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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=906",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=904",
"results": [
{
"id": "jvasp-114749",
"created_at": "2022-09-04T14:38:41.105162Z",
"updated_at": "2022-09-04T14:38:41.105179Z",
"structure_string": "Cd2 F1\n1.0\n3.053731 0.000000 0.173021\n0.000000 2.992262 0.000000\n-0.378252 0.000000 6.769420\nCd F\n2 1\ndirect\n-0.032500 0.000000 -0.145062 Cd\n-0.034112 0.000000 0.411699 Cd\n0.466613 0.000000 0.133362 F\n",
"nsites": 3,
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"elements": [
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"F"
],
"chemical_system": "Cd-F",
"density": 6.5247597380773055,
"density_atomic": 0.04834667779943335,
"volume": 62.051833477483775,
"volume_molar": 12.45616252058292,
"formula_full": "Cd2 F1",
"formula_reduced": "Cd2F",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-114744",
"created_at": "2022-09-04T14:38:42.498946Z",
"updated_at": "2022-09-04T14:38:42.498969Z",
"structure_string": "Cd2 F1\n1.0\n3.083993 0.000000 0.000000\n0.000000 2.931910 0.000000\n0.000000 0.000000 6.893811\nCd F\n2 1\ndirect\n-0.033257 0.000000 0.726185 Cd\n-0.033257 0.000000 0.273815 Cd\n0.466514 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "Cd-F",
"density": 6.495248204562742,
"density_atomic": 0.048128005440684365,
"volume": 62.333769549152976,
"volume_molar": 12.512757810880032,
"formula_full": "Cd2 F1",
"formula_reduced": "Cd2F",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-56528",
"created_at": "2022-09-04T14:37:33.975890Z",
"updated_at": "2022-09-04T14:37:33.975922Z",
"structure_string": "Cd2 Fe1 C6 N6\n1.0\n3.161556 -5.475975 0.000000\n3.161556 5.475975 -0.000000\n-0.000000 0.000000 6.377010\nCd Fe C N\n2 1 6 6\ndirect\n0.333334 0.666668 0.500144 Cd\n0.666668 0.333334 0.499856 Cd\n0.000000 0.000000 0.000000 Fe\n0.236467 -0.000078 0.175674 C\n0.763457 0.763535 0.175674 C\n0.763534 0.000078 0.824326 C\n0.000078 0.236544 0.175674 C\n0.236544 0.236467 0.824326 C\n-0.000078 0.763457 0.824326 C\n0.377960 0.999913 0.296760 N\n0.621954 0.622041 0.296760 N\n0.000088 0.378048 0.296760 N\n0.999914 0.621954 0.703240 N\n0.378048 0.377960 0.703240 N\n0.622041 0.000088 0.703240 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Fe",
"C",
"N"
],
"chemical_system": "C-Cd-Fe-N",
"density": 3.2846860123371737,
"density_atomic": 0.06793316203464807,
"volume": 220.80526727652577,
"volume_molar": 8.864802667257734,
"formula_full": "Cd2 Fe1 C6 N6",
"formula_reduced": "Cd2Fe(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.538644966666666,
"spacegroup": 162
},
{
"id": "jvasp-9784",
"created_at": "2022-09-04T14:37:12.190794Z",
"updated_at": "2022-09-04T14:37:12.190811Z",
"structure_string": "Cd4 Ga2 Ag2 S8\n1.0\n6.679733 0.000000 0.000000\n0.000000 6.961780 0.000000\n0.000000 0.000000 8.189083\nCd Ga Ag S\n4 2 2 8\ndirect\n0.486435 0.175441 0.252610 Cd\n0.986434 0.824559 0.752609 Cd\n0.486435 0.175441 0.747390 Cd\n0.986434 0.824559 0.247390 Cd\n0.491122 0.676937 0.500000 Ga\n0.991122 0.323063 0.000000 Ga\n0.989857 0.341004 0.500000 Ag\n0.489858 0.658996 0.000000 Ag\n0.107936 0.634532 0.000000 S\n0.607936 0.365468 0.500000 S\n0.146462 0.677704 0.500000 S\n0.646461 0.322296 0.000000 S\n0.603756 0.824708 0.265588 S\n0.103757 0.175292 0.765588 S\n0.103757 0.175292 0.234411 S\n0.603756 0.824708 0.734411 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Ag",
"S"
],
"chemical_system": "Ag-Cd-Ga-S",
"density": 4.627981107456439,
"density_atomic": 0.04201509128157181,
"volume": 380.815547746239,
"volume_molar": 14.333280200777203,
"formula_full": "Cd4 Ga2 Ag2 S8",
"formula_reduced": "Cd2GaAgS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.3707161356249999,
"spacegroup": 31
},
{
"id": "jvasp-108799",
"created_at": "2022-09-04T14:38:27.927055Z",
"updated_at": "2022-09-04T14:38:27.927074Z",
"structure_string": "Cd2 Ga1 Ag1 Se4\n1.0\n4.223239 -0.000000 0.000000\n0.000000 7.053313 0.054916\n-0.000000 0.013289 7.504859\nCd Ga Ag Se\n2 1 1 4\ndirect\n0.500000 0.004341 0.170599 Cd\n0.500000 0.461450 0.819639 Cd\n-0.000000 0.480056 0.337774 Ga\n-0.000000 0.979797 0.671047 Ag\n0.500000 0.605445 0.175980 Se\n0.500000 0.093894 0.837085 Se\n-0.000000 0.134863 0.348384 Se\n-0.000000 0.608953 0.639494 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Ag",
"Se"
],
"chemical_system": "Ag-Cd-Ga-Se",
"density": 5.335207329792897,
"density_atomic": 0.03578612058800411,
"volume": 223.55035607524573,
"volume_molar": 16.828146390415636,
"formula_full": "Cd2 Ga1 Ag1 Se4",
"formula_reduced": "Cd2GaAgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0968615689583332,
"spacegroup": 6
},
{
"id": "jvasp-110606",
"created_at": "2022-09-04T14:38:39.784982Z",
"updated_at": "2022-09-04T14:38:39.785004Z",
"structure_string": "Cd2 Ga1 Cu1 S4\n1.0\n6.876518 0.015200 3.336390\n5.733630 3.796342 3.336390\n-0.026059 -0.007877 6.842833\nCd Ga Cu S\n2 1 1 4\ndirect\n0.002170 0.002170 0.349509 Cd\n0.507353 0.507351 0.815615 Cd\n0.251069 0.251068 0.398412 Ga\n0.746148 0.746146 0.930927 Cu\n0.921822 0.921819 0.753305 S\n0.426156 0.426155 0.236659 S\n0.193486 0.193485 0.135789 S\n0.702017 0.702015 0.629781 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"S"
],
"chemical_system": "Cd-Cu-Ga-S",
"density": 4.526963983825968,
"density_atomic": 0.04484335689322569,
"volume": 178.3987764129346,
"volume_molar": 13.429281787130753,
"formula_full": "Cd2 Ga1 Cu1 S4",
"formula_reduced": "Cd2GaCuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.3507265343749999,
"spacegroup": 8
},
{
"id": "jvasp-111382",
"created_at": "2022-09-04T14:38:26.233628Z",
"updated_at": "2022-09-04T14:38:26.233655Z",
"structure_string": "Cd2 Ga1 Cu1 Se4\n1.0\n5.402749 0.034182 -4.879659\n-1.044140 5.301004 -4.879659\n-0.027925 -0.034182 7.280109\nCd Ga Cu Se\n2 1 1 4\ndirect\n0.750001 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.640107 0.640106 0.501657 Se\n0.359894 0.861549 -0.000001 Se\n0.138451 0.138450 0.498344 Se\n0.861550 0.359893 -0.000001 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-Ga-Se",
"density": 5.40703268425909,
"density_atomic": 0.038653110695049286,
"volume": 206.96911208816746,
"volume_molar": 15.579964074589526,
"formula_full": "Cd2 Ga1 Cu1 Se4",
"formula_reduced": "Cd2GaCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0650857177083332,
"spacegroup": 121
},
{
"id": "jvasp-107573",
"created_at": "2022-09-04T14:36:55.985908Z",
"updated_at": "2022-09-04T14:36:55.985938Z",
"structure_string": "Cd2 Ga1 Cu1 Te4\n1.0\n5.786796 0.039439 -5.236262\n-1.113631 5.678767 -5.236262\n-0.032231 -0.039439 7.804128\nCd Ga Cu Te\n2 1 1 4\ndirect\n0.750001 0.250000 0.500001 Cd\n0.250000 0.750000 0.500001 Cd\n0.500000 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Cu\n0.642018 0.642018 0.509681 Te\n0.357983 0.867664 0.000001 Te\n0.132337 0.132337 0.490320 Te\n0.867664 0.357983 0.000001 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"Te"
],
"chemical_system": "Cd-Cu-Ga-Te",
"density": 5.6683415586154595,
"density_atomic": 0.031443550483343276,
"volume": 254.42419437454666,
"volume_molar": 19.152228890914003,
"formula_full": "Cd2 Ga1 Cu1 Te4",
"formula_reduced": "Cd2GaCuTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0,
"spacegroup": 121
},
{
"id": "jvasp-19080",
"created_at": "2022-09-04T14:36:49.730885Z",
"updated_at": "2022-09-04T14:36:49.730905Z",
"structure_string": "Cd8 Ge4 O16\n1.0\n5.283340 0.000000 0.000000\n-0.000000 6.663155 0.000000\n0.000000 0.000000 11.280954\nCd Ge O\n8 4 16\ndirect\n0.487473 0.749999 0.781020 Cd\n0.987473 0.250000 0.718979 Cd\n0.512527 0.250000 0.218979 Cd\n0.012527 0.749999 0.281021 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.565885 0.749999 0.099059 Ge\n0.065885 0.250000 0.400941 Ge\n0.434115 0.250000 0.900941 Ge\n0.934115 0.749999 0.599059 Ge\n0.731352 0.250000 0.403252 O\n0.231352 0.749999 0.096748 O\n0.711149 0.749999 0.952718 O\n0.211149 0.250000 0.547282 O\n0.288851 0.250000 0.047282 O\n0.788851 0.749999 0.452718 O\n0.721746 0.961737 0.165766 O\n0.721746 0.538262 0.165766 O\n0.278254 0.461738 0.834233 O\n0.778254 0.538262 0.665766 O\n0.278254 0.038262 0.834233 O\n0.778254 0.961737 0.665766 O\n0.768648 0.250000 0.903252 O\n0.221746 0.461738 0.334233 O\n0.221746 0.038262 0.334233 O\n0.268648 0.749999 0.596747 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cd",
"Ge",
"O"
],
"chemical_system": "Cd-Ge-O",
"density": 6.045532333168421,
"density_atomic": 0.07050561856549685,
"volume": 397.1314707917801,
"volume_molar": 8.541362919049744,
"formula_full": "Cd8 Ge4 O16",
"formula_reduced": "Cd2GeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8707013499999994,
"spacegroup": 62
},
{
"id": "jvasp-51394",
"created_at": "2022-09-04T14:37:00.743700Z",
"updated_at": "2022-09-04T14:37:00.743728Z",
"structure_string": "Cd4 H4 S2 O12\n1.0\n5.248047 3.871034 -2.627127\n-5.248047 3.871034 2.627127\n-0.043797 0.000000 6.529960\nCd H S O\n4 4 2 12\ndirect\n0.852173 0.342791 0.815193 Cd\n0.342790 0.852174 0.684807 Cd\n0.147826 0.657209 0.184807 Cd\n0.657209 0.147826 0.315193 Cd\n0.767456 0.941654 0.815754 H\n0.941653 0.767456 0.684245 H\n0.232543 0.058346 0.184245 H\n0.058345 0.232543 0.315755 H\n0.317417 0.317417 0.750000 S\n0.682582 0.682582 0.250000 S\n0.043211 0.686798 0.795945 O\n0.686798 0.043211 0.704055 O\n0.751586 0.830482 0.394024 O\n0.830482 0.751586 0.105976 O\n0.248413 0.169517 0.605976 O\n0.319321 0.538164 0.595871 O\n0.461835 0.680678 0.095871 O\n0.680678 0.461835 0.404128 O\n0.538164 0.319321 0.904128 O\n0.313201 0.956788 0.295945 O\n0.169517 0.248413 0.894024 O\n0.956788 0.313201 0.204055 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"H",
"S",
"O"
],
"chemical_system": "Cd-H-O-S",
"density": 4.45737932358562,
"density_atomic": 0.0831989918048997,
"volume": 264.42628116924357,
"volume_molar": 7.238237662929646,
"formula_full": "Cd4 H4 S2 O12",
"formula_reduced": "Cd2H2SO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.8284154999999995,
"spacegroup": 15
},
{
"id": "jvasp-16473",
"created_at": "2022-09-04T14:38:17.414125Z",
"updated_at": "2022-09-04T14:38:17.414146Z",
"structure_string": "Cd2 Hg1\n1.0\n3.721290 0.000000 -1.535722\n-0.633771 3.666925 -1.535722\n-0.019864 -0.023592 5.228356\nCd Hg\n2 1\ndirect\n0.333886 0.333886 0.667772 Cd\n0.666116 0.666116 0.332231 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
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"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 9.93899971774104,
"density_atomic": 0.04220900350802593,
"volume": 71.07488333453686,
"volume_molar": 14.267431731371975,
"formula_full": "Cd2 Hg1",
"formula_reduced": "Cd2Hg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2081083333333333,
"spacegroup": 139
},
{
"id": "jvasp-118002",
"created_at": "2022-09-04T14:38:30.423404Z",
"updated_at": "2022-09-04T14:38:30.423436Z",
"structure_string": "Cd2 In1\n1.0\n5.246792 0.000000 -1.340586\n0.000000 3.099044 0.000000\n-1.456028 0.000000 5.215923\nCd In\n2 1\ndirect\n-0.199994 0.000000 -0.200042 Cd\n0.133338 0.000000 0.466704 Cd\n0.466656 0.000000 0.133337 In\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"In"
],
"chemical_system": "Cd-In",
"density": 7.160629936768916,
"density_atomic": 0.03808943713142839,
"volume": 78.76199350619012,
"volume_molar": 15.810527047749428,
"formula_full": "Cd2 In1",
"formula_reduced": "Cd2In",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1669645833333333,
"spacegroup": 191
}
]
}