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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1508",
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"results": [
{
"id": "jvasp-56197",
"created_at": "2022-09-04T14:37:28.677623Z",
"updated_at": "2022-09-04T14:37:28.677650Z",
"structure_string": "Nd3 Ga1\n1.0\n4.834428 0.000000 0.000000\n0.000000 4.834428 0.000000\n-0.000000 -0.000000 4.834428\nNd Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n",
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"volume": 112.98877230251676,
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"formula_full": "Nd3 Ga1",
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{
"id": "jvasp-56809",
"created_at": "2022-09-04T14:37:45.550156Z",
"updated_at": "2022-09-04T14:37:45.550180Z",
"structure_string": "Nd1 Ga3\n1.0\n4.387412 0.000000 0.000000\n0.000000 4.387412 0.000000\n0.000000 0.000000 4.387412\nNd Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n",
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"volume": 84.45497860755474,
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"formula_full": "Nd1 Ga3",
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"spacegroup": 221
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{
"id": "jvasp-105434",
"created_at": "2022-09-04T14:36:52.323811Z",
"updated_at": "2022-09-04T14:36:52.323827Z",
"structure_string": "Nb1 Zn3 Ga3\n1.0\n4.782987 0.004548 2.986852\n1.658453 4.486259 2.986852\n0.006524 0.004548 5.638991\nNb Zn Ga\n1 3 3\ndirect\n0.000000 0.000000 0.000000 Nb\n-0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 -0.000000 Zn\n-0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 -0.000000 Ga\n-0.000001 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 7,
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"elements": [
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"Zn",
"Ga"
],
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"density": 6.848193268913629,
"density_atomic": 0.05793379650712091,
"volume": 120.827572540315,
"volume_molar": 10.394866421812683,
"formula_full": "Nb1 Zn3 Ga3",
"formula_reduced": "Nb(ZnGa)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-106967",
"created_at": "2022-09-04T14:38:45.957363Z",
"updated_at": "2022-09-04T14:38:45.957390Z",
"structure_string": "Nb1 Ga1 Tc2\n1.0\n3.835170 -0.000000 2.214236\n1.278390 3.615833 2.214236\n-0.000000 -0.000000 4.428473\nNb Ga Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500001 Ga\n0.750000 0.749999 0.750001 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"Tc"
],
"chemical_system": "Ga-Nb-Tc",
"density": 9.697236291482342,
"density_atomic": 0.06513478839962102,
"volume": 61.41111529308773,
"volume_molar": 9.245659513089075,
"formula_full": "Nb1 Ga1 Tc2",
"formula_reduced": "NbGaTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.93786368125,
"spacegroup": 225
},
{
"id": "jvasp-38799",
"created_at": "2022-09-04T14:38:00.959893Z",
"updated_at": "2022-09-04T14:38:00.959915Z",
"structure_string": "Nb1 Ga1 Ru2\n1.0\n0.000003 3.104494 3.104497\n3.104507 0.000004 3.104496\n3.104508 3.104494 0.000004\nNb Ga Ru\n1 1 2\ndirect\n0.750000 0.750003 0.749999 Nb\n0.250000 0.250002 0.250000 Ga\n0.499999 0.500002 0.499999 Ru\n0.000000 0.000000 0.000001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"Ru"
],
"chemical_system": "Ga-Nb-Ru",
"density": 10.121934752555333,
"density_atomic": 0.06684301830870672,
"volume": 59.841702263151326,
"volume_molar": 9.009378858667697,
"formula_full": "Nb1 Ga1 Ru2",
"formula_reduced": "NbGaRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3950606812499995,
"spacegroup": 225
},
{
"id": "jvasp-40784",
"created_at": "2022-09-04T14:37:50.922580Z",
"updated_at": "2022-09-04T14:37:50.922609Z",
"structure_string": "Nb1 Ga1 Pt1\n1.0\n3.766382 0.000000 2.174521\n1.255460 3.550979 2.174521\n0.000000 0.000000 4.349043\nNb Ga Pt\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Nb\n0.500000 0.500000 0.499999 Ga\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
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"elements": [
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"Ga",
"Pt"
],
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"density": 10.212171771520417,
"density_atomic": 0.05157688193937333,
"volume": 58.165594491082004,
"volume_molar": 11.676046580479213,
"formula_full": "Nb1 Ga1 Pt1",
"formula_reduced": "NbGaPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2341410416666667,
"spacegroup": 216
},
{
"id": "jvasp-119130",
"created_at": "2022-09-04T14:38:48.674502Z",
"updated_at": "2022-09-04T14:38:48.674518Z",
"structure_string": "Ti2 Nb2 Ga2 O12\n1.0\n4.674016 -0.000000 0.000000\n0.000000 4.674016 0.000000\n-0.000000 -0.000000 9.079525\nTi Nb Ga O\n2 2 2 12\ndirect\n0.500000 0.500000 0.499702 Ti\n0.000000 0.000000 0.999702 Ti\n0.500000 0.500000 0.833398 Nb\n0.000000 0.000000 0.333397 Nb\n0.500000 0.500000 0.167536 Ga\n0.000000 0.000000 0.667537 Ga\n0.700157 0.700157 0.000132 O\n0.304029 0.304029 0.664220 O\n0.306177 0.306177 0.335331 O\n0.299844 0.299844 0.000132 O\n0.806177 0.193823 0.835331 O\n0.193823 0.806177 0.835331 O\n0.804030 0.195971 0.164219 O\n0.693824 0.693824 0.335331 O\n0.200156 0.799845 0.500133 O\n0.195971 0.804030 0.164219 O\n0.799845 0.200156 0.500133 O\n0.695972 0.695972 0.664220 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Ga",
"O"
],
"chemical_system": "Ga-Nb-O-Ti",
"density": 5.131635764695828,
"density_atomic": 0.0907463125991264,
"volume": 198.35516710761956,
"volume_molar": 6.636237426641151,
"formula_full": "Ti2 Nb2 Ga2 O12",
"formula_reduced": "TiNbGaO6",
"formula_anonymous": "ABCD6",
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"spacegroup": 102
},
{
"id": "jvasp-106736",
"created_at": "2022-09-04T14:36:50.741737Z",
"updated_at": "2022-09-04T14:36:50.741755Z",
"structure_string": "Sr2 Nb1 Ga1 O6\n1.0\n4.880396 0.000000 2.817698\n1.626799 4.601281 2.817698\n0.000000 0.000000 5.635396\nSr Nb Ga O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.750001 Sr\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.500001 Ga\n0.748812 0.251189 0.251189 O\n0.251190 0.748811 0.748812 O\n0.251189 0.251189 0.748812 O\n0.748812 0.748811 0.251189 O\n0.251190 0.748811 0.251189 O\n0.748812 0.251189 0.748812 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Ga",
"O"
],
"chemical_system": "Ga-Nb-O-Sr",
"density": 5.693066238463224,
"density_atomic": 0.0790208581462157,
"volume": 126.54886614236165,
"volume_molar": 7.620950849277,
"formula_full": "Sr2 Nb1 Ga1 O6",
"formula_reduced": "Sr2NbGaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.9124185345,
"spacegroup": 225
},
{
"id": "jvasp-101594",
"created_at": "2022-09-04T14:36:42.853757Z",
"updated_at": "2022-09-04T14:36:42.853788Z",
"structure_string": "Nb1 Ga1 Os2\n1.0\n3.833941 0.000000 2.213527\n1.277980 3.614674 2.213527\n-0.000000 0.000000 4.427054\nNb Ga Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.499999 0.500001 Ga\n0.750000 0.749999 0.750001 Os\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
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"elements": [
"Nb",
"Ga",
"Os"
],
"chemical_system": "Ga-Nb-Os",
"density": 14.699109589987096,
"density_atomic": 0.06519745020840498,
"volume": 61.35209256211583,
"volume_molar": 9.236773433240263,
"formula_full": "Nb1 Ga1 Os2",
"formula_reduced": "NbGaOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.18559793125,
"spacegroup": 225
},
{
"id": "jvasp-105919",
"created_at": "2022-09-04T14:36:13.725709Z",
"updated_at": "2022-09-04T14:36:13.725735Z",
"structure_string": "Nb1 Ga1 Pb2 O6\n1.0\n4.914812 -0.000000 2.837568\n1.638271 4.633728 2.837568\n-0.000000 -0.000000 5.675135\nNb Ga Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500001 Ga\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750001 Pb\n0.748954 0.251046 0.251046 O\n0.251045 0.748955 0.748955 O\n0.251045 0.748955 0.251046 O\n0.748954 0.251046 0.748955 O\n0.251046 0.251046 0.748955 O\n0.748954 0.748955 0.251047 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"O"
],
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"density": 8.647033737647769,
"density_atomic": 0.07737245123445245,
"volume": 129.24496820836399,
"volume_molar": 7.78331391072493,
"formula_full": "Nb1 Ga1 Pb2 O6",
"formula_reduced": "NbGa(PbO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-10144",
"created_at": "2022-09-04T14:36:40.205857Z",
"updated_at": "2022-09-04T14:36:40.205884Z",
"structure_string": "Nb2 Ga2 O8\n1.0\n3.838277 0.000000 0.000000\n-1.919138 6.022192 -1.964160\n0.000000 0.012255 6.716261\nNb Ga O\n2 2 8\ndirect\n0.101612 0.207039 0.232201 Nb\n0.894573 0.792960 0.767798 Nb\n0.195126 0.394064 0.816105 Ga\n0.801063 0.605934 0.183894 Ga\n0.861319 0.726451 0.482671 O\n0.134867 0.273548 0.517329 O\n0.943219 0.890254 0.132943 O\n0.052964 0.109744 0.867057 O\n0.257000 0.517811 0.145377 O\n0.739189 0.482188 0.854623 O\n0.358992 0.721798 0.797348 O\n0.637194 0.278201 0.202651 O\n",
"nsites": 12,
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],
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"density": 4.845223846452857,
"density_atomic": 0.07725104935113526,
"volume": 155.33769574385272,
"volume_molar": 7.795545575862785,
"formula_full": "Nb2 Ga2 O8",
"formula_reduced": "NbGaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3143242875000007,
"spacegroup": 12
},
{
"id": "jvasp-15228",
"created_at": "2022-09-04T14:35:49.049713Z",
"updated_at": "2022-09-04T14:35:49.049733Z",
"structure_string": "Nb1 Ga1 Ni2\n1.0\n3.668575 -0.000000 2.118052\n1.222859 3.458766 2.118052\n0.000000 0.000000 4.236106\nNb Ga Ni\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Nb\n0.000000 0.000000 0.000000 Ga\n0.750001 0.750001 0.749999 Ni\n0.250000 0.250000 0.250000 Ni\n",
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"elements": [
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"volume": 53.75085814541692,
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"formula_full": "Nb1 Ga1 Ni2",
"formula_reduced": "NbGaNi2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}