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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=4425",
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"results": [
{
"id": "jvasp-2211",
"created_at": "2022-09-04T14:36:56.611558Z",
"updated_at": "2022-09-04T14:36:56.611575Z",
"structure_string": "Al2 Cd1 Se4\n1.0\n5.248257 -0.000000 -2.486932\n-1.178454 5.114239 -2.486932\n0.009395 0.011806 6.801079\nAl Cd Se\n2 1 4\ndirect\n0.250000 0.750000 0.500001 Al\n0.500001 0.500000 0.000001 Al\n0.000000 0.000000 0.000000 Cd\n0.864715 0.873895 0.276812 Se\n0.412097 0.402917 0.276812 Se\n0.126106 0.587904 0.723189 Se\n0.597083 0.135286 0.723189 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cd",
"Se"
],
"chemical_system": "Al-Cd-Se",
"density": 4.379075839670061,
"density_atomic": 0.03828172725112885,
"volume": 182.85486321136634,
"volume_molar": 15.731110355848482,
"formula_full": "Al2 Cd1 Se4",
"formula_reduced": "Al2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0236469738095235,
"spacegroup": 82
},
{
"id": "jvasp-9440",
"created_at": "2022-09-04T14:37:09.977904Z",
"updated_at": "2022-09-04T14:37:09.977934Z",
"structure_string": "Al4 Cd2 Se8\n1.0\n6.692758 0.000000 3.864065\n2.230919 6.309993 3.864065\n0.000000 0.000000 7.728131\nAl Cd Se\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.875001 0.875000 0.875001 Cd\n0.125000 0.125000 0.125000 Cd\n0.263613 0.263613 0.709162 Se\n0.736388 0.736387 0.736388 Se\n0.263613 0.263613 0.263613 Se\n0.736388 0.736387 0.290839 Se\n0.290838 0.736387 0.736388 Se\n0.736388 0.290838 0.736388 Se\n0.709162 0.263613 0.263613 Se\n0.263613 0.709162 0.263613 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Cd",
"Se"
],
"chemical_system": "Al-Cd-Se",
"density": 4.9069372371052316,
"density_atomic": 0.042896273055509214,
"volume": 326.3686796725564,
"volume_molar": 14.038843776024896,
"formula_full": "Al4 Cd2 Se8",
"formula_reduced": "Al2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0308969738095235,
"spacegroup": 227
},
{
"id": "jvasp-39121",
"created_at": "2022-09-04T14:37:50.141655Z",
"updated_at": "2022-09-04T14:37:50.141678Z",
"structure_string": "Sc2 Al1 Cd1\n1.0\n-0.000000 3.457830 3.457830\n3.457830 0.000000 3.457830\n3.457830 3.457830 0.000000\nSc Al Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.249999 0.249999 0.249999 Al\n0.750000 0.750000 0.750000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Cd"
],
"chemical_system": "Al-Cd-Sc",
"density": 4.604903202309853,
"density_atomic": 0.048374788801454856,
"volume": 82.68769950432737,
"volume_molar": 12.448924138391043,
"formula_full": "Sc2 Al1 Cd1",
"formula_reduced": "Sc2AlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1493207625,
"spacegroup": 225
},
{
"id": "jvasp-10594",
"created_at": "2022-09-04T14:37:53.272950Z",
"updated_at": "2022-09-04T14:37:53.272968Z",
"structure_string": "Al4 Cd2 S8\n1.0\n6.336935 -0.000000 3.658631\n2.112312 5.974519 3.658631\n0.000000 0.000000 7.317262\nAl Cd S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.499999 0.500000 0.500000 Al\n0.499999 0.500000 0.000000 Al\n0.874999 0.875000 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.264431 0.264431 0.706706 S\n0.735568 0.735569 0.735569 S\n0.264431 0.264431 0.264431 S\n0.735568 0.735569 0.293294 S\n0.293293 0.735569 0.735569 S\n0.735568 0.293294 0.735569 S\n0.706705 0.264431 0.264431 S\n0.264431 0.706706 0.264431 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cd",
"S"
],
"chemical_system": "Al-Cd-S",
"density": 3.5320859581353448,
"density_atomic": 0.05053557727626916,
"volume": 277.0325531944446,
"volume_molar": 11.916635931708093,
"formula_full": "Al4 Cd2 S8",
"formula_reduced": "Al2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3208536214285715,
"spacegroup": 227
},
{
"id": "jvasp-2481",
"created_at": "2022-09-04T14:36:52.675337Z",
"updated_at": "2022-09-04T14:36:52.675358Z",
"structure_string": "Al2 Cd1 S4\n1.0\n5.039406 0.000000 -2.391539\n-1.134947 4.909939 -2.391539\n-0.022436 -0.028213 6.457964\nAl Cd S\n2 1 4\ndirect\n0.249999 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Cd\n0.911596 0.904236 0.272058 S\n0.360461 0.367821 0.272058 S\n0.095763 0.639539 0.727941 S\n0.632179 0.088404 0.727941 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cd",
"S"
],
"chemical_system": "Al-Cd-S",
"density": 3.074916010793661,
"density_atomic": 0.043994584934601955,
"volume": 159.11049076620486,
"volume_molar": 13.688368168382372,
"formula_full": "Al2 Cd1 S4",
"formula_reduced": "Al2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3184179071428572,
"spacegroup": 82
},
{
"id": "jvasp-106271",
"created_at": "2022-09-04T14:38:38.022096Z",
"updated_at": "2022-09-04T14:38:38.022116Z",
"structure_string": "Pm2 Al1 Cd1\n1.0\n4.607372 -0.000000 2.660068\n1.535791 4.343872 2.660068\n0.000000 -0.000000 5.320135\nPm Al Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Pm\n0.750000 0.750000 0.750002 Pm\n0.500000 0.500000 0.500001 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Al",
"Cd"
],
"chemical_system": "Al-Cd-Pm",
"density": 6.696542663904047,
"density_atomic": 0.03756704545709763,
"volume": 106.47629994134316,
"volume_molar": 16.030381646268705,
"formula_full": "Pm2 Al1 Cd1",
"formula_reduced": "Pm2AlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6455762250000001,
"spacegroup": 225
},
{
"id": "jvasp-45379",
"created_at": "2022-09-04T14:37:09.144935Z",
"updated_at": "2022-09-04T14:37:09.144943Z",
"structure_string": "Al6 Cd4 Te1 O12\n1.0\n7.390615 -0.000000 -2.612977\n-3.695307 6.400459 -2.612977\n0.000000 0.000000 7.838930\nAl Cd Te O\n6 4 1 12\ndirect\n0.499999 0.750000 0.249999 Al\n0.500000 0.250000 0.750000 Al\n0.749999 0.500000 0.249999 Al\n0.250000 0.500000 0.750000 Al\n0.749999 0.250000 0.499999 Al\n0.250000 0.750000 0.499999 Al\n0.642784 0.000000 -0.000000 Cd\n-0.000000 -0.000000 0.642784 Cd\n0.357215 0.357216 0.357215 Cd\n-0.000000 0.642784 -0.000000 Cd\n0.000000 0.000000 0.000000 Te\n0.437132 0.722990 -0.000001 O\n-0.000000 0.437132 0.722989 O\n0.722989 0.437132 -0.000001 O\n-0.000000 0.722990 0.437132 O\n0.714143 0.277011 0.277010 O\n0.277010 0.714144 0.277010 O\n0.722989 0.000000 0.437132 O\n0.285856 0.562868 0.562867 O\n0.562867 0.285856 0.562867 O\n0.277010 0.277011 0.714143 O\n0.562867 0.562868 0.285856 O\n0.437132 -0.000000 0.722989 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Al",
"Cd",
"Te",
"O"
],
"chemical_system": "Al-Cd-O-Te",
"density": 4.169741005565271,
"density_atomic": 0.062026796348620336,
"volume": 370.80747925024167,
"volume_molar": 9.708934064807542,
"formula_full": "Al6 Cd4 Te1 O12",
"formula_reduced": "Al6Cd4TeO12",
"formula_anonymous": "AB4C6D12",
"energy_above_hull": 1.6825158942028984,
"spacegroup": 217
},
{
"id": "jvasp-87857",
"created_at": "2022-09-04T14:36:11.252994Z",
"updated_at": "2022-09-04T14:36:11.253005Z",
"structure_string": "Al8 Cd12 Si12 O48\n1.0\n9.747744 -0.000000 -3.446348\n-4.873872 8.441794 -3.446348\n0.000000 0.000000 10.339044\nAl Cd Si O\n8 12 12 48\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.499999 Al\n0.500000 0.000000 -0.000000 Al\n-0.000000 -0.000000 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.250000 0.375000 0.125000 Cd\n0.250000 0.875000 0.624999 Cd\n0.375000 0.750000 0.125000 Cd\n0.625000 0.250000 0.874999 Cd\n0.125000 0.250000 0.375000 Cd\n0.375000 0.125000 0.250000 Cd\n0.125000 0.375000 0.750000 Cd\n0.750000 0.125000 0.375000 Cd\n0.750000 0.625000 0.874999 Cd\n0.875000 0.625000 0.249999 Cd\n0.875000 0.750000 0.624999 Cd\n0.625000 0.875000 0.749999 Cd\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.750000 0.374999 Si\n0.375000 0.625000 0.749999 Si\n0.750000 0.875000 0.124999 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.749999 Si\n0.750000 0.375000 0.624999 Si\n0.125000 0.750000 0.874999 Si\n0.250000 0.625000 0.375000 Si\n0.188573 0.195058 0.582231 O\n0.304942 0.493515 0.387173 O\n0.006485 0.311427 0.893658 O\n0.112826 0.606341 0.917768 O\n0.195058 0.582232 0.188573 O\n0.195058 0.112826 0.006485 O\n0.582232 0.188573 0.195058 O\n0.606341 0.188573 0.493514 O\n0.695058 0.688573 0.082231 O\n0.917768 0.304942 0.311427 O\n0.811427 0.804942 0.417768 O\n0.106341 0.612826 0.417768 O\n0.688573 0.082232 0.695057 O\n0.082232 0.695058 0.688572 O\n0.993514 0.804942 0.887173 O\n0.811427 0.506485 0.393658 O\n0.417768 0.106341 0.612826 O\n0.393659 0.811427 0.506485 O\n0.887173 0.993514 0.804941 O\n0.612826 0.417768 0.106341 O\n0.106341 0.993514 0.688572 O\n0.393659 0.082232 0.887173 O\n0.082232 0.887173 0.393658 O\n0.506485 0.612826 0.695057 O\n0.612826 0.695058 0.506484 O\n0.688573 0.106341 0.993514 O\n0.506485 0.393659 0.811427 O\n0.311427 0.917768 0.304942 O\n0.417768 0.811427 0.804941 O\n0.804942 0.417768 0.811426 O\n0.006485 0.195058 0.112826 O\n0.188573 0.493515 0.606341 O\n0.582232 0.893659 0.387173 O\n0.112826 0.006485 0.195058 O\n0.493515 0.606341 0.188572 O\n0.387174 0.582232 0.893658 O\n0.893659 0.006485 0.311427 O\n0.804942 0.887173 0.993514 O\n0.606341 0.917768 0.112826 O\n0.493515 0.387174 0.304942 O\n0.387174 0.304942 0.493514 O\n0.311427 0.893659 0.006485 O\n0.304942 0.311427 0.917768 O\n0.695058 0.506485 0.612826 O\n0.993514 0.688573 0.106341 O\n0.887173 0.393659 0.082231 O\n0.917768 0.112826 0.606341 O\n0.893659 0.387174 0.582231 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
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"Cd",
"Si",
"O"
],
"chemical_system": "Al-Cd-O-Si",
"density": 5.21081397878823,
"density_atomic": 0.09403093148064348,
"volume": 850.7838722885374,
"volume_molar": 6.4044252940742945,
"formula_full": "Al8 Cd12 Si12 O48",
"formula_reduced": "Al2Cd3(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.1486006325,
"spacegroup": 230
},
{
"id": "jvasp-45367",
"created_at": "2022-09-04T14:37:06.713216Z",
"updated_at": "2022-09-04T14:37:06.713234Z",
"structure_string": "Al6 Cd4 S1 O12\n1.0\n7.281650 -0.000000 -2.574452\n-3.640825 6.306094 -2.574452\n-0.000000 -0.000000 7.723356\nAl Cd S O\n6 4 1 12\ndirect\n0.749999 0.500000 0.250000 Al\n0.249999 0.500000 0.750000 Al\n0.750000 0.250000 0.500000 Al\n0.249999 0.750000 0.500000 Al\n0.499999 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.330239 0.330239 0.330240 Cd\n0.669760 0.000000 0.000000 Cd\n0.999999 0.669760 0.000000 Cd\n0.000000 0.000000 0.669761 Cd\n0.000000 0.000000 0.000000 S\n0.272230 0.720389 0.272231 O\n-0.000001 0.727769 0.448159 O\n0.727769 0.448158 0.000000 O\n0.448158 0.727769 -0.000000 O\n0.551841 0.551841 0.279611 O\n0.448159 0.000000 0.727770 O\n-0.000000 0.448158 0.727769 O\n0.279610 0.551841 0.551842 O\n0.551841 0.279610 0.551842 O\n0.272231 0.272231 0.720390 O\n0.720389 0.272231 0.272231 O\n0.727769 0.000000 0.448159 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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],
"chemical_system": "Al-Cd-O-S",
"density": 3.9124299375687106,
"density_atomic": 0.06485321970200977,
"volume": 354.6470029657948,
"volume_molar": 9.285800747705016,
"formula_full": "Al6 Cd4 S1 O12",
"formula_reduced": "Al6Cd4SO12",
"formula_anonymous": "AB4C6D12",
"energy_above_hull": 1.7362386,
"spacegroup": 217
},
{
"id": "jvasp-13341",
"created_at": "2022-09-04T14:36:56.593402Z",
"updated_at": "2022-09-04T14:36:56.593421Z",
"structure_string": "Al4 Cd2 O8\n1.0\n5.976278 -0.000000 -0.000000\n2.988139 5.175608 0.000000\n2.988139 1.725202 4.879609\nAl Cd O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.395350 0.395350 0.395350 O\n0.395350 0.395350 0.813951 O\n0.395350 0.813951 0.395350 O\n0.813952 0.395350 0.395350 O\n0.436049 0.854650 0.854650 O\n0.854651 0.436048 0.854650 O\n0.854651 0.854650 0.436049 O\n0.854651 0.854650 0.854650 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Al-Cd-O",
"density": 5.069101492771324,
"density_atomic": 0.09275788659631778,
"volume": 150.93056249683636,
"volume_molar": 6.4923220881566115,
"formula_full": "Al4 Cd2 O8",
"formula_reduced": "Al2CdO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.429572764285714,
"spacegroup": 227
},
{
"id": "jvasp-116102",
"created_at": "2022-09-04T14:38:40.627832Z",
"updated_at": "2022-09-04T14:38:40.627857Z",
"structure_string": "Al1 Cd1 O2\n1.0\n2.777009 0.000000 0.000000\n0.000000 2.777009 0.000000\n0.000000 -0.000000 6.924585\nAl Cd O\n1 1 2\ndirect\n0.500000 0.500000 0.594390 Al\n0.000000 0.000000 0.036675 Cd\n0.000000 0.000000 0.535434 O\n0.500000 0.500000 0.843503 O\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Cd-O",
"density": 5.329538980737226,
"density_atomic": 0.07490514795243669,
"volume": 53.40086909033171,
"volume_molar": 8.039688759207767,
"formula_full": "Al1 Cd1 O2",
"formula_reduced": "AlCdO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7006623874999999,
"spacegroup": 99
},
{
"id": "jvasp-116101",
"created_at": "2022-09-04T14:38:40.424547Z",
"updated_at": "2022-09-04T14:38:40.424571Z",
"structure_string": "Al1 Cd1 O4\n1.0\n3.307792 -3.302137 0.000000\n3.307792 3.302137 0.000000\n0.000000 0.000000 3.151461\nAl Cd O\n1 1 4\ndirect\n0.499999 0.499999 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n0.665307 0.665307 0.000000 O\n0.780122 0.219877 0.500000 O\n0.219877 0.780122 0.500000 O\n0.334691 0.334691 0.000000 O\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Al-Cd-O",
"density": 4.905731526629688,
"density_atomic": 0.08715173507731638,
"volume": 68.8454451845063,
"volume_molar": 6.90994935976602,
"formula_full": "Al1 Cd1 O4",
"formula_reduced": "AlCdO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5357477583333332,
"spacegroup": 65
}
]
}