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"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=320",
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"results": [
{
"id": "jvasp-34261",
"created_at": "2022-09-04T14:37:01.223033Z",
"updated_at": "2022-09-04T14:37:01.223051Z",
"structure_string": "Ba2 Cd1 Re1 O6\n1.0\n5.155694 -0.000013 2.976800\n1.718591 4.860969 2.976735\n0.000124 0.000007 5.953387\nBa Cd Re O\n2 1 1 6\ndirect\n0.749995 0.750004 0.749997 Ba\n0.250003 0.249997 0.250003 Ba\n0.000000 -0.000000 0.000000 Cd\n0.499999 0.500001 0.500000 Re\n0.269579 0.730421 0.269579 O\n0.730427 0.730412 0.269571 O\n0.269570 0.269590 0.730429 O\n0.730420 0.269580 0.730422 O\n0.269571 0.730417 0.730427 O\n0.730426 0.269586 0.269573 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ba-Cd-O-Re",
"density": 7.448697922628562,
"density_atomic": 0.06702409285167275,
"volume": 149.2000797702766,
"volume_molar": 8.985038817798342,
"formula_full": "Ba2 Cd1 Re1 O6",
"formula_reduced": "Ba2CdReO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-69256",
"created_at": "2022-09-04T14:36:03.108578Z",
"updated_at": "2022-09-04T14:36:03.108605Z",
"structure_string": "Ba2 Cd1 Sb1\n1.0\n0.000000 4.208159 4.208159\n4.208159 0.000000 4.208159\n4.208159 4.208159 -0.000000\nBa Cd Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Cd-Sb",
"density": 5.6690608798690665,
"density_atomic": 0.02683821165027582,
"volume": 149.04122719215874,
"volume_molar": 22.438681229857988,
"formula_full": "Ba2 Cd1 Sb1",
"formula_reduced": "Ba2CdSb",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-69243",
"created_at": "2022-09-04T14:35:45.094577Z",
"updated_at": "2022-09-04T14:35:45.094606Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n0.000000 4.224966 4.224966\n4.224966 0.000000 4.224966\n4.224966 4.224966 -0.000000\nBa Cd Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Cd",
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],
"chemical_system": "Ba-Cd-Sn",
"density": 5.568097168131772,
"density_atomic": 0.026519195233797494,
"volume": 150.83413975180454,
"volume_molar": 22.708610524971963,
"formula_full": "Ba2 Cd1 Sn1",
"formula_reduced": "Ba2CdSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0066325,
"spacegroup": 225
},
{
"id": "jvasp-105117",
"created_at": "2022-09-04T14:36:49.380069Z",
"updated_at": "2022-09-04T14:36:49.380089Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n5.177059 -0.000000 2.988977\n1.725686 4.880978 2.988977\n-0.000000 -0.000000 5.977953\nBa Cd Sn\n2 1 1\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sn"
],
"chemical_system": "Ba-Cd-Sn",
"density": 5.559861785460875,
"density_atomic": 0.026479972548869413,
"volume": 151.05755841014962,
"volume_molar": 22.74224699019607,
"formula_full": "Ba2 Cd1 Sn1",
"formula_reduced": "Ba2CdSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69114",
"created_at": "2022-09-04T14:36:14.291596Z",
"updated_at": "2022-09-04T14:36:14.291622Z",
"structure_string": "Ba2 Cd1 Te1\n1.0\n0.000000 4.211088 4.211088\n4.211088 0.000000 4.211088\n4.211088 4.211088 0.000000\nBa Cd Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Te"
],
"chemical_system": "Ba-Cd-Te",
"density": 5.722170387206138,
"density_atomic": 0.026782249064045627,
"volume": 149.35265482874928,
"volume_molar": 22.485567756460544,
"formula_full": "Ba2 Cd1 Te1",
"formula_reduced": "Ba2CdTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90623",
"created_at": "2022-09-04T14:36:11.053264Z",
"updated_at": "2022-09-04T14:36:11.053276Z",
"structure_string": "Ba2 Cd2 As2 F2\n1.0\n4.452586 0.000000 0.000000\n-0.000000 4.452586 -0.000000\n0.000000 0.000000 9.555973\nBa Cd As F\n2 2 2 2\ndirect\n0.750001 0.750001 0.844770 Ba\n0.250000 0.250000 0.155230 Ba\n0.250000 0.750001 0.500000 Cd\n0.750001 0.250000 0.500000 Cd\n0.750001 0.750001 0.320122 As\n0.250000 0.250000 0.679878 As\n0.250000 0.750001 0.000000 F\n0.750001 0.250000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Cd",
"As",
"F"
],
"chemical_system": "As-Ba-Cd-F",
"density": 6.024291922612438,
"density_atomic": 0.04222702059841384,
"volume": 189.45215377805985,
"volume_molar": 14.261344216708029,
"formula_full": "Ba2 Cd2 As2 F2",
"formula_reduced": "BaCdAsF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-16663",
"created_at": "2022-09-04T14:38:17.900335Z",
"updated_at": "2022-09-04T14:38:17.900358Z",
"structure_string": "Ba2 Cd2 Ge2\n1.0\n2.369888 -4.104766 -0.000000\n2.369888 4.104766 -0.000000\n-0.000000 0.000000 9.537622\nBa Cd Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666668 0.750000 Cd\n0.666668 0.333333 0.250000 Cd\n0.666668 0.333333 0.750000 Ge\n0.333333 0.666668 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ge"
],
"chemical_system": "Ba-Cd-Ge",
"density": 5.76976548730374,
"density_atomic": 0.032334408609217165,
"volume": 185.56083930632505,
"volume_molar": 18.624558230773836,
"formula_full": "Ba2 Cd2 Ge2",
"formula_reduced": "BaCdGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-91546",
"created_at": "2022-09-04T14:35:55.195662Z",
"updated_at": "2022-09-04T14:35:55.195678Z",
"structure_string": "Ba2 Cd2 P2 F2\n1.0\n4.372231 0.000000 -0.000000\n0.000000 4.372231 0.000000\n0.000000 -0.000000 9.507901\nBa Cd P F\n2 2 2 2\ndirect\n0.750000 0.750000 0.839971 Ba\n0.250000 0.250000 0.160029 Ba\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n0.750000 0.750000 0.327249 P\n0.250000 0.250000 0.672751 P\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cd",
"P",
"F"
],
"chemical_system": "Ba-Cd-F-P",
"density": 5.4763313403840455,
"density_atomic": 0.044014841030942935,
"volume": 181.75687592228059,
"volume_molar": 13.682068636272858,
"formula_full": "Ba2 Cd2 P2 F2",
"formula_reduced": "BaCdPF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-105550",
"created_at": "2022-09-04T14:36:59.799577Z",
"updated_at": "2022-09-04T14:36:59.799596Z",
"structure_string": "Ba2 Cd2 Pb2\n1.0\n5.201798 0.060658 4.251309\n2.431820 4.598764 4.251309\n-0.010001 -0.006105 8.549481\nBa Cd Pb\n2 2 2\ndirect\n0.544793 0.544793 0.204631 Ba\n0.455207 0.455208 0.795368 Ba\n0.156024 0.156024 0.398751 Cd\n0.843976 0.843976 0.601249 Cd\n0.834376 0.834375 0.231030 Pb\n0.165624 0.165625 0.768969 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Pb"
],
"chemical_system": "Ba-Cd-Pb",
"density": 7.456289926626416,
"density_atomic": 0.02948069158246752,
"volume": 203.5230409441366,
"volume_molar": 20.427406674480565,
"formula_full": "Ba2 Cd2 Pb2",
"formula_reduced": "BaCdPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-8699",
"created_at": "2022-09-04T14:36:43.257085Z",
"updated_at": "2022-09-04T14:36:43.257107Z",
"structure_string": "Ba2 Cd2 Sb4\n1.0\n4.533812 0.000000 -0.840517\n-0.155822 4.531134 -0.840517\n-0.001854 -0.001918 12.638125\nBa Cd Sb\n2 2 4\ndirect\n0.887078 0.887076 0.774154 Ba\n0.112923 0.112922 0.225846 Ba\n0.750000 0.250000 0.500000 Cd\n0.250001 0.749999 0.500000 Cd\n0.673250 0.673249 0.346499 Sb\n0.326751 0.326750 0.653500 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.000000 0.500000 -0.000000 Sb\n",
"nsites": 8,
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"elements": [
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"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 6.309931274198918,
"density_atomic": 0.03081494417305652,
"volume": 259.61429477438134,
"volume_molar": 19.542922830493215,
"formula_full": "Ba2 Cd2 Sb4",
"formula_reduced": "BaCdSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4619253666666668,
"spacegroup": 139
},
{
"id": "jvasp-111104",
"created_at": "2022-09-04T14:38:37.183028Z",
"updated_at": "2022-09-04T14:38:37.183053Z",
"structure_string": "Ba2 Cd2 Sn2\n1.0\n5.085322 -0.006417 4.222804\n2.371141 4.498692 4.222804\n-0.011677 -0.007035 8.462472\nBa Cd Sn\n2 2 2\ndirect\n0.545569 0.545568 0.705000 Ba\n0.454430 0.454430 0.295000 Ba\n0.158370 0.158369 0.276883 Cd\n0.841630 0.841628 0.723117 Cd\n0.838171 0.838170 0.103312 Sn\n0.161829 0.161828 0.896688 Sn\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.306470260095228,
"density_atomic": 0.03092304880322744,
"volume": 194.0300271871569,
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"formula_full": "Ba2 Cd2 Sn2",
"formula_reduced": "BaCdSn",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-16455",
"created_at": "2022-09-04T14:37:59.079917Z",
"updated_at": "2022-09-04T14:37:59.079932Z",
"structure_string": "Ba2 Cd4\n1.0\n4.833396 -0.000000 2.073511\n2.316898 6.040284 1.269390\n0.033339 0.058106 6.592414\nBa Cd\n2 4\ndirect\n0.544104 0.705897 0.205896 Ba\n0.455897 0.294103 0.794102 Ba\n0.835234 0.722399 0.607135 Cd\n0.164767 0.277601 0.392864 Cd\n0.835234 0.107136 0.222398 Cd\n0.164768 0.892864 0.777601 Cd\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ba-Cd",
"density": 6.265134206175055,
"density_atomic": 0.031254693578816085,
"volume": 191.97116698231528,
"volume_molar": 19.267956490482785,
"formula_full": "Ba2 Cd4",
"formula_reduced": "BaCd2",
"formula_anonymous": "AB2",
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}