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{
"id": "jvasp-81282",
"created_at": "2022-09-04T14:37:14.220228Z",
"updated_at": "2022-09-04T14:37:14.220247Z",
"structure_string": "Sr2 Cd1 Ag1\n1.0\n-15.927771 0.000000 -9.195903\n-9.349810 -0.475593 -2.197459\n-8.201664 2.771855 -4.186108\nSr Cd Ag\n2 1 1\ndirect\n0.836667 0.000001 0.000000 Sr\n0.163333 0.000000 0.000000 Sr\n0.500000 0.000000 0.000000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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"volume": 145.46698548642036,
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{
"id": "jvasp-76945",
"created_at": "2022-09-04T14:38:13.204567Z",
"updated_at": "2022-09-04T14:38:13.204591Z",
"structure_string": "Sr2 Cd1 Ag1\n1.0\n-11.747654 -0.000008 -6.782497\n-7.438103 -1.217065 -0.681853\n-5.821519 3.355302 -3.481840\nSr Cd Ag\n2 1 1\ndirect\n0.775016 -0.000001 -0.000000 Sr\n0.224985 0.000000 -0.000001 Sr\n0.500001 -0.000001 -0.000001 Cd\n-0.000000 0.000000 0.000000 Ag\n",
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"formula_full": "Sr2 Cd1 Ag1",
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{
"id": "jvasp-40568",
"created_at": "2022-09-04T14:37:42.926950Z",
"updated_at": "2022-09-04T14:37:42.926969Z",
"structure_string": "Sm1 Cd1 Ag2\n1.0\n0.000000 3.523266 3.523266\n3.523266 0.000000 3.523266\n3.523266 3.523266 -0.000000\nSm Cd Ag\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sm\n0.249999 0.249999 0.249999 Cd\n0.500001 0.500001 0.500001 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.083881531881127,
"density_atomic": 0.04572920983128558,
"volume": 87.47144362996198,
"volume_molar": 13.16913365050091,
"formula_full": "Sm1 Cd1 Ag2",
"formula_reduced": "SmCdAg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-103115",
"created_at": "2022-09-04T14:36:45.458534Z",
"updated_at": "2022-09-04T14:36:45.458569Z",
"structure_string": "Cd1 Ag2 Sn1 Se4\n1.0\n4.291149 0.000000 0.000000\n0.000000 7.098830 -0.028998\n0.000000 -0.034872 7.521500\nCd Ag Sn Se\n1 2 1 4\ndirect\n0.000000 0.107648 0.825184 Cd\n0.500000 0.131278 0.325699 Ag\n0.500000 0.646881 0.692032 Ag\n0.000000 0.631370 0.158730 Sn\n0.500000 0.505344 0.341571 Se\n0.000000 0.494033 0.841074 Se\n0.500000 0.009420 0.651542 Se\n0.000000 0.994427 0.164165 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Sn",
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],
"chemical_system": "Ag-Cd-Se-Sn",
"density": 5.527703730458633,
"density_atomic": 0.034916715285409725,
"volume": 229.11662608031386,
"volume_molar": 17.247157158899217,
"formula_full": "Cd1 Ag2 Sn1 Se4",
"formula_reduced": "CdAg2SnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.4834724295833332,
"spacegroup": 6
},
{
"id": "jvasp-39111",
"created_at": "2022-09-04T14:37:46.906383Z",
"updated_at": "2022-09-04T14:37:46.906403Z",
"structure_string": "Sc2 Cd1 Ag1\n1.0\n0.000000 3.466689 3.466689\n3.466689 0.000000 3.466689\n3.466689 3.466689 0.000000\nSc Cd Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Cd-Sc",
"density": 6.181639594670334,
"density_atomic": 0.04800487557571473,
"volume": 83.32486965185609,
"volume_molar": 12.54485234630324,
"formula_full": "Sc2 Cd1 Ag1",
"formula_reduced": "Sc2CdAg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40240",
"created_at": "2022-09-04T14:37:48.151313Z",
"updated_at": "2022-09-04T14:37:48.151339Z",
"structure_string": "Sc1 Cd1 Ag2\n1.0\n-0.000000 3.369828 3.369828\n3.369828 0.000000 3.369828\n3.369828 3.369828 0.000000\nSc Cd Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sc\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.499999 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.095151900736088,
"density_atomic": 0.052264499047557395,
"volume": 76.53378627737831,
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"formula_full": "Sc1 Cd1 Ag2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-78646",
"created_at": "2022-09-04T14:36:39.154088Z",
"updated_at": "2022-09-04T14:36:39.154107Z",
"structure_string": "Cd1 Ag1 Sb1\n1.0\n4.085885 0.000000 2.358987\n1.361961 3.852210 2.358987\n0.000000 0.000000 4.717975\nCd Ag Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Cd\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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],
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"density": 7.64844681213153,
"density_atomic": 0.04039889870571564,
"volume": 74.2594500373239,
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"formula_full": "Cd1 Ag1 Sb1",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-41739",
"created_at": "2022-09-04T14:37:41.883954Z",
"updated_at": "2022-09-04T14:37:41.883980Z",
"structure_string": "Cd2 Ag1 Rh1\n1.0\n-0.000002 3.287063 3.287065\n3.287065 -0.000003 3.287067\n3.287066 3.287066 -0.000004\nCd Ag Rh\n2 1 1\ndirect\n0.500000 0.500001 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250001 0.250000 Ag\n0.750000 0.750002 0.750000 Rh\n",
"nsites": 4,
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],
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"density": 10.183031395167163,
"density_atomic": 0.05631244610209695,
"volume": 71.03225444598559,
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"formula_full": "Cd2 Ag1 Rh1",
"formula_reduced": "Cd2AgRh",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-101547",
"created_at": "2022-09-04T14:36:39.149753Z",
"updated_at": "2022-09-04T14:36:39.149770Z",
"structure_string": "Cd2 Ag1 Pt1\n1.0\n4.070857 -0.000000 2.350310\n1.356952 3.838041 2.350310\n-0.000000 -0.000000 4.700621\nCd Ag Pt\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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],
"chemical_system": "Ag-Cd-Pt",
"density": 11.932915367644878,
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"formula_full": "Cd2 Ag1 Pt1",
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},
{
"id": "jvasp-37684",
"created_at": "2022-09-04T14:38:01.520360Z",
"updated_at": "2022-09-04T14:38:01.520392Z",
"structure_string": "Pr2 Cd1 Ag1\n1.0\n0.000000 3.814416 3.814416\n3.814416 0.000000 3.814416\n3.814416 3.814416 -0.000000\nPr Cd Ag\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Pr\n0.000000 0.000000 0.000000 Pr\n0.750001 0.750001 0.750001 Cd\n0.250001 0.250001 0.250001 Ag\n",
"nsites": 4,
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],
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"density": 7.51139152167022,
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"volume": 110.99774655197349,
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"formula_full": "Pr2 Cd1 Ag1",
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},
{
"id": "jvasp-42030",
"created_at": "2022-09-04T14:37:36.503277Z",
"updated_at": "2022-09-04T14:37:36.503301Z",
"structure_string": "Pr1 Cd1 Ag2\n1.0\n-0.000000 3.576770 3.576770\n3.576770 -0.000000 3.576770\n3.576770 3.576770 0.000000\nPr Cd Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.249999 0.249999 0.249999 Cd\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.510790009994995,
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},
{
"id": "jvasp-42112",
"created_at": "2022-09-04T14:37:32.594407Z",
"updated_at": "2022-09-04T14:37:32.594428Z",
"structure_string": "Pm1 Cd1 Ag2\n1.0\n-0.000000 3.536747 3.536747\n3.536747 0.000000 3.536747\n3.536747 3.536747 0.000000\nPm Cd Ag\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Pm\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.499999 Ag\n",
"nsites": 4,
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],
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"formula_full": "Pm1 Cd1 Ag2",
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}
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