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"results": [
{
"id": "jvasp-36620",
"created_at": "2022-09-04T14:37:29.796448Z",
"updated_at": "2022-09-04T14:37:29.796475Z",
"structure_string": "Cd1 Os1 O3\n1.0\n3.937667 0.000000 -0.000000\n-0.000000 3.937667 0.000000\n0.000000 -0.000000 3.937667\nCd Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Os",
"O"
],
"chemical_system": "Cd-O-Os",
"density": 9.536578900051948,
"density_atomic": 0.08189418143323052,
"volume": 61.054398645849716,
"volume_molar": 7.353563653249207,
"formula_full": "Cd1 Os1 O3",
"formula_reduced": "CdOsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.24678705,
"spacegroup": 221
},
{
"id": "jvasp-51180",
"created_at": "2022-09-04T14:37:04.644605Z",
"updated_at": "2022-09-04T14:37:04.644615Z",
"structure_string": "Cd1 P1 Os2\n1.0\n0.000000 3.167891 3.167891\n3.167891 -0.000000 3.167891\n3.167891 3.167891 -0.000000\nCd P Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
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"elements": [
"Cd",
"P",
"Os"
],
"chemical_system": "Cd-Os-P",
"density": 13.680784982742349,
"density_atomic": 0.06290994499003122,
"volume": 63.582951799335454,
"volume_molar": 9.572637141797335,
"formula_full": "Cd1 P1 Os2",
"formula_reduced": "CdPOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4602813125,
"spacegroup": 216
},
{
"id": "jvasp-94908",
"created_at": "2022-09-04T14:36:37.696227Z",
"updated_at": "2022-09-04T14:36:37.696241Z",
"structure_string": "Cd1 P1 Pd5\n1.0\n3.972441 -0.000000 -0.000000\n-0.000000 3.972441 -0.000000\n0.000000 0.000000 7.050692\nCd P Pd\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.700345 Pd\n0.000000 0.500000 0.700345 Pd\n0.500000 0.000000 0.299655 Pd\n0.000000 0.500000 0.299655 Pd\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"P",
"Pd"
],
"chemical_system": "Cd-P-Pd",
"density": 10.081333899145049,
"density_atomic": 0.06291459209428345,
"volume": 111.26194682324,
"volume_molar": 9.571930071445516,
"formula_full": "Cd1 P1 Pd5",
"formula_reduced": "CdPPd5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.4721319642857145,
"spacegroup": 123
},
{
"id": "jvasp-35391",
"created_at": "2022-09-04T14:37:48.848377Z",
"updated_at": "2022-09-04T14:37:48.848402Z",
"structure_string": "Cd1 P1 Pt5\n1.0\n3.975711 0.000000 -0.000000\n0.000000 3.975711 0.000000\n-0.000000 -0.000000 7.164726\nCd P Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.298021 Pt\n0.000000 0.500000 0.701980 Pt\n0.500000 0.000000 0.298021 Pt\n0.500000 0.000000 0.701980 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"P",
"Pt"
],
"chemical_system": "Cd-P-Pt",
"density": 16.404923235450607,
"density_atomic": 0.06181143680233387,
"volume": 113.24765063114816,
"volume_molar": 9.742761326286816,
"formula_full": "Cd1 P1 Pt5",
"formula_reduced": "CdPPt5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.269650321428572,
"spacegroup": 123
},
{
"id": "jvasp-115845",
"created_at": "2022-09-04T14:38:39.580682Z",
"updated_at": "2022-09-04T14:38:39.580698Z",
"structure_string": "Cd1 P1 S4\n1.0\n-2.845443 2.845443 4.489913\n2.845443 -2.845443 4.489913\n2.845443 2.845443 -4.489913\nCd P S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.250000 0.500000 P\n0.806659 0.374606 0.926598 S\n0.448008 0.880060 0.073402 S\n0.625393 0.551991 0.432052 S\n0.119939 0.193341 0.567947 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cd",
"P",
"S"
],
"chemical_system": "Cd-P-S",
"density": 3.1020781518517717,
"density_atomic": 0.04126231144209105,
"volume": 145.41114615987055,
"volume_molar": 14.594773170794566,
"formula_full": "Cd1 P1 S4",
"formula_reduced": "CdPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.563299208333333,
"spacegroup": 82
},
{
"id": "jvasp-118013",
"created_at": "2022-09-04T14:38:54.106384Z",
"updated_at": "2022-09-04T14:38:54.106419Z",
"structure_string": "Cd1 P1 S4\n1.0\n-3.210766 2.493801 4.401914\n3.210766 -2.493801 4.401914\n3.210766 2.493801 -4.401914\nCd P S\n1 1 4\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 P\n0.628036 0.675730 0.568633 S\n0.371964 -0.059405 0.047693 S\n0.892902 0.324269 -0.047694 S\n0.107098 0.059403 0.431367 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cd",
"P",
"S"
],
"chemical_system": "Cd-P-S",
"density": 3.1994729119504224,
"density_atomic": 0.04255780843710366,
"volume": 140.98470340331133,
"volume_molar": 14.150495481693198,
"formula_full": "Cd1 P1 S4",
"formula_reduced": "CdPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.569479208333333,
"spacegroup": 23
},
{
"id": "jvasp-115853",
"created_at": "2022-09-04T14:38:47.699467Z",
"updated_at": "2022-09-04T14:38:47.699491Z",
"structure_string": "Cd1 P2\n1.0\n4.297456 -0.042242 0.033225\n1.602577 -5.559379 -0.316428\n-1.262443 1.776233 -2.516488\nCd P\n1 2\ndirect\n0.066151 0.210930 0.095899 Cd\n0.603723 0.862013 0.018504 P\n0.528625 0.559881 0.178059 P\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"P"
],
"chemical_system": "Cd-P",
"density": 4.6539542278285335,
"density_atomic": 0.04822265092172837,
"volume": 62.211428502124235,
"volume_molar": 12.488199310682269,
"formula_full": "Cd1 P2",
"formula_reduced": "CdP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4773408333333335,
"spacegroup": 12
},
{
"id": "jvasp-115855",
"created_at": "2022-09-04T14:38:48.827771Z",
"updated_at": "2022-09-04T14:38:48.827795Z",
"structure_string": "Cd1 P2\n1.0\n5.384769 0.000000 0.000000\n0.000000 5.129110 0.000000\n0.000000 0.000000 2.684379\nCd P\n1 2\ndirect\n0.000000 0.423984 0.000000 Cd\n0.207883 0.924008 0.000000 P\n0.792117 0.924008 0.000000 P\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"P"
],
"chemical_system": "Cd-P",
"density": 3.905164729912465,
"density_atomic": 0.04046395523968885,
"volume": 74.14005828717076,
"volume_molar": 14.882728898664894,
"formula_full": "Cd1 P2",
"formula_reduced": "CdP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6306108333333336,
"spacegroup": 47
},
{
"id": "jvasp-114761",
"created_at": "2022-09-04T14:38:41.150577Z",
"updated_at": "2022-09-04T14:38:41.150602Z",
"structure_string": "Cd1 P3\n1.0\n5.412659 -0.218017 -0.877875\n4.753612 -5.677702 -1.036282\n2.117770 -2.934381 -3.249206\nCd P\n1 3\ndirect\n0.377587 0.688975 0.858228 Cd\n0.832526 0.234075 0.767787 P\n0.471173 0.142275 0.858541 P\n0.831374 0.688362 -0.047431 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"P"
],
"chemical_system": "Cd-P",
"density": 4.148229401418371,
"density_atomic": 0.04866496517502358,
"volume": 82.19465452433793,
"volume_molar": 12.374694481628348,
"formula_full": "Cd1 P3",
"formula_reduced": "CdP3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9721620000000009,
"spacegroup": 155
},
{
"id": "jvasp-31176",
"created_at": "2022-09-04T14:37:26.884711Z",
"updated_at": "2022-09-04T14:37:26.884746Z",
"structure_string": "Cd1 Pb1 F6\n1.0\n5.980304 0.083589 0.056662\n3.584829 4.787486 0.056662\n3.584829 1.825586 4.426112\nCd Pb F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Cd\n0.000000 0.000000 0.000000 Pb\n0.074613 0.406522 0.759517 F\n0.406520 0.759519 0.074612 F\n0.759517 0.074614 0.406520 F\n0.240482 0.925389 0.593478 F\n0.593479 0.240484 0.925386 F\n0.925386 0.593481 0.240481 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Pb",
"F"
],
"chemical_system": "Cd-F-Pb",
"density": 5.7975358590988115,
"density_atomic": 0.06441598292020712,
"volume": 124.1927800730713,
"volume_molar": 9.348830037196981,
"formula_full": "Cd1 Pb1 F6",
"formula_reduced": "CdPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-106111",
"created_at": "2022-09-04T14:36:22.091028Z",
"updated_at": "2022-09-04T14:36:22.091046Z",
"structure_string": "Cd1 Pb1 S2\n1.0\n4.074172 0.000000 -0.000000\n0.000000 4.074172 0.000000\n-0.000000 0.000000 5.749019\nCd Pb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
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"elements": [
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"Pb",
"S"
],
"chemical_system": "Cd-Pb-S",
"density": 6.677514457734835,
"density_atomic": 0.04191674280862455,
"volume": 95.42726204329462,
"volume_molar": 14.366910109153137,
"formula_full": "Cd1 Pb1 S2",
"formula_reduced": "CdPbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3966426425,
"spacegroup": 123
},
{
"id": "jvasp-94842",
"created_at": "2022-09-04T14:36:03.152565Z",
"updated_at": "2022-09-04T14:36:03.152590Z",
"structure_string": "Cd1 Pb2 Cl2 O2\n1.0\n0.000000 -3.875730 0.000000\n5.215121 -1.937865 -3.318093\n5.221716 -1.937865 4.295976\nCd Pb Cl O\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.186548 0.383257 0.243644 Pb\n0.813449 0.616743 0.756357 Pb\n0.436142 0.823141 0.304571 Cl\n0.563855 0.176858 0.695430 Cl\n0.193256 0.683471 0.930013 O\n0.806741 0.316528 0.069988 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Pb",
"Cl",
"O"
],
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"density": 6.790780711153135,
"density_atomic": 0.04545943762073729,
"volume": 153.9834271246418,
"volume_molar": 13.247283897882784,
"formula_full": "Cd1 Pb2 Cl2 O2",
"formula_reduced": "CdPb2(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.4053837892857141,
"spacegroup": 12
}
]
}