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{
"id": "jvasp-103234",
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"updated_at": "2022-09-04T14:36:58.024895Z",
"structure_string": "Ca1 Ce1 Cd2\n1.0\n4.660358 0.000000 2.690659\n1.553452 4.393828 2.690659\n-0.000000 -0.000000 5.381318\nCa Ce Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
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{
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"structure_string": "Ca1 Ce1 Ag2\n1.0\n-0.000000 3.687723 3.687723\n3.687723 0.000000 3.687723\n3.687723 3.687723 -0.000000\nCa Ce Ag\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Ce\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
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{
"id": "jvasp-39514",
"created_at": "2022-09-04T14:37:53.969457Z",
"updated_at": "2022-09-04T14:37:53.969476Z",
"structure_string": "Ca1 Cd1 Si1\n1.0\n4.079403 -0.000002 2.355242\n1.359801 3.846096 2.355239\n-0.000002 -0.000004 4.710486\nCa Cd Si\n1 1 1\ndirect\n0.499999 0.500001 0.500000 Ca\n0.250000 0.250001 0.250000 Cd\n0.000000 0.000000 0.000000 Si\n",
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"density_atomic": 0.04059181531495115,
"volume": 73.90652467062769,
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"formula_full": "Ca1 Cd1 Si1",
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{
"id": "jvasp-2556",
"created_at": "2022-09-04T14:36:47.636451Z",
"updated_at": "2022-09-04T14:36:47.636470Z",
"structure_string": "Ca1 Cd2 Sb2\n1.0\n2.349967 -4.070262 0.000000\n2.349967 4.070262 0.000000\n0.000000 0.000000 7.595488\nCa Cd Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.369562 Cd\n0.333334 0.666668 0.630439 Cd\n0.666668 0.333334 0.766857 Sb\n0.333334 0.666668 0.233144 Sb\n",
"nsites": 5,
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"density": 5.810344959561118,
"density_atomic": 0.03441123010771174,
"volume": 145.30140260459544,
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"formula_full": "Ca1 Cd2 Sb2",
"formula_reduced": "Ca(CdSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-117110",
"created_at": "2022-09-04T14:38:45.417913Z",
"updated_at": "2022-09-04T14:38:45.417938Z",
"structure_string": "Ca4 Cd4 Pt4\n1.0\n4.272239 -0.000000 0.000000\n0.000000 7.265380 0.000000\n-0.000000 -0.000000 8.647892\nCa Cd Pt\n4 4 4\ndirect\n0.250000 0.037821 0.322498 Ca\n0.250000 0.537821 0.177502 Ca\n0.750000 0.962179 0.677502 Ca\n0.750000 0.462179 0.822498 Ca\n0.250000 0.141621 0.936559 Cd\n0.250000 0.641621 0.563441 Cd\n0.750000 0.858379 0.063441 Cd\n0.750000 0.358379 0.436559 Cd\n0.250000 0.252993 0.629096 Pt\n0.250000 0.752993 0.870904 Pt\n0.750000 0.747007 0.370904 Pt\n0.750000 0.247007 0.129096 Pt\n",
"nsites": 12,
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"chemical_system": "Ca-Cd-Pt",
"density": 8.600644357434703,
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"volume": 268.42572300827453,
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"formula_full": "Ca4 Cd4 Pt4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-40105",
"created_at": "2022-09-04T14:37:48.584668Z",
"updated_at": "2022-09-04T14:37:48.584685Z",
"structure_string": "Ca1 Cd1 Pd2\n1.0\n0.000000 3.373781 3.373781\n3.373781 -0.000000 3.373781\n3.373781 3.373781 0.000000\nCa Cd Pd\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ca\n0.750001 0.750001 0.750001 Cd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ca1 Cd1 Pd2",
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{
"id": "jvasp-54631",
"created_at": "2022-09-04T14:38:35.048073Z",
"updated_at": "2022-09-04T14:38:35.048095Z",
"structure_string": "Ca3 Cd3 Pb3\n1.0\n3.925319 -6.798851 0.000000\n3.925319 6.798851 -0.000000\n-0.000000 -0.000000 4.721859\nCa Cd Pb\n3 3 3\ndirect\n0.424301 0.424301 0.500000 Ca\n0.000000 0.575699 0.500000 Ca\n0.575699 0.000000 0.500000 Ca\n0.000000 0.252169 0.000000 Cd\n0.252169 0.000000 0.000000 Cd\n0.747831 0.747831 0.000000 Cd\n0.000000 0.000000 0.500000 Pb\n0.666667 0.333333 0.000000 Pb\n0.333333 0.666667 0.000000 Pb\n",
"nsites": 9,
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"density": 7.109581197304483,
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"volume": 252.03072575614087,
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"formula_full": "Ca3 Cd3 Pb3",
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"formula_anonymous": "ABC",
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"spacegroup": 189
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{
"id": "jvasp-3006",
"created_at": "2022-09-04T14:36:43.231882Z",
"updated_at": "2022-09-04T14:36:43.231906Z",
"structure_string": "Ca1 Cd2 P2\n1.0\n2.153571 -3.730094 0.000000\n2.153571 3.730094 0.000000\n0.000000 0.000000 7.037127\nCa Cd P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.361314 Cd\n0.666667 0.333333 0.638687 Cd\n0.666667 0.333333 0.236100 P\n0.333333 0.666667 0.763900 P\n",
"nsites": 5,
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"formula_full": "Ca1 Cd2 P2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-52274",
"created_at": "2022-09-04T14:36:35.869913Z",
"updated_at": "2022-09-04T14:36:35.869936Z",
"structure_string": "Ca1 Cd1 O2\n1.0\n3.381899 0.000000 0.000000\n0.000000 3.381899 0.000000\n-0.000000 0.000000 4.769149\nCa Cd O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 4,
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"formula_full": "Ca1 Cd1 O2",
"formula_reduced": "CaCdO2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-114707",
"created_at": "2022-09-04T14:38:42.355013Z",
"updated_at": "2022-09-04T14:38:42.355045Z",
"structure_string": "Ca1 Cd1 O1\n1.0\n4.210691 0.000000 0.000000\n0.000000 4.210691 0.000000\n0.000000 0.000000 7.094899\nCa Cd O\n1 1 1\ndirect\n0.000000 0.000000 0.272300 Ca\n0.000000 0.000000 0.708942 Cd\n0.000000 0.000000 -0.000851 O\n",
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"density": 2.2241605947295344,
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},
{
"id": "jvasp-39994",
"created_at": "2022-09-04T14:37:41.576356Z",
"updated_at": "2022-09-04T14:37:41.576375Z",
"structure_string": "Ca1 Cd1 Hg2\n1.0\n-0.000000 3.640393 3.640393\n3.640393 -0.000000 3.640393\n3.640393 3.640393 0.000000\nCa Cd Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.749999 0.749999 0.749999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-7822",
"created_at": "2022-09-04T14:37:06.216662Z",
"updated_at": "2022-09-04T14:37:06.216673Z",
"structure_string": "Ca3 Cd3 Ge3\n1.0\n3.680755 -6.375254 0.000000\n3.680755 6.375254 0.000000\n0.000000 -0.000000 4.455059\nCa Cd Ge\n3 3 3\ndirect\n0.582443 0.000001 0.500000 Ca\n0.000001 0.582443 0.500000 Ca\n0.417558 0.417558 0.500000 Ca\n0.744529 0.744529 0.000000 Cd\n0.255472 0.000000 0.000000 Cd\n0.000000 0.255472 0.000000 Cd\n0.666668 0.333334 0.000000 Ge\n0.333334 0.666668 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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"formula_full": "Ca3 Cd3 Ge3",
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"spacegroup": 189
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}