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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4098",
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"results": [
{
"id": "jvasp-30062",
"created_at": "2022-09-04T14:38:06.585072Z",
"updated_at": "2022-09-04T14:38:06.585084Z",
"structure_string": "Nb2 Si1 Te4\n1.0\n2.975830 -0.479911 -2.170515\n-2.308536 7.952880 -1.744831\n0.825029 -0.605866 7.621678\nNb Si Te\n2 1 4\ndirect\n0.802128 0.366034 0.186389 Nb\n0.912173 0.333064 0.813051 Nb\n0.357137 0.849515 -0.000307 Si\n0.217070 0.060479 0.754262 Te\n0.497254 0.638636 0.245192 Te\n0.409987 0.555151 0.699769 Te\n0.304247 0.143921 0.299642 Te\n",
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{
"id": "jvasp-29304",
"created_at": "2022-09-04T14:38:07.589878Z",
"updated_at": "2022-09-04T14:38:07.589908Z",
"structure_string": "Nb12 Si4 Te24\n1.0\n6.442061 -0.000000 0.000000\n0.000000 11.661681 0.000000\n0.000000 0.000000 14.238720\nNb Si Te\n12 4 24\ndirect\n0.168792 0.835104 0.250000 Nb\n0.668792 0.664895 0.250000 Nb\n0.331208 0.335105 0.750000 Nb\n0.831208 0.164895 0.750000 Nb\n0.695932 0.967882 0.250000 Nb\n0.195932 0.532118 0.250000 Nb\n0.804068 0.467882 0.750000 Nb\n0.304068 0.032118 0.750000 Nb\n0.969140 0.312052 0.250000 Nb\n0.469140 0.187948 0.250000 Nb\n0.530860 0.812052 0.750000 Nb\n0.030860 0.687948 0.750000 Nb\n0.924500 0.925212 0.750000 Si\n0.424500 0.574788 0.750000 Si\n0.575500 0.425212 0.250000 Si\n0.075500 0.074788 0.250000 Si\n0.144791 0.497694 0.879038 Te\n0.644791 0.002306 0.620962 Te\n0.644791 0.002306 0.879038 Te\n0.144791 0.497694 0.620962 Te\n0.855208 0.502306 0.120962 Te\n0.355208 0.997694 0.379038 Te\n0.796420 0.156318 0.117334 Te\n0.296421 0.343682 0.382666 Te\n0.703579 0.656318 0.882666 Te\n0.203579 0.843682 0.617334 Te\n0.203579 0.843682 0.882666 Te\n0.151087 0.182081 0.884137 Te\n0.296421 0.343682 0.117334 Te\n0.796420 0.156318 0.382666 Te\n0.848913 0.817919 0.115863 Te\n0.348913 0.682081 0.384137 Te\n0.651087 0.317919 0.884137 Te\n0.151087 0.182081 0.615863 Te\n0.855208 0.502306 0.379038 Te\n0.651087 0.317919 0.615863 Te\n0.348913 0.682081 0.115863 Te\n0.848913 0.817919 0.384137 Te\n0.703579 0.656318 0.617334 Te\n0.355208 0.997694 0.120962 Te\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Si",
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],
"chemical_system": "Nb-Si-Te",
"density": 6.659027879639097,
"density_atomic": 0.037394097091755625,
"volume": 1069.6875472577972,
"volume_molar": 16.104522447014016,
"formula_full": "Nb12 Si4 Te24",
"formula_reduced": "Nb3SiTe6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.96049034,
"spacegroup": 62
},
{
"id": "jvasp-19668",
"created_at": "2022-09-04T14:38:13.477673Z",
"updated_at": "2022-09-04T14:38:13.477698Z",
"structure_string": "Nb6 Sn2\n1.0\n5.331994 0.000000 -0.000000\n0.000000 5.331994 -0.000000\n-0.000000 -0.000000 5.331994\nNb Sn\n6 2\ndirect\n0.250000 0.000000 0.500000 Nb\n0.749999 0.000000 0.500000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.749999 Nb\n0.500000 0.749999 0.000000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Nb-Sn",
"density": 8.707026053388084,
"density_atomic": 0.05277412372188985,
"volume": 151.58944262454384,
"volume_molar": 11.411162015186838,
"formula_full": "Nb6 Sn2",
"formula_reduced": "Nb3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 4.182147475,
"spacegroup": 223
},
{
"id": "jvasp-122590",
"created_at": "2022-09-04T14:38:51.601113Z",
"updated_at": "2022-09-04T14:38:51.601134Z",
"structure_string": "Nb1 Sn7\n1.0\n6.579314 -0.000000 -0.000000\n0.000000 6.579314 0.000000\n-0.000000 -0.000000 6.579314\nNb Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Nb\n0.242420 0.242420 0.742420 Sn\n0.000000 0.500000 0.000000 Sn\n0.242420 0.757580 0.257580 Sn\n0.500000 0.000000 0.000000 Sn\n0.757580 0.242420 0.257580 Sn\n0.500000 0.500000 0.500000 Sn\n0.757580 0.757580 0.742420 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Nb-Sn",
"density": 5.386679299525356,
"density_atomic": 0.028089767578584692,
"volume": 284.8012172980422,
"volume_molar": 21.43891273985196,
"formula_full": "Nb1 Sn7",
"formula_reduced": "NbSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 1.2693664125000002,
"spacegroup": 215
},
{
"id": "jvasp-20114",
"created_at": "2022-09-04T14:37:40.660719Z",
"updated_at": "2022-09-04T14:37:40.660728Z",
"structure_string": "Nb4 Sn8\n1.0\n5.491508 -0.000000 1.616198\n2.745755 4.979729 0.808098\n0.017261 0.000000 10.078962\nNb Sn\n4 8\ndirect\n0.001950 0.250000 0.996099 Nb\n0.748049 0.250000 0.503901 Nb\n0.998049 0.750000 0.003901 Nb\n0.251950 0.750000 0.496099 Nb\n0.043921 0.912158 0.250000 Sn\n0.706078 0.587842 0.250000 Sn\n0.956079 0.087842 0.750000 Sn\n0.293921 0.412158 0.750000 Sn\n0.292748 0.250000 0.414505 Sn\n0.457252 0.250000 0.085495 Sn\n0.707251 0.750000 0.585496 Sn\n0.542748 0.750000 0.914505 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
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],
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"density": 7.964493469829026,
"density_atomic": 0.043559918624107144,
"volume": 275.4826083021859,
"volume_molar": 13.824958701064235,
"formula_full": "Nb4 Sn8",
"formula_reduced": "NbSn2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8317976,
"spacegroup": 70
},
{
"id": "jvasp-120409",
"created_at": "2022-09-04T14:38:49.851700Z",
"updated_at": "2022-09-04T14:38:49.851733Z",
"structure_string": "Tb1 Nb6 Sn6\n1.0\n5.807089 0.000000 0.000000\n-2.903545 5.029087 0.000000\n0.000000 -0.000000 9.628961\nTb Nb Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000001 0.500000 0.750661 Nb\n0.500001 0.500000 0.750661 Nb\n0.500000 -0.000000 0.750661 Nb\n0.000001 0.500000 0.249339 Nb\n0.500001 0.500000 0.249339 Nb\n0.500000 -0.000000 0.249339 Nb\n0.666667 0.333334 0.500000 Sn\n0.333334 0.666667 0.500000 Sn\n0.666667 0.333334 -0.000000 Sn\n0.333334 0.666667 -0.000000 Sn\n0.000000 0.000000 0.673907 Sn\n0.000000 0.000000 0.326093 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"Sn"
],
"chemical_system": "Nb-Sn-Tb",
"density": 8.436064045634284,
"density_atomic": 0.046229191035404876,
"volume": 281.2076030065912,
"volume_molar": 13.026705908368399,
"formula_full": "Tb1 Nb6 Sn6",
"formula_reduced": "Tb(NbSn)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.4639903846153848,
"spacegroup": 191
},
{
"id": "jvasp-110015",
"created_at": "2022-09-04T14:38:26.944795Z",
"updated_at": "2022-09-04T14:38:26.944819Z",
"structure_string": "Nb1 Tc2 Sn1\n1.0\n3.944167 -0.000000 2.277166\n1.314722 3.718596 2.277166\n-0.000000 -0.000000 4.554331\nNb Tc Sn\n1 2 1\ndirect\n0.500000 0.500001 0.500001 Nb\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750001 0.750001 Tc\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"Tc",
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],
"chemical_system": "Nb-Sn-Tc",
"density": 10.133088627778413,
"density_atomic": 0.059882663273860645,
"volume": 66.79729626765011,
"volume_molar": 10.056568012780291,
"formula_full": "Nb1 Tc2 Sn1",
"formula_reduced": "NbTc2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.168988525,
"spacegroup": 225
},
{
"id": "jvasp-109675",
"created_at": "2022-09-04T14:38:20.553321Z",
"updated_at": "2022-09-04T14:38:20.553347Z",
"structure_string": "Ti3 Nb3 Sn2\n1.0\n5.277031 -0.014960 -0.022170\n-0.022200 5.277005 -0.022170\n-0.014939 -0.014960 5.277056\nTi Nb Sn\n3 3 2\ndirect\n-0.000000 0.737558 0.262442 Ti\n0.737558 0.262442 -0.000000 Ti\n0.262442 -0.000000 0.737558 Ti\n0.500000 0.744789 0.255211 Nb\n0.744789 0.255211 0.500000 Nb\n0.255211 0.500000 0.744789 Nb\n0.241697 0.241697 0.241697 Sn\n0.758303 0.758304 0.758303 Sn\n",
"nsites": 8,
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"elements": [
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"Nb",
"Sn"
],
"chemical_system": "Nb-Sn-Ti",
"density": 7.455361483836495,
"density_atomic": 0.05444232789941975,
"volume": 146.94448802372509,
"volume_molar": 11.061504884812583,
"formula_full": "Ti3 Nb3 Sn2",
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"formula_anonymous": "A2B3C3",
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"spacegroup": 155
},
{
"id": "jvasp-51152",
"created_at": "2022-09-04T14:36:37.013908Z",
"updated_at": "2022-09-04T14:36:37.013928Z",
"structure_string": "Sr1 Zr2 Nb1\n1.0\n-0.000000 3.654292 3.654292\n3.654292 -0.000000 3.654292\n3.654292 3.654292 0.000000\nSr Zr Nb\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.175687792464252,
"density_atomic": 0.040984557851037044,
"volume": 97.59773460380973,
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"formula_full": "Sr1 Zr2 Nb1",
"formula_reduced": "SrZr2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5498586775,
"spacegroup": 216
},
{
"id": "jvasp-16167",
"created_at": "2022-09-04T14:36:54.473585Z",
"updated_at": "2022-09-04T14:36:54.473610Z",
"structure_string": "Nb2 Sn2 S4\n1.0\n1.681887 -2.913114 -0.000000\n1.681887 2.913114 0.000000\n-0.000000 0.000000 17.616023\nNb Sn S\n2 2 4\ndirect\n0.333334 0.666668 0.250000 Nb\n0.666668 0.333334 0.750000 Nb\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.660971 S\n0.000000 0.000000 0.160971 S\n0.000000 0.000000 0.839028 S\n0.000000 0.000000 0.339028 S\n",
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"formula_full": "Nb2 Sn2 S4",
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"spacegroup": 194
},
{
"id": "jvasp-25579",
"created_at": "2022-09-04T14:38:18.282604Z",
"updated_at": "2022-09-04T14:38:18.282629Z",
"structure_string": "Nb6 Sn2 S12\n1.0\n2.925960 -5.067912 0.000000\n2.925960 5.067912 -0.000000\n-0.000000 -0.000000 14.549861\nNb Sn S\n6 2 12\ndirect\n0.333333 0.666667 0.999425 Nb\n0.000000 0.000000 0.000000 Nb\n0.666667 0.333333 0.000575 Nb\n0.333333 0.666667 0.500575 Nb\n0.000000 0.000000 0.500000 Nb\n0.666667 0.333333 0.499425 Nb\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n0.330769 0.333007 0.891974 S\n-0.002238 0.666993 0.108026 S\n0.330769 -0.002238 0.608026 S\n0.002238 0.333007 0.608026 S\n0.333007 0.002238 0.391974 S\n0.666993 0.669231 0.608026 S\n0.666993 -0.002238 0.891974 S\n0.002238 0.669231 0.891974 S\n-0.002238 0.330769 0.391974 S\n0.669231 0.666993 0.391974 S\n0.669231 0.002238 0.108026 S\n0.333007 0.330769 0.108026 S\n",
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"volume": 431.5054545244648,
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"formula_full": "Nb6 Sn2 S12",
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"formula_anonymous": "AB3C6",
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"spacegroup": 182
},
{
"id": "jvasp-58427",
"created_at": "2022-09-04T14:37:47.011390Z",
"updated_at": "2022-09-04T14:37:47.011410Z",
"structure_string": "Nb6 Sn2 S12\n1.0\n2.924825 -5.065944 0.000000\n2.924825 5.065944 -0.000000\n0.000000 -0.000000 14.560511\nNb Sn S\n6 2 12\ndirect\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.333332 0.666666 0.250000 Nb\n0.666666 0.333332 0.750000 Nb\n0.666666 0.333332 0.250000 Nb\n0.333332 0.666666 0.750000 Nb\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.663719 0.663719 0.358038 S\n0.663719 -0.000000 0.858038 S\n0.336280 0.336280 0.858038 S\n0.336280 0.336280 0.641962 S\n-0.000000 0.663719 0.641962 S\n0.663719 0.663719 0.141962 S\n0.663719 -0.000000 0.641962 S\n0.336280 -0.000000 0.141962 S\n-0.000000 0.336280 0.358038 S\n-0.000000 0.336280 0.141962 S\n0.336280 -0.000000 0.358038 S\n-0.000000 0.663719 0.858038 S\n",
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"volume": 431.4861730670283,
"volume_molar": 12.992352351016827,
"formula_full": "Nb6 Sn2 S12",
"formula_reduced": "Nb3SnS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.27525799,
"spacegroup": 193
}
]
}