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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4325",
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"results": [
{
"id": "jvasp-21609",
"created_at": "2022-09-04T14:38:30.391697Z",
"updated_at": "2022-09-04T14:38:30.391737Z",
"structure_string": "Ba2 Ce4 Mn2 S10\n1.0\n7.002324 -0.000000 -3.481688\n-1.731161 6.784956 -3.481688\n-0.015387 -0.019806 8.751387\nBa Ce Mn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.749999 0.750000 0.500000 Ba\n0.342132 0.157868 -0.000000 Ce\n0.157868 0.657869 0.000000 Ce\n0.657868 0.842132 -0.000000 Ce\n0.842131 0.342131 1.000000 Ce\n0.250000 0.750000 0.500000 Mn\n0.749999 0.250000 0.500000 Mn\n0.500000 0.500000 -0.000000 S\n0.481936 0.981936 0.268141 S\n0.981935 0.786206 0.268141 S\n0.286205 0.481936 0.268141 S\n0.018064 0.213794 0.731859 S\n0.713794 0.518064 0.731858 S\n0.518064 0.018064 0.731858 S\n0.213794 0.713794 0.731859 S\n0.786205 0.286206 0.268141 S\n0.000000 0.000000 0.000000 S\n",
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"elements": [
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"density": 5.066458296569042,
"density_atomic": 0.04339266108284402,
"volume": 414.8166890625794,
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"formula_full": "Ba2 Ce4 Mn2 S10",
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"spacegroup": 140
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{
"id": "jvasp-9691",
"created_at": "2022-09-04T14:36:50.164810Z",
"updated_at": "2022-09-04T14:36:50.164820Z",
"structure_string": "Ba2 Ce2 O6\n1.0\n5.421020 -0.023676 3.068621\n1.778102 5.121170 3.068621\n-0.033437 -0.023676 6.229188\nBa Ce O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.749999 0.750001 Ba\n0.000000 0.000000 0.000000 Ce\n0.500000 0.499999 0.500001 Ce\n0.249999 0.818679 0.681321 O\n0.818680 0.681319 0.250000 O\n0.681320 0.249999 0.818681 O\n0.750000 0.181319 0.318680 O\n0.318680 0.750000 0.181320 O\n0.181320 0.318679 0.750001 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ce",
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],
"chemical_system": "Ba-Ce-O",
"density": 6.211966398178868,
"density_atomic": 0.05747480045420068,
"volume": 173.98929480353033,
"volume_molar": 10.477880240399962,
"formula_full": "Ba2 Ce2 O6",
"formula_reduced": "BaCeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.271964394,
"spacegroup": 167
},
{
"id": "jvasp-9397",
"created_at": "2022-09-04T14:37:05.813675Z",
"updated_at": "2022-09-04T14:37:05.813698Z",
"structure_string": "Ba2 Ce2 O6\n1.0\n5.407641 0.000000 3.122013\n1.824958 5.129690 3.083286\n-0.007355 -0.017387 6.257034\nBa Ce O\n2 2 6\ndirect\n0.750001 0.259133 0.740865 Ba\n0.250001 0.740866 0.259134 Ba\n0.000000 0.500000 0.000000 Ce\n0.500000 -0.000000 0.499999 Ce\n0.204114 0.295886 0.295886 O\n0.295887 0.704114 0.704113 O\n0.795887 0.704114 0.704113 O\n0.704114 0.295886 0.295886 O\n0.250001 0.168261 0.831737 O\n0.750000 0.831738 0.168262 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ce",
"O"
],
"chemical_system": "Ba-Ce-O",
"density": 6.216022679906832,
"density_atomic": 0.05751233027454372,
"volume": 173.87575763777093,
"volume_molar": 10.471042872463016,
"formula_full": "Ba2 Ce2 O6",
"formula_reduced": "BaCeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.271628394,
"spacegroup": 74
},
{
"id": "jvasp-2388",
"created_at": "2022-09-04T14:36:56.879758Z",
"updated_at": "2022-09-04T14:36:56.879777Z",
"structure_string": "Ba2 Ce2 N4\n1.0\n1.839919 -3.186831 0.000000\n1.839919 3.186831 0.000000\n0.000000 0.000000 12.689521\nBa Ce N\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.333333 0.666667 0.596359 N\n0.666667 0.333333 0.096360 N\n0.333333 0.666667 0.903640 N\n0.666667 0.333333 0.403640 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ce",
"N"
],
"chemical_system": "Ba-Ce-N",
"density": 6.817032435248804,
"density_atomic": 0.053759723357888034,
"volume": 148.81028956831824,
"volume_molar": 11.20195637895965,
"formula_full": "Ba2 Ce2 N4",
"formula_reduced": "BaCeN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7430744925,
"spacegroup": 194
},
{
"id": "jvasp-56196",
"created_at": "2022-09-04T14:37:28.275431Z",
"updated_at": "2022-09-04T14:37:28.275451Z",
"structure_string": "Ba2 Ce2 I8\n1.0\n7.360164 -0.027913 0.006145\n-1.859164 8.764542 -0.006050\n-2.755773 -4.362868 7.528245\nBa Ce I\n2 2 8\ndirect\n0.384666 0.634691 0.269487 Ba\n0.615335 0.365310 0.730514 Ba\n0.748604 0.998607 0.997204 Ce\n0.251397 0.001393 0.002797 Ce\n0.354410 0.639319 0.869803 I\n0.645591 0.360681 0.130199 I\n0.984535 0.769463 0.130182 I\n0.648374 0.058639 0.349338 I\n0.799120 0.709419 0.650613 I\n0.200881 0.290581 0.349388 I\n0.351627 0.941361 0.650663 I\n0.015466 0.230538 0.869820 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ce",
"I"
],
"chemical_system": "Ba-Ce-I",
"density": 5.373018404726419,
"density_atomic": 0.024729602996278497,
"volume": 485.2483884114862,
"volume_molar": 24.35195082147602,
"formula_full": "Ba2 Ce2 I8",
"formula_reduced": "BaCeI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-105552",
"created_at": "2022-09-04T14:37:00.367480Z",
"updated_at": "2022-09-04T14:37:00.367503Z",
"structure_string": "Ba2 Ce1 Zr1 O6\n1.0\n4.332871 0.000000 0.000000\n0.000000 4.332871 0.000000\n-0.000000 -0.000000 8.746732\nBa Ce Zr O\n2 1 1 6\ndirect\n0.500000 0.500000 0.262008 Ba\n0.500000 0.500000 0.737992 Ba\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.262881 O\n0.000000 0.000000 0.737119 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ce",
"Zr",
"O"
],
"chemical_system": "Ba-Ce-O-Zr",
"density": 6.08753294574546,
"density_atomic": 0.0608979483611126,
"volume": 164.2091444641453,
"volume_molar": 9.888905820422579,
"formula_full": "Ba2 Ce1 Zr1 O6",
"formula_reduced": "Ba2CeZrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.104834294,
"spacegroup": 123
},
{
"id": "jvasp-12397",
"created_at": "2022-09-04T14:38:13.607774Z",
"updated_at": "2022-09-04T14:38:13.607801Z",
"structure_string": "Ba2 Ce1 Pt1 O6\n1.0\n5.196570 0.000000 3.000241\n1.732190 4.899374 3.000241\n-0.000000 -0.000000 6.000483\nBa Ce Pt O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.749999 0.750000 Ba\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Pt\n0.239101 0.760899 0.760899 O\n0.239101 0.760899 0.239100 O\n0.760899 0.239100 0.760899 O\n0.239101 0.239100 0.760899 O\n0.760899 0.239100 0.239100 O\n0.760900 0.760899 0.239100 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ce",
"Pt",
"O"
],
"chemical_system": "Ba-Ce-O-Pt",
"density": 7.672169304551301,
"density_atomic": 0.06545704798428388,
"volume": 152.7719368340745,
"volume_molar": 9.200141077926254,
"formula_full": "Ba2 Ce1 Pt1 O6",
"formula_reduced": "Ba2CePtO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.987186984,
"spacegroup": 225
},
{
"id": "jvasp-99418",
"created_at": "2022-09-04T14:36:39.171499Z",
"updated_at": "2022-09-04T14:36:39.171517Z",
"structure_string": "Ba2 Cd6\n1.0\n7.459906 -0.085995 0.000000\n-3.647627 6.507873 0.000000\n-0.000000 -0.000000 5.143227\nBa Cd\n2 6\ndirect\n0.333479 0.666521 0.250000 Ba\n0.666521 0.333480 0.750000 Ba\n0.142023 0.284322 0.750000 Cd\n0.715679 0.857978 0.750000 Cd\n0.142177 0.857822 0.750000 Cd\n0.857978 0.715679 0.250000 Cd\n0.284322 0.142023 0.250000 Cd\n0.857823 0.142178 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd",
"density": 6.35297667278744,
"density_atomic": 0.03224757230423445,
"volume": 248.08069037027988,
"volume_molar": 18.674710465597528,
"formula_full": "Ba2 Cd6",
"formula_reduced": "BaCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"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,
"nelements": 2,
"elements": [
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"Cd"
],
"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",
"energy_above_hull": 0.0779453333333333,
"spacegroup": 74
},
{
"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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],
"chemical_system": "Ba-Cd-Sn",
"density": 6.306470260095228,
"density_atomic": 0.03092304880322744,
"volume": 194.0300271871569,
"volume_molar": 19.47460225646143,
"formula_full": "Ba2 Cd2 Sn2",
"formula_reduced": "BaCdSn",
"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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"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-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,
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"elements": [
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],
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"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
}
]
}