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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4511",
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"results": [
{
"id": "jvasp-117551",
"created_at": "2022-09-04T14:38:51.325652Z",
"updated_at": "2022-09-04T14:38:51.325671Z",
"structure_string": "Ba1 C1\n1.0\n4.133360 -0.388587 0.805700\n-2.204689 -3.350064 -1.336892\n0.543356 -3.880984 -4.523502\nBa C\n1 1\ndirect\n0.980625 0.349589 0.154191 Ba\n0.980618 0.349586 0.654178 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "Ba-C",
"density": 4.617093942241205,
"density_atomic": 0.037237468679280024,
"volume": 53.70934359759143,
"volume_molar": 16.17226136359502,
"formula_full": "Ba1 C1",
"formula_reduced": "BaC",
"formula_anonymous": "AB",
"energy_above_hull": 2.510902985,
"spacegroup": 225
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{
"id": "jvasp-36871",
"created_at": "2022-09-04T14:38:03.301263Z",
"updated_at": "2022-09-04T14:38:03.301289Z",
"structure_string": "Ba1 C1\n1.0\n-2.996266 -2.996266 0.000000\n-2.996266 0.000000 -2.996266\n-0.000000 -2.996266 -2.996266\nBa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 C\n",
"nsites": 2,
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"elements": [
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"density": 4.609432521380627,
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"volume": 53.798614865483486,
"volume_molar": 16.1991415706485,
"formula_full": "Ba1 C1",
"formula_reduced": "BaC",
"formula_anonymous": "AB",
"energy_above_hull": 2.5252629850000003,
"spacegroup": 225
},
{
"id": "jvasp-117549",
"created_at": "2022-09-04T14:38:53.130355Z",
"updated_at": "2022-09-04T14:38:53.130386Z",
"structure_string": "Ba1 C2\n1.0\n4.411148 0.000000 0.000000\n0.000000 4.457786 0.000000\n0.000000 0.000000 4.565016\nBa C\n1 2\ndirect\n0.466644 0.000000 0.000000 Ba\n-0.033322 0.000000 0.637830 C\n-0.033322 0.000000 0.362171 C\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ba-C",
"density": 2.984699490123842,
"density_atomic": 0.03342012773979327,
"volume": 89.76626371262809,
"volume_molar": 18.01950251922422,
"formula_full": "Ba1 C2",
"formula_reduced": "BaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.6908286566666666,
"spacegroup": 47
},
{
"id": "jvasp-117542",
"created_at": "2022-09-04T14:38:48.816896Z",
"updated_at": "2022-09-04T14:38:48.816913Z",
"structure_string": "Ba2 C2\n1.0\n8.236819 0.986236 -0.128833\n7.087871 -3.460185 -0.059178\n0.932407 2.366882 -3.774484\nBa C\n2 2\ndirect\n0.034272 0.034074 0.592098 Ba\n0.089753 0.527099 0.953543 Ba\n0.474737 0.322501 0.215392 C\n0.649296 0.238656 0.330250 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 3.7435797668556527,
"density_atomic": 0.0301924621982039,
"volume": 132.48339846353946,
"volume_molar": 19.94584184776506,
"formula_full": "Ba2 C2",
"formula_reduced": "BaC",
"formula_anonymous": "AB",
"energy_above_hull": 1.898487985,
"spacegroup": 2
},
{
"id": "jvasp-117545",
"created_at": "2022-09-04T14:38:51.690314Z",
"updated_at": "2022-09-04T14:38:51.690336Z",
"structure_string": "Ba1 C1\n1.0\n4.637983 0.000000 0.000000\n-0.000000 4.637983 -0.000000\n0.000000 0.000000 4.770406\nBa C\n1 1\ndirect\n0.000000 0.000000 0.749995 Ba\n0.000000 0.000000 0.250006 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 2.4166007633030504,
"density_atomic": 0.01949020235662349,
"volume": 102.61566111037972,
"volume_molar": 30.898297769358226,
"formula_full": "Ba1 C1",
"formula_reduced": "BaC",
"formula_anonymous": "AB",
"energy_above_hull": 3.139462985,
"spacegroup": 123
},
{
"id": "jvasp-35776",
"created_at": "2022-09-04T14:37:18.868150Z",
"updated_at": "2022-09-04T14:37:18.868175Z",
"structure_string": "Ba1 C2\n1.0\n2.607734 1.505576 2.473178\n-2.607734 1.505576 2.473178\n-0.000000 -3.011151 2.473178\nBa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.585007 0.585007 0.585005 C\n0.414995 0.414995 0.414994 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 4.598765442098721,
"density_atomic": 0.05149306622956174,
"volume": 58.26027113292634,
"volume_molar": 11.695051782608237,
"formula_full": "Ba1 C2",
"formula_reduced": "BaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.487105323333333,
"spacegroup": 166
},
{
"id": "jvasp-12764",
"created_at": "2022-09-04T14:38:11.194538Z",
"updated_at": "2022-09-04T14:38:11.194552Z",
"structure_string": "Ba4 Br8\n1.0\n4.959687 -0.000000 0.000000\n0.000000 8.274817 0.000000\n0.000000 0.000000 9.990619\nBa Br\n4 8\ndirect\n0.250000 0.748109 0.619302 Ba\n0.750000 0.251892 0.380698 Ba\n0.250000 0.248108 0.880698 Ba\n0.750000 0.751892 0.119302 Ba\n0.250000 0.529210 0.329412 Br\n0.750000 0.470790 0.670588 Br\n0.250000 0.029210 0.170588 Br\n0.750000 0.970791 0.829412 Br\n0.750000 0.856260 0.430457 Br\n0.250000 0.143740 0.569543 Br\n0.750000 0.356260 0.069543 Br\n0.250000 0.643740 0.930457 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Br"
],
"chemical_system": "Ba-Br",
"density": 4.813465187015887,
"density_atomic": 0.029266863455587676,
"volume": 410.0200220706924,
"volume_molar": 20.576652394400135,
"formula_full": "Ba4 Br8",
"formula_reduced": "BaBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-105720",
"created_at": "2022-09-04T14:36:02.186765Z",
"updated_at": "2022-09-04T14:36:02.186793Z",
"structure_string": "Ba2 Br6\n1.0\n6.860426 0.000000 0.000000\n-3.430213 5.941303 -0.000000\n-0.000000 -0.000000 6.059049\nBa Br\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.171670 0.343338 0.250000 Br\n0.656663 0.828330 0.250000 Br\n0.171670 0.828330 0.250000 Br\n0.828331 0.656662 0.750000 Br\n0.343338 0.171669 0.750000 Br\n0.828331 0.171669 0.750000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Br"
],
"chemical_system": "Ba-Br",
"density": 5.0702353361121455,
"density_atomic": 0.03239311677672075,
"volume": 246.96604698900677,
"volume_molar": 18.590803723857164,
"formula_full": "Ba2 Br6",
"formula_reduced": "BaBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1607510262499999,
"spacegroup": 194
},
{
"id": "jvasp-120848",
"created_at": "2022-09-04T14:38:53.327301Z",
"updated_at": "2022-09-04T14:38:53.327326Z",
"structure_string": "Ba3 Br1\n1.0\n7.931503 0.737326 -1.666788\n3.013599 -5.744073 -1.450276\n-2.037903 -0.082759 -3.899791\nBa Br\n3 1\ndirect\n0.207964 -0.016523 0.793857 Ba\n0.476643 0.349252 0.427178 Ba\n0.842336 0.665747 0.110775 Ba\n0.842290 0.165701 0.110493 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Br"
],
"chemical_system": "Ba-Br",
"density": 3.9365369680832067,
"density_atomic": 0.019277985494116,
"volume": 207.49055969675229,
"volume_molar": 31.238433921625628,
"formula_full": "Ba3 Br1",
"formula_reduced": "Ba3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-30934",
"created_at": "2022-09-04T14:38:28.790075Z",
"updated_at": "2022-09-04T14:38:28.790099Z",
"structure_string": "Ba8 Bi6\n1.0\n8.700253 0.000000 -3.076004\n-4.350127 7.534640 -3.076004\n-0.000000 -0.000000 9.228012\nBa Bi\n8 6\ndirect\n0.645417 0.645417 0.645418 Ba\n0.354582 0.500000 0.000000 Ba\n0.500000 -0.000000 0.354583 Ba\n-0.000000 0.354583 0.500000 Ba\n0.500000 -0.000000 0.854583 Ba\n-0.000000 0.854583 0.500000 Ba\n0.145417 0.145417 0.145417 Ba\n0.854582 0.500000 0.000000 Ba\n0.749999 0.875000 0.125000 Bi\n0.625000 0.375000 0.250000 Bi\n0.875000 0.125000 0.750000 Bi\n0.125000 0.750000 0.875000 Bi\n0.375000 0.250000 0.625000 Bi\n0.250000 0.625000 0.375000 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ba",
"Bi"
],
"chemical_system": "Ba-Bi",
"density": 6.457670697337103,
"density_atomic": 0.023143311259358493,
"volume": 604.926401546745,
"volume_molar": 26.02108528253414,
"formula_full": "Ba8 Bi6",
"formula_reduced": "Ba4Bi3",
"formula_anonymous": "A3B4",
"energy_above_hull": 0.2762720428571428,
"spacegroup": 220
},
{
"id": "jvasp-18345",
"created_at": "2022-09-04T14:38:12.446031Z",
"updated_at": "2022-09-04T14:38:12.446055Z",
"structure_string": "Ba1 Bi3\n1.0\n5.168373 -0.000000 -0.000000\n0.000000 5.168373 0.000000\n0.000000 0.000000 5.168373\nBa Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Bi"
],
"chemical_system": "Ba-Bi",
"density": 9.192493681662498,
"density_atomic": 0.02897333208709346,
"volume": 138.0579902917639,
"volume_molar": 20.785116264492892,
"formula_full": "Ba1 Bi3",
"formula_reduced": "BaBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5450739375,
"spacegroup": 221
},
{
"id": "jvasp-56928",
"created_at": "2022-09-04T14:37:18.464561Z",
"updated_at": "2022-09-04T14:37:18.464587Z",
"structure_string": "Ba4 Bi2\n1.0\n5.102975 0.000000 -1.382491\n-0.374543 5.089212 -1.382491\n0.062322 0.067077 10.339203\nBa Bi\n4 2\ndirect\n0.500000 -0.000000 0.000000 Ba\n0.679732 0.679731 0.359461 Ba\n0.320269 0.320269 0.640538 Ba\n0.000000 0.500000 0.000000 Ba\n0.865344 0.865343 0.730687 Bi\n0.134657 0.134657 0.269313 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Bi"
],
"chemical_system": "Ba-Bi",
"density": 5.960835563381579,
"density_atomic": 0.022267020804746105,
"volume": 269.45679229442,
"volume_molar": 27.045112198918005,
"formula_full": "Ba4 Bi2",
"formula_reduced": "Ba2Bi",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 139
}
]
}