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{
"id": "jvasp-39937",
"created_at": "2022-09-04T14:37:47.660817Z",
"updated_at": "2022-09-04T14:37:47.660834Z",
"structure_string": "Cd1 Pt3\n1.0\n4.042729 -0.000000 0.000000\n0.000000 4.042729 0.000000\n-0.000000 -0.000000 4.042729\nCd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
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{
"id": "jvasp-19619",
"created_at": "2022-09-04T14:38:33.267740Z",
"updated_at": "2022-09-04T14:38:33.267767Z",
"structure_string": "Cd2 Pt2\n1.0\n3.905969 -0.000000 0.000000\n0.000000 4.235363 0.000000\n0.000000 0.000000 4.235363\nCd Pt\n2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
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{
"id": "jvasp-79631",
"created_at": "2022-09-04T14:37:17.357087Z",
"updated_at": "2022-09-04T14:37:17.357112Z",
"structure_string": "Cd1 Pt3\n1.0\n0.000000 0.000000 2.862771\n3.949581 2.913486 0.000000\n-3.949581 2.913486 0.000000\nCd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500001 0.500001 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 17.583860241145892,
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"volume": 65.8840920556509,
"volume_molar": 9.919081905098187,
"formula_full": "Cd1 Pt3",
"formula_reduced": "CdPt3",
"formula_anonymous": "AB3",
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"spacegroup": 65
},
{
"id": "jvasp-110766",
"created_at": "2022-09-04T14:38:48.064864Z",
"updated_at": "2022-09-04T14:38:48.064886Z",
"structure_string": "Cd6 Pt2\n1.0\n6.041019 0.000000 0.000000\n-3.020509 5.231676 0.000000\n0.000000 0.000000 4.853782\nCd Pt\n6 2\ndirect\n0.170984 0.341967 0.250000 Cd\n0.658033 0.829017 0.250000 Cd\n0.170984 0.829017 0.250000 Cd\n0.829017 0.658034 0.750000 Cd\n0.341967 0.170984 0.750000 Cd\n0.829017 0.170984 0.750000 Cd\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333334 0.250000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Pt"
],
"chemical_system": "Cd-Pt",
"density": 11.524394607083368,
"density_atomic": 0.0521505242339618,
"volume": 153.4021012734171,
"volume_molar": 11.547613084353664,
"formula_full": "Cd6 Pt2",
"formula_reduced": "Cd3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-8003",
"created_at": "2022-09-04T14:37:04.834829Z",
"updated_at": "2022-09-04T14:37:04.834852Z",
"structure_string": "Cd1 S1\n1.0\n3.616657 -0.000000 2.088078\n1.205553 3.409817 2.088078\n0.000000 0.000000 4.176156\nCd S\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 S\n",
"nsites": 2,
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"elements": [
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"S"
],
"chemical_system": "Cd-S",
"density": 4.658324077760681,
"density_atomic": 0.03883424694989694,
"volume": 51.50093428051674,
"volume_molar": 15.507293775439058,
"formula_full": "Cd1 S1",
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"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-8043",
"created_at": "2022-09-04T14:37:09.958596Z",
"updated_at": "2022-09-04T14:37:09.958608Z",
"structure_string": "Cd1 S1\n1.0\n3.360719 0.000000 1.940312\n1.120240 3.168516 1.940312\n0.000000 0.000000 3.880624\nCd S\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500001 0.499999 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-S",
"density": 5.805707284283138,
"density_atomic": 0.0483994386464088,
"volume": 41.322793320215474,
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"formula_full": "Cd1 S1",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0368299999999999,
"spacegroup": 225
},
{
"id": "jvasp-102912",
"created_at": "2022-09-04T14:38:39.629660Z",
"updated_at": "2022-09-04T14:38:39.629680Z",
"structure_string": "Cd2 S2\n1.0\n3.880404 0.000000 0.000000\n0.000000 3.880300 0.000000\n0.000000 0.000000 5.487704\nCd S\n2 2\ndirect\n0.250050 0.500000 0.500000 Cd\n0.749949 0.000000 0.000000 Cd\n0.249950 0.500000 0.000000 S\n0.750049 0.000000 0.500000 S\n",
"nsites": 4,
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"elements": [
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"density": 5.806866970480671,
"density_atomic": 0.04840910640232866,
"volume": 82.6290815359398,
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"formula_full": "Cd2 S2",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0365749999999999,
"spacegroup": 225
},
{
"id": "jvasp-28393",
"created_at": "2022-09-04T14:36:52.163199Z",
"updated_at": "2022-09-04T14:36:52.163229Z",
"structure_string": "Cd1 S1\n1.0\n4.157742 0.000000 -0.000000\n-2.078872 3.600710 -0.000000\n-0.000000 0.000000 3.965360\nCd S\n1 1\ndirect\n0.666667 0.333333 0.516454 Cd\n0.333333 0.666667 0.360546 S\n",
"nsites": 2,
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"elements": [
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"S"
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"density": 4.0412573154736435,
"density_atomic": 0.03369005289400642,
"volume": 59.36470347174215,
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"formula_full": "Cd1 S1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.155935,
"spacegroup": 156
},
{
"id": "jvasp-95",
"created_at": "2022-09-04T14:37:42.971596Z",
"updated_at": "2022-09-04T14:37:42.971626Z",
"structure_string": "Cd2 S2\n1.0\n2.088763 -3.617842 0.000000\n2.088763 3.617842 0.000000\n0.000000 0.000000 6.819638\nCd S\n2 2\ndirect\n0.666666 0.333332 0.500710 Cd\n0.333332 0.666666 0.000709 Cd\n0.666666 0.333332 0.876291 S\n0.333332 0.666666 0.376291 S\n",
"nsites": 4,
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"elements": [
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"density": 4.655268369203586,
"density_atomic": 0.03880877295136609,
"volume": 103.0694787751386,
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"formula_full": "Cd2 S2",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0001299999999999,
"spacegroup": 186
},
{
"id": "jvasp-110408",
"created_at": "2022-09-04T14:38:38.559455Z",
"updated_at": "2022-09-04T14:38:38.559483Z",
"structure_string": "Cd2 Sb6\n1.0\n6.773417 -0.000000 -0.000000\n-3.386710 5.865952 0.000000\n-0.000000 0.000000 5.478803\nCd Sb\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.173328 0.346654 0.250000 Sb\n0.653346 0.826672 0.250000 Sb\n0.173328 0.826672 0.250000 Sb\n0.826672 0.653345 0.750000 Sb\n0.346655 0.173328 0.750000 Sb\n0.826673 0.173328 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"density": 7.2877614572193545,
"density_atomic": 0.036750054186362645,
"volume": 217.68675385977176,
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"formula_full": "Cd2 Sb6",
"formula_reduced": "CdSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8448230500000001,
"spacegroup": 194
},
{
"id": "jvasp-110604",
"created_at": "2022-09-04T14:38:38.655401Z",
"updated_at": "2022-09-04T14:38:38.655428Z",
"structure_string": "Cd1 Sb1\n1.0\n3.086100 0.000000 0.000000\n0.000000 3.255881 0.000000\n0.000000 0.000000 5.479362\nCd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sb\n",
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"elements": [
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"density": 7.062747768100732,
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"volume": 55.05648885283009,
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"spacegroup": 47
},
{
"id": "jvasp-9087",
"created_at": "2022-09-04T14:37:32.847301Z",
"updated_at": "2022-09-04T14:37:32.847320Z",
"structure_string": "Cd8 Sb8\n1.0\n6.618534 -0.000000 0.000000\n0.000000 8.371657 0.000000\n0.000000 0.000000 8.666078\nCd Sb\n8 8\ndirect\n0.450024 0.122808 0.866656 Cd\n0.950024 0.377192 0.133344 Cd\n0.549975 0.622808 0.633344 Cd\n0.049976 0.877192 0.366656 Cd\n0.549975 0.877192 0.133344 Cd\n0.049976 0.622808 0.866656 Cd\n0.450024 0.377192 0.366656 Cd\n0.950024 0.122808 0.633344 Cd\n0.139408 0.074156 0.104181 Sb\n0.639408 0.425844 0.895820 Sb\n0.860592 0.574156 0.395820 Sb\n0.360592 0.925844 0.604181 Sb\n0.860592 0.925844 0.895820 Sb\n0.360592 0.574156 0.104181 Sb\n0.139408 0.425844 0.604181 Sb\n0.639408 0.074156 0.395820 Sb\n",
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}