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{
"id": "jvasp-38781",
"created_at": "2022-09-04T14:37:46.147544Z",
"updated_at": "2022-09-04T14:37:46.147559Z",
"structure_string": "Zn1 Pd2 Au1\n1.0\n0.000000 3.155557 3.155557\n3.155557 -0.000000 3.155557\n3.155557 3.155557 0.000000\nZn Pd Au\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Zn\n0.000000 0.000000 0.000000 Pd\n0.500002 0.500002 0.500002 Pd\n0.249999 0.249999 0.249999 Au\n",
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{
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"structure_string": "Zn1 Pd1 F6\n1.0\n4.414196 0.010922 3.141506\n1.625995 4.103826 3.141506\n0.016032 0.010922 5.417927\nZn Pd F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Zn\n0.000000 0.000000 0.000000 Pd\n0.398506 0.087119 0.759839 F\n0.087118 0.759839 0.398507 F\n0.240161 0.601494 0.912882 F\n0.912881 0.240161 0.601496 F\n0.601493 0.912881 0.240163 F\n0.759838 0.398506 0.087120 F\n",
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{
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"structure_string": "Zn4 Pd2 O8\n1.0\n5.294693 0.000000 3.056893\n1.764897 4.991885 3.056893\n0.000000 -0.000000 6.113786\nZn Pd O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 -0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.875000 0.874999 0.875000 Pd\n0.125000 0.125000 0.125000 Pd\n0.740836 0.740835 0.740835 O\n0.259165 0.259164 0.722505 O\n0.259165 0.722504 0.259164 O\n0.722505 0.259164 0.259165 O\n0.740835 0.277495 0.740836 O\n0.277495 0.740835 0.740836 O\n0.259165 0.259164 0.259165 O\n0.740836 0.740835 0.277495 O\n",
"nsites": 14,
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"density": 6.191128242402306,
"density_atomic": 0.08663880373465094,
"volume": 161.59041210769558,
"volume_molar": 6.950858622706793,
"formula_full": "Zn4 Pd2 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-37635",
"created_at": "2022-09-04T14:37:55.226145Z",
"updated_at": "2022-09-04T14:37:55.226162Z",
"structure_string": "Zn2 Pd1 Pt1\n1.0\n0.000000 3.075551 3.075551\n3.075551 -0.000000 3.075551\n3.075551 3.075551 0.000000\nZn Pd Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"volume": 58.183359648023014,
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"formula_full": "Zn2 Pd1 Pt1",
"formula_reduced": "Zn2PdPt",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41134",
"created_at": "2022-09-04T14:37:34.748590Z",
"updated_at": "2022-09-04T14:37:34.748621Z",
"structure_string": "Zn2 Pd1 Rh1\n1.0\n0.000000 3.039728 3.039728\n3.039728 0.000000 3.039728\n3.039728 3.039728 -0.000000\nZn Pd Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"elements": [
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"volume": 56.17384705822792,
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"formula_full": "Zn2 Pd1 Rh1",
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},
{
"id": "jvasp-35414",
"created_at": "2022-09-04T14:37:35.641443Z",
"updated_at": "2022-09-04T14:37:35.641468Z",
"structure_string": "Zn1 Pd5 Se1\n1.0\n3.981270 0.000000 0.000000\n0.000000 3.981270 0.000000\n0.000000 -0.000000 7.103118\nZn Pd Se\n1 5 1\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.270010 Pd\n0.000000 0.500000 0.729990 Pd\n0.500000 0.000000 0.270010 Pd\n0.500000 0.000000 0.729990 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Se\n",
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"elements": [
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"density": 9.977108717756577,
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"volume": 112.58804866430462,
"volume_molar": 9.686015385002461,
"formula_full": "Zn1 Pd5 Se1",
"formula_reduced": "ZnPd5Se",
"formula_anonymous": "ABC5",
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"spacegroup": 123
},
{
"id": "jvasp-2748",
"created_at": "2022-09-04T14:37:50.397986Z",
"updated_at": "2022-09-04T14:37:50.397998Z",
"structure_string": "Zn1 Pt1 F6\n1.0\n4.439987 0.014124 3.182475\n1.642092 4.125192 3.182475\n0.020753 0.014124 5.462709\nZn Pt F\n1 1 6\ndirect\n0.500000 0.499999 0.500000 Zn\n0.000000 0.000000 0.000000 Pt\n0.402634 0.085939 0.757974 F\n0.085940 0.757973 0.402634 F\n0.242026 0.597365 0.914060 F\n0.914060 0.242025 0.597366 F\n0.597366 0.914058 0.242025 F\n0.757975 0.402633 0.085939 F\n",
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"density_atomic": 0.08037785584094244,
"volume": 99.52990057150794,
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"formula_full": "Zn1 Pt1 F6",
"formula_reduced": "ZnPtF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-13305",
"created_at": "2022-09-04T14:36:50.548954Z",
"updated_at": "2022-09-04T14:36:50.548965Z",
"structure_string": "Zn4 Pt2 O8\n1.0\n6.138705 0.032240 0.109225\n3.097273 5.364634 0.000000\n3.167840 1.747469 4.960625\nZn Pt O\n4 2 8\ndirect\n0.976224 0.023777 0.976224 Zn\n0.273776 0.226224 0.273776 Zn\n0.125000 0.624999 0.625000 Zn\n0.625001 0.625000 0.124999 Zn\n0.625000 0.125000 0.625000 Pt\n0.625000 0.625000 0.625000 Pt\n0.392640 0.375492 0.392640 O\n0.392640 0.839229 0.392640 O\n0.398955 0.374192 0.852659 O\n0.852660 0.374192 0.398954 O\n0.397341 0.875807 0.851046 O\n0.857361 0.410771 0.857360 O\n0.851046 0.875807 0.397341 O\n0.857360 0.874508 0.857360 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 8.012793297990635,
"density_atomic": 0.0866323494473241,
"volume": 161.6024509240922,
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"formula_full": "Zn4 Pt2 O8",
"formula_reduced": "Zn2PtO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"id": "jvasp-10220",
"created_at": "2022-09-04T14:38:11.666525Z",
"updated_at": "2022-09-04T14:38:11.666554Z",
"structure_string": "Zn1 Pt3 O6\n1.0\n3.207494 0.000000 0.000000\n0.000000 5.837157 -1.988615\n0.000000 -0.005666 6.166600\nZn Pt O\n1 3 6\ndirect\n0.000000 0.500000 0.500000 Zn\n0.499999 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.499999 -0.000000 0.500000 Pt\n0.000000 0.917499 0.661955 O\n0.000000 0.082501 0.338046 O\n0.000000 0.661954 0.917499 O\n0.000000 0.338046 0.082502 O\n0.499999 0.350836 0.649164 O\n0.499999 0.649164 0.350836 O\n",
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"formula_full": "Zn1 Pt3 O6",
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"spacegroup": 65
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{
"id": "jvasp-38821",
"created_at": "2022-09-04T14:38:03.512092Z",
"updated_at": "2022-09-04T14:38:03.512112Z",
"structure_string": "Zn2 Pt1 Rh1\n1.0\n0.000000 3.046941 3.046941\n3.046941 -0.000000 3.046941\n3.046941 3.046941 0.000000\nZn Pt Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Rh\n",
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{
"id": "jvasp-75583",
"created_at": "2022-09-04T14:35:45.679803Z",
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"structure_string": "Zn2 Re1 As1\n1.0\n-0.000000 3.138503 3.138503\n3.138503 0.000000 3.138503\n3.138503 3.138503 0.000000\nZn Re As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.749999 0.749999 0.749999 Zn\n0.250000 0.250000 0.250000 Re\n0.500000 0.500000 0.500000 As\n",
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"volume": 61.82977128669998,
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},
{
"id": "jvasp-75885",
"created_at": "2022-09-04T14:35:50.334521Z",
"updated_at": "2022-09-04T14:35:50.334548Z",
"structure_string": "Zn1 Re2 As1\n1.0\n-0.000000 3.139130 3.139130\n3.139130 0.000000 3.139130\n3.139130 3.139130 0.000000\nZn Re As\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Re\n0.500000 0.500000 0.500000 As\n",
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