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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=3405",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=3403",
"results": [
{
"id": "jvasp-51740",
"created_at": "2022-09-04T14:38:16.082579Z",
"updated_at": "2022-09-04T14:38:16.082618Z",
"structure_string": "Yb4 Mg4 Ni4 H16\n1.0\n6.589115 -0.000000 0.000000\n0.000000 6.589115 -0.000000\n-0.000000 -0.000000 6.589115\nYb Mg Ni H\n4 4 4 16\ndirect\n0.155932 0.655932 0.844067 Yb\n0.655932 0.844067 0.155932 Yb\n0.844067 0.155932 0.655932 Yb\n0.344068 0.344068 0.344068 Yb\n0.841074 0.341075 0.158925 Mg\n0.341075 0.158925 0.841074 Mg\n0.158925 0.841074 0.341075 Mg\n0.658925 0.658925 0.658925 Mg\n0.044045 0.044045 0.044045 Ni\n0.544044 0.455955 0.955955 Ni\n0.955955 0.544044 0.455955 Ni\n0.455955 0.955955 0.544044 Ni\n0.234788 0.057219 0.562642 H\n0.557219 0.937357 0.765211 H\n0.062642 0.265212 0.942780 H\n0.734788 0.442780 0.437357 H\n0.942780 0.062642 0.265212 H\n0.437357 0.734788 0.442780 H\n0.765211 0.557219 0.937357 H\n0.095028 0.404972 0.595028 H\n0.937357 0.765211 0.557219 H\n0.265212 0.942780 0.062642 H\n0.904971 0.904971 0.904971 H\n0.404972 0.595028 0.095028 H\n0.562642 0.234788 0.057219 H\n0.595028 0.095028 0.404972 H\n0.442780 0.437357 0.734788 H\n0.057219 0.562642 0.234788 H\n",
"nsites": 28,
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"H"
],
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"density_atomic": 0.09787612552143544,
"volume": 286.075892878165,
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"formula_full": "Yb4 Mg4 Ni4 H16",
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"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-58958",
"created_at": "2022-09-04T14:38:17.196996Z",
"updated_at": "2022-09-04T14:38:17.197010Z",
"structure_string": "Rb12 Bi4 Se12\n1.0\n10.121481 0.000000 -0.000000\n-0.000000 10.121481 0.000000\n-0.000000 -0.000000 10.121481\nRb Bi Se\n12 4 12\ndirect\n0.324028 0.324028 0.324028 Rb\n0.175972 0.675972 0.824028 Rb\n0.824028 0.175972 0.675972 Rb\n0.675972 0.824028 0.175972 Rb\n0.569787 0.569787 0.569787 Rb\n0.930213 0.430213 0.069787 Rb\n0.069787 0.930213 0.430213 Rb\n0.430213 0.069787 0.930213 Rb\n0.813842 0.813842 0.813842 Rb\n0.686158 0.186158 0.313842 Rb\n0.313842 0.686158 0.186158 Rb\n0.186158 0.313842 0.686158 Rb\n0.965128 0.534872 0.465128 Bi\n0.534872 0.465128 0.965128 Bi\n0.465128 0.965128 0.534872 Bi\n0.034872 0.034872 0.034872 Bi\n0.219696 0.612012 0.499019 Se\n0.499019 0.219696 0.612012 Se\n0.612012 0.499019 0.219696 Se\n0.887988 0.500981 0.719696 Se\n0.999019 0.280304 0.387988 Se\n0.387988 0.999019 0.280304 Se\n0.000981 0.780304 0.112012 Se\n0.500981 0.719696 0.887988 Se\n0.112012 0.000981 0.780304 Se\n0.719696 0.887988 0.500981 Se\n0.780304 0.112012 0.000981 Se\n0.280304 0.387988 0.999019 Se\n",
"nsites": 28,
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"elements": [
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"Bi",
"Se"
],
"chemical_system": "Bi-Rb-Se",
"density": 4.4985979228326185,
"density_atomic": 0.02700385944186878,
"volume": 1036.8888217728882,
"volume_molar": 22.30103727566745,
"formula_full": "Rb12 Bi4 Se12",
"formula_reduced": "Rb3BiSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.2234292000000001,
"spacegroup": 198
},
{
"id": "jvasp-55269",
"created_at": "2022-09-04T14:38:18.860462Z",
"updated_at": "2022-09-04T14:38:18.860490Z",
"structure_string": "K12 As4 Se12\n1.0\n9.674337 -0.000000 -0.000000\n-0.000000 9.674337 0.000000\n-0.000000 -0.000000 9.674337\nK As Se\n12 4 12\ndirect\n0.819806 0.180195 0.680195 K\n0.680195 0.819806 0.180195 K\n0.180195 0.680195 0.819806 K\n0.319806 0.319806 0.319806 K\n0.186439 0.313560 0.686441 K\n0.313561 0.686441 0.186440 K\n0.686441 0.186440 0.313560 K\n0.813560 0.813560 0.813560 K\n0.425058 0.074942 0.925058 K\n0.074942 0.925058 0.425058 K\n0.925058 0.425058 0.074942 K\n0.574942 0.574942 0.574942 K\n0.525444 0.474556 0.974556 As\n0.974556 0.525444 0.474556 As\n0.474556 0.974556 0.525444 As\n0.025444 0.025444 0.025444 As\n0.285831 0.396025 0.996559 Se\n0.785831 0.103975 0.003441 Se\n0.714170 0.896025 0.503441 Se\n0.103975 0.003441 0.785831 Se\n0.503441 0.714170 0.896025 Se\n0.003441 0.785831 0.103975 Se\n0.396025 0.996559 0.285831 Se\n0.996559 0.285831 0.396025 Se\n0.896025 0.503441 0.714170 Se\n0.603975 0.496559 0.214169 Se\n0.496559 0.214169 0.603975 Se\n0.214169 0.603975 0.496559 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"As",
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],
"chemical_system": "As-K-Se",
"density": 3.1477514002375866,
"density_atomic": 0.030923909683225316,
"volume": 905.4482530450737,
"volume_molar": 19.47406010976262,
"formula_full": "K12 As4 Se12",
"formula_reduced": "K3AsSe3",
"formula_anonymous": "AB3C3",
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"spacegroup": 198
},
{
"id": "jvasp-117344",
"created_at": "2022-09-04T14:38:26.216981Z",
"updated_at": "2022-09-04T14:38:26.216998Z",
"structure_string": "K12 Sb4 S12\n1.0\n9.408350 -0.000000 0.000000\n0.000000 9.408350 0.000000\n-0.000000 -0.000000 9.408350\nK Sb S\n12 4 12\ndirect\n0.439132 0.939132 0.560868 K\n0.939132 0.560868 0.439132 K\n0.560868 0.439132 0.939132 K\n0.060868 0.060868 0.060868 K\n0.931594 0.431594 0.068406 K\n0.431594 0.068406 0.931594 K\n0.068406 0.931594 0.431594 K\n0.568406 0.568406 0.568406 K\n0.677956 0.177956 0.322044 K\n0.177956 0.322044 0.677956 K\n0.322044 0.677956 0.177956 K\n0.822044 0.822044 0.822044 K\n0.281612 0.281612 0.281612 Sb\n0.781612 0.218388 0.718388 Sb\n0.718388 0.781612 0.218388 Sb\n0.218388 0.718388 0.781612 Sb\n0.146494 0.969685 0.752368 S\n0.247632 0.646494 0.530315 S\n0.469685 0.747632 0.853506 S\n0.646494 0.530315 0.247632 S\n0.747632 0.853506 0.469685 S\n0.969685 0.752368 0.146494 S\n0.853506 0.469685 0.747632 S\n0.752368 0.146494 0.969685 S\n0.530315 0.247632 0.646494 S\n0.353506 0.030315 0.252368 S\n0.252368 0.353506 0.030315 S\n0.030315 0.252368 0.353506 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Sb",
"S"
],
"chemical_system": "K-S-Sb",
"density": 2.6738519082186487,
"density_atomic": 0.033621542609785546,
"volume": 832.7993847566829,
"volume_molar": 17.91155399945051,
"formula_full": "K12 Sb4 S12",
"formula_reduced": "K3SbS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.5744371571428571,
"spacegroup": 198
},
{
"id": "jvasp-19710",
"created_at": "2022-09-04T14:38:27.081223Z",
"updated_at": "2022-09-04T14:38:27.081254Z",
"structure_string": "Mn4 Si4\n1.0\n4.535196 -0.000000 -0.000000\n-0.000000 4.535196 -0.000000\n-0.000000 -0.000000 4.535196\nMn Si\n4 4\ndirect\n0.864210 0.635791 0.364210 Mn\n0.635791 0.364210 0.864210 Mn\n0.364210 0.864210 0.635791 Mn\n0.135790 0.135790 0.135790 Mn\n0.155402 0.344598 0.655402 Si\n0.344598 0.655402 0.155402 Si\n0.655402 0.155402 0.344598 Si\n0.844599 0.844599 0.844599 Si\n",
"nsites": 8,
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"elements": [
"Mn",
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],
"chemical_system": "Mn-Si",
"density": 5.911833296931741,
"density_atomic": 0.08576336333525887,
"volume": 93.27992383795721,
"volume_molar": 7.021810392928223,
"formula_full": "Mn4 Si4",
"formula_reduced": "MnSi",
"formula_anonymous": "AB",
"energy_above_hull": 2.286502920689655,
"spacegroup": 198
},
{
"id": "jvasp-53455",
"created_at": "2022-09-04T14:38:29.870913Z",
"updated_at": "2022-09-04T14:38:29.870936Z",
"structure_string": "Yb12 Dy4 Sb12\n1.0\n9.320509 -0.000000 0.000000\n0.000000 9.320509 0.000000\n-0.000000 0.000000 9.320509\nYb Dy Sb\n12 4 12\ndirect\n0.822808 0.677192 0.322808 Yb\n0.430961 0.430961 0.430961 Yb\n0.172902 0.827098 0.327098 Yb\n0.322808 0.822808 0.677192 Yb\n0.672902 0.672902 0.672902 Yb\n0.327098 0.172902 0.827098 Yb\n0.930961 0.069039 0.569039 Yb\n0.677192 0.322808 0.822808 Yb\n0.827098 0.327098 0.172902 Yb\n0.177192 0.177192 0.177192 Yb\n0.569039 0.930961 0.069039 Yb\n0.069039 0.569039 0.930961 Yb\n0.428411 0.571589 0.071589 Dy\n0.928411 0.928411 0.928411 Dy\n0.571589 0.071589 0.428411 Dy\n0.071589 0.428411 0.571589 Dy\n0.870224 0.001031 0.245446 Sb\n0.498969 0.754554 0.370224 Sb\n0.254554 0.129776 0.501031 Sb\n0.629776 0.998969 0.745446 Sb\n0.998969 0.745446 0.629776 Sb\n0.754554 0.370224 0.498969 Sb\n0.370224 0.498969 0.754554 Sb\n0.001031 0.245446 0.870224 Sb\n0.745446 0.629776 0.998969 Sb\n0.129776 0.501031 0.254554 Sb\n0.501031 0.254554 0.129776 Sb\n0.245446 0.870224 0.001031 Sb\n",
"nsites": 28,
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"elements": [
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"Dy",
"Sb"
],
"chemical_system": "Dy-Sb-Yb",
"density": 8.58806649006592,
"density_atomic": 0.03458112684506854,
"volume": 809.6902141288365,
"volume_molar": 17.41453014813712,
"formula_full": "Yb12 Dy4 Sb12",
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"formula_anonymous": "AB3C3",
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},
{
"id": "jvasp-16799",
"created_at": "2022-09-04T14:38:30.557153Z",
"updated_at": "2022-09-04T14:38:30.557163Z",
"structure_string": "Mg4 Pt4\n1.0\n5.080512 -0.000000 0.000000\n0.000000 5.080512 -0.000000\n0.000000 0.000000 5.080512\nMg Pt\n4 4\ndirect\n0.155803 0.344197 0.655803 Mg\n0.344197 0.655803 0.155803 Mg\n0.655803 0.155803 0.344197 Mg\n0.844196 0.844196 0.844196 Mg\n0.851541 0.648459 0.351541 Pt\n0.648459 0.351541 0.851541 Pt\n0.351541 0.851541 0.648459 Pt\n0.148459 0.148459 0.148459 Pt\n",
"nsites": 8,
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"elements": [
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"Pt"
],
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"density": 11.112236936408221,
"density_atomic": 0.061005296539614486,
"volume": 131.13615462560875,
"volume_molar": 9.871504773506764,
"formula_full": "Mg4 Pt4",
"formula_reduced": "MgPt",
"formula_anonymous": "AB",
"energy_above_hull": 0.4151305599999999,
"spacegroup": 198
},
{
"id": "jvasp-19727",
"created_at": "2022-09-04T14:38:31.198715Z",
"updated_at": "2022-09-04T14:38:31.198739Z",
"structure_string": "Si4 Rh4\n1.0\n4.738932 -0.000000 0.000000\n0.000000 4.738932 0.000000\n0.000000 0.000000 4.738932\nSi Rh\n4 4\ndirect\n0.159088 0.340911 0.659088 Si\n0.340911 0.659088 0.159088 Si\n0.659088 0.159088 0.340911 Si\n0.840911 0.840911 0.840911 Si\n0.846015 0.653984 0.346016 Rh\n0.653984 0.346016 0.846015 Rh\n0.346016 0.846015 0.653984 Rh\n0.153984 0.153984 0.153984 Rh\n",
"nsites": 8,
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"elements": [
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"Rh"
],
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"density": 8.175401973522371,
"density_atomic": 0.07517069336236462,
"volume": 106.4244540280551,
"volume_molar": 8.01128803078871,
"formula_full": "Si4 Rh4",
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"formula_anonymous": "AB",
"energy_above_hull": 1.6767658000000003,
"spacegroup": 198
},
{
"id": "jvasp-21625",
"created_at": "2022-09-04T14:38:31.815171Z",
"updated_at": "2022-09-04T14:38:31.815196Z",
"structure_string": "Ni4 As4 Se4\n1.0\n5.898890 -0.000000 -0.000000\n0.000000 5.898890 -0.000000\n-0.000000 -0.000000 5.898890\nNi As Se\n4 4 4\ndirect\n0.003913 0.003913 0.003913 Ni\n0.496087 0.996087 0.503913 Ni\n0.503913 0.496087 0.996087 Ni\n0.996087 0.503913 0.496087 Ni\n0.622782 0.622782 0.622782 As\n0.877218 0.377218 0.122782 As\n0.122782 0.877218 0.377218 As\n0.377218 0.122782 0.877218 As\n0.378516 0.378516 0.378516 Se\n0.121484 0.621484 0.878516 Se\n0.878516 0.121484 0.621484 Se\n0.621484 0.878516 0.121484 Se\n",
"nsites": 12,
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"elements": [
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"As",
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],
"chemical_system": "As-Ni-Se",
"density": 6.878763583560572,
"density_atomic": 0.05846155366710008,
"volume": 205.26310450680236,
"volume_molar": 10.301027568121286,
"formula_full": "Ni4 As4 Se4",
"formula_reduced": "NiAsSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3051425055555552,
"spacegroup": 198
},
{
"id": "jvasp-21627",
"created_at": "2022-09-04T14:38:32.652042Z",
"updated_at": "2022-09-04T14:38:32.652069Z",
"structure_string": "As4 Pd4 S4\n1.0\n6.033766 -0.000000 0.000000\n-0.000000 6.033766 0.000000\n0.000000 0.000000 6.033766\nAs Pd S\n4 4 4\ndirect\n0.613444 0.613444 0.613444 As\n0.886557 0.386557 0.113443 As\n0.113443 0.886557 0.386557 As\n0.386557 0.113443 0.886557 As\n0.000514 0.499487 0.500514 Pd\n0.499487 0.500514 0.000514 Pd\n0.500514 0.000514 0.499487 Pd\n0.999487 0.999487 0.999487 Pd\n0.607331 0.892670 0.107330 S\n0.892670 0.107330 0.607331 S\n0.107330 0.607331 0.892670 S\n0.392670 0.392670 0.392670 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"As",
"Pd",
"S"
],
"chemical_system": "As-Pd-S",
"density": 6.452849632265753,
"density_atomic": 0.05462806980015769,
"volume": 219.6672890676683,
"volume_molar": 11.023894459442563,
"formula_full": "As4 Pd4 S4",
"formula_reduced": "AsPdS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.60920915,
"spacegroup": 198
},
{
"id": "jvasp-21626",
"created_at": "2022-09-04T14:38:33.095980Z",
"updated_at": "2022-09-04T14:38:33.096005Z",
"structure_string": "Ni4 Sb4 Se4\n1.0\n6.152967 0.000000 0.000000\n-0.000000 6.152967 0.000000\n0.000000 0.000000 6.152967\nNi Sb Se\n4 4 4\ndirect\n0.991785 0.991785 0.991785 Ni\n0.508216 0.008216 0.491784 Ni\n0.491784 0.508216 0.008216 Ni\n0.008216 0.491784 0.508216 Ni\n0.369871 0.130130 0.869871 Sb\n0.869871 0.369871 0.130130 Sb\n0.630130 0.630130 0.630130 Sb\n0.130130 0.869871 0.369871 Sb\n0.875468 0.124533 0.624533 Se\n0.124533 0.624533 0.875468 Se\n0.624533 0.875468 0.124533 Se\n0.375468 0.375468 0.375468 Se\n",
"nsites": 12,
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"elements": [
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"Sb",
"Se"
],
"chemical_system": "Ni-Sb-Se",
"density": 7.3968657588503826,
"density_atomic": 0.05151426271505058,
"volume": 232.94519551561086,
"volume_molar": 11.690239639672745,
"formula_full": "Ni4 Sb4 Se4",
"formula_reduced": "NiSbSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0933339555555557,
"spacegroup": 198
},
{
"id": "jvasp-21628",
"created_at": "2022-09-04T14:38:33.170260Z",
"updated_at": "2022-09-04T14:38:33.170282Z",
"structure_string": "As4 Pd4 Se4\n1.0\n6.189231 -0.000000 -0.000000\n0.000000 6.189231 0.000000\n0.000000 0.000000 6.189231\nAs Pd Se\n4 4 4\ndirect\n0.116549 0.883450 0.383451 As\n0.883450 0.383451 0.116549 As\n0.616549 0.616549 0.616549 As\n0.383451 0.116549 0.883450 As\n0.992913 0.507087 0.492913 Pd\n0.507087 0.492913 0.992913 Pd\n0.492913 0.992913 0.507087 Pd\n0.007087 0.007087 0.007087 Pd\n0.114140 0.614140 0.885860 Se\n0.885860 0.114140 0.614140 Se\n0.614140 0.885860 0.114140 Se\n0.385860 0.385860 0.385860 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Se"
],
"chemical_system": "As-Pd-Se",
"density": 7.29249013052848,
"density_atomic": 0.050614059312885346,
"volume": 237.08827473841907,
"volume_molar": 11.898158025169266,
"formula_full": "As4 Pd4 Se4",
"formula_reduced": "AsPdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4736436055555555,
"spacegroup": 198
}
]
}