\n0.000000 0.000000 9.132642\nSm Br\n2 6\ndirect\n0.742789 0.485579 0.250000 Sm\n0.257209 0.514420 0.750000 Sm\n0.354448 0.708896 0.434305 Br\n0.645551 0.291104 0.565694 Br\n0.918025 0.836053 0.750000 Br\n0.081973 0.163947 0.250000 Br\n0.354448 0.708896 0.065694 Br\n0.645551 0.291104 0.934305 Br\n",
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{
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"structure_string": "Sm2 C1 N2 O2\n1.0\n3.833433 0.000000 -0.000000\n-1.916717 3.319850 -0.000000\n-0.000000 0.000000 8.313719\nSm C N O\n2 1 2 2\ndirect\n0.666666 0.333333 0.820483 Sm\n0.333332 0.666667 0.179517 Sm\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.351504 N\n0.000000 0.000000 0.648496 N\n0.666666 0.333333 0.102864 O\n0.333332 0.666667 0.897137 O\n",
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"elements": [
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"density_atomic": 0.06616013152139016,
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"formula_full": "Sm2 C1 N2 O2",
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"formula_anonymous": "AB2C2D2",
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"spacegroup": 164
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{
"id": "jvasp-86718",
"created_at": "2022-09-04T14:36:10.300152Z",
"updated_at": "2022-09-04T14:36:10.300180Z",
"structure_string": "Sm2 C3 N6\n1.0\n3.742729 -0.000000 -1.001220\n-0.141553 5.294872 -0.529148\n0.015821 0.002477 7.555231\nSm C N\n2 3 6\ndirect\n0.865685 0.928914 0.731370 Sm\n0.134315 0.071086 0.268630 Sm\n0.328116 0.405371 0.656229 C\n0.671885 0.594629 0.343771 C\n0.000000 0.500000 -0.000000 C\n0.988282 0.267820 0.976562 N\n0.689744 0.828772 0.379485 N\n0.657220 0.365551 0.314441 N\n0.011718 0.732180 0.023437 N\n0.310257 0.171228 0.620515 N\n0.342780 0.634450 0.685559 N\n",
"nsites": 11,
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"elements": [
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"density_atomic": 0.07342477698922371,
"volume": 149.81318910392372,
"volume_molar": 8.201782840802972,
"formula_full": "Sm2 C3 N6",
"formula_reduced": "Sm2(CN2)3",
"formula_anonymous": "A2B3C6",
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"spacegroup": 12
},
{
"id": "jvasp-86117",
"created_at": "2022-09-04T14:35:42.246627Z",
"updated_at": "2022-09-04T14:35:42.246647Z",
"structure_string": "Sm2 C3 N6\n1.0\n3.742797 -0.000000 -1.001239\n-0.141600 5.294846 -0.529323\n0.015780 0.002220 7.555211\nSm C N\n2 3 6\ndirect\n0.865683 0.928913 0.731367 Sm\n0.134317 0.071088 0.268633 Sm\n0.328118 0.405373 0.656235 C\n0.671882 0.594627 0.343765 C\n-0.000000 0.500000 0.000000 C\n0.988289 0.267814 0.976575 N\n0.689738 0.828776 0.379474 N\n0.657219 0.365544 0.314438 N\n0.011712 0.732187 0.023426 N\n0.310263 0.171225 0.620527 N\n0.342782 0.634457 0.685562 N\n",
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"density": 4.664063236619985,
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"volume": 149.8140178692862,
"volume_molar": 8.201828212999972,
"formula_full": "Sm2 C3 N6",
"formula_reduced": "Sm2(CN2)3",
"formula_anonymous": "A2B3C6",
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{
"id": "jvasp-109303",
"created_at": "2022-09-04T14:37:59.849657Z",
"updated_at": "2022-09-04T14:37:59.849681Z",
"structure_string": "Sm2 Cd1 In1\n1.0\n4.659628 0.000000 2.690237\n1.553209 4.393139 2.690237\n-0.000000 -0.000000 5.380475\nSm Cd In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Sm\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.03631726897540258,
"volume": 110.14044042543978,
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"formula_full": "Sm2 Cd1 In1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37262",
"created_at": "2022-09-04T14:37:46.000674Z",
"updated_at": "2022-09-04T14:37:46.000696Z",
"structure_string": "Sm2 Cd1 Ir1\n1.0\n-0.000000 3.616856 3.616856\n3.616856 0.000000 3.616856\n3.616856 3.616856 -0.000000\nSm Cd Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500001 Sm\n0.250000 0.250000 0.250000 Cd\n0.750002 0.750002 0.750002 Ir\n",
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"density": 10.62259341191308,
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"volume": 94.62886923271068,
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"formula_full": "Sm2 Cd1 Ir1",
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},
{
"id": "jvasp-105305",
"created_at": "2022-09-04T14:36:57.484786Z",
"updated_at": "2022-09-04T14:36:57.484824Z",
"structure_string": "Sm2 Cd1 Ni2\n1.0\n7.439722 0.014425 0.000000\n-6.407666 3.780408 0.000000\n0.000000 0.000000 3.745849\nSm Cd Ni\n2 1 2\ndirect\n0.636847 0.363152 0.500000 Sm\n0.363152 0.636848 0.500000 Sm\n0.000000 0.000000 0.000000 Cd\n0.799510 0.200488 -0.000000 Ni\n0.200489 0.799511 -0.000000 Ni\n",
"nsites": 5,
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"density": 8.334479545264198,
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"formula_full": "Sm2 Cd1 Ni2",
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{
"id": "jvasp-104697",
"created_at": "2022-09-04T14:36:50.593231Z",
"updated_at": "2022-09-04T14:36:50.593259Z",
"structure_string": "Sm2 Cd1 Sb4\n1.0\n4.342186 0.000000 0.000000\n0.000000 4.342186 0.000000\n0.000000 0.000000 10.775814\nSm Cd Sb\n2 1 4\ndirect\n0.500000 -0.000000 0.765874 Sm\n-0.000000 0.500000 0.234126 Sm\n0.500000 0.500000 0.500000 Cd\n0.500000 -0.000000 0.324566 Sb\n-0.000000 0.500000 0.675433 Sb\n0.500000 0.500000 -0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 7,
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"volume": 203.17343913888837,
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-110544",
"created_at": "2022-09-04T14:38:40.337709Z",
"updated_at": "2022-09-04T14:38:40.337726Z",
"structure_string": "Sm2 Cd2 In2\n1.0\n4.881353 0.000000 -0.000000\n-2.440677 4.227376 0.000000\n-0.000000 -0.000000 7.604416\nSm Cd In\n2 2 2\ndirect\n0.000000 0.000000 0.262171 Sm\n0.000000 0.000000 0.737830 Sm\n0.333333 0.666668 0.475044 Cd\n0.666666 0.333333 0.524957 Cd\n0.666666 0.333333 0.945062 In\n0.333333 0.666668 0.054939 In\n",
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},
{
"id": "jvasp-37447",
"created_at": "2022-09-04T14:37:49.632222Z",
"updated_at": "2022-09-04T14:37:49.632241Z",
"structure_string": "Sm2 Cd6\n1.0\n3.348231 -5.799305 0.000000\n3.348231 5.799305 0.000000\n0.000000 0.000000 4.976790\nSm Cd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.161112 0.322224 0.250000 Cd\n0.677775 0.838887 0.250000 Cd\n0.161112 0.838888 0.250000 Cd\n0.838887 0.677775 0.750000 Cd\n0.322224 0.161112 0.750000 Cd\n0.838888 0.161112 0.750000 Cd\n",
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{
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"created_at": "2022-09-04T14:37:03.225945Z",
"updated_at": "2022-09-04T14:37:03.225972Z",
"structure_string": "Sm2 Cl2 F2\n1.0\n3.649206 -0.000000 0.000000\n-0.000000 3.649206 0.000000\n-0.000000 -0.000000 8.352739\nSm Cl F\n2 2 2\ndirect\n0.250000 0.250000 0.203153 Sm\n0.750001 0.750001 0.796847 Sm\n0.250000 0.250000 0.641386 Cl\n0.750001 0.750001 0.358614 Cl\n0.750001 0.250000 0.000000 F\n0.250000 0.750001 0.000000 F\n",
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}