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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4499",
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"results": [
{
"id": "jvasp-15703",
"created_at": "2022-09-04T14:36:12.993367Z",
"updated_at": "2022-09-04T14:36:12.993401Z",
"structure_string": "Ba2 Sb6\n1.0\n6.243836 -0.009850 1.969935\n1.681136 6.533786 1.626544\n-0.005526 0.007836 6.939895\nBa Sb\n2 6\ndirect\n0.178491 0.664729 0.664727 Ba\n0.821509 0.335273 0.335272 Ba\n0.295938 0.143896 0.579860 Sb\n0.704062 0.420141 0.856104 Sb\n0.270349 0.014812 0.014812 Sb\n0.729652 0.985189 0.985187 Sb\n0.295938 0.579860 0.143895 Sb\n0.704063 0.856106 0.420140 Sb\n",
"nsites": 8,
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"elements": [
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"density": 5.892982157210607,
"density_atomic": 0.028243433186688403,
"volume": 283.25168357260947,
"volume_molar": 21.322268862265425,
"formula_full": "Ba2 Sb6",
"formula_reduced": "BaSb3",
"formula_anonymous": "AB3",
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"spacegroup": 12
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{
"id": "jvasp-110748",
"created_at": "2022-09-04T14:38:39.794991Z",
"updated_at": "2022-09-04T14:38:39.795011Z",
"structure_string": "Ba3 Sb1\n1.0\n5.489209 -0.000000 0.000000\n0.000000 5.489209 0.000000\n-0.000000 -0.000000 5.489209\nBa Sb\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Sb",
"density": 5.358587938986683,
"density_atomic": 0.02418414238708885,
"volume": 165.39763684717113,
"volume_molar": 24.901196261625678,
"formula_full": "Ba3 Sb1",
"formula_reduced": "Ba3Sb",
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{
"id": "jvasp-85489",
"created_at": "2022-09-04T14:35:51.704920Z",
"updated_at": "2022-09-04T14:35:51.704949Z",
"structure_string": "Ba2 Sb4\n1.0\n4.468351 0.000000 0.000000\n0.000000 5.083877 -1.046946\n0.000000 -0.008019 9.482655\nBa Sb\n2 4\ndirect\n0.250000 0.416817 0.286891 Ba\n0.750000 0.583183 0.713109 Ba\n0.250000 0.043244 0.605380 Sb\n0.750000 0.956756 0.394620 Sb\n0.250000 0.826130 0.021184 Sb\n0.750000 0.173870 0.978816 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.87263494119191,
"density_atomic": 0.02785830078234069,
"volume": 215.37566296230764,
"volume_molar": 21.617042643955585,
"formula_full": "Ba2 Sb4",
"formula_reduced": "BaSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.61864939,
"spacegroup": 11
},
{
"id": "jvasp-10463",
"created_at": "2022-09-04T14:37:15.606894Z",
"updated_at": "2022-09-04T14:37:15.606913Z",
"structure_string": "Ba10 Sb8\n1.0\n8.104133 -0.000000 -4.118959\n-0.000000 9.133181 -0.000000\n-0.011485 0.000000 10.009406\nBa Sb\n10 8\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.475577 0.834081 0.290909 Ba\n0.684668 0.665919 0.709092 Ba\n0.975576 0.665919 0.290909 Ba\n0.184668 0.834081 0.709092 Ba\n0.524424 0.165919 0.709092 Ba\n0.315332 0.334081 0.290909 Ba\n0.000000 0.000000 0.000000 Ba\n0.024424 0.334081 0.709092 Ba\n0.815332 0.165919 0.290909 Ba\n0.699561 0.500000 0.399124 Sb\n0.800439 0.000000 0.600877 Sb\n0.300439 0.500000 0.600877 Sb\n0.199561 0.000000 0.399124 Sb\n0.114901 0.614800 -0.000000 Sb\n0.614901 0.885200 -0.000000 Sb\n0.385098 0.114800 -0.000000 Sb\n0.885098 0.385200 -0.000000 Sb\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.264333127698285,
"density_atomic": 0.02431022182643174,
"volume": 740.4292782071271,
"volume_molar": 24.772051867714,
"formula_full": "Ba10 Sb8",
"formula_reduced": "Ba5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.5599060277777778,
"spacegroup": 64
},
{
"id": "jvasp-78510",
"created_at": "2022-09-04T14:37:12.326326Z",
"updated_at": "2022-09-04T14:37:12.326345Z",
"structure_string": "Ba1 Sb2\n1.0\n-0.133171 0.000000 4.679036\n-2.558899 4.591623 -0.072818\n-2.558899 -4.591623 -0.072818\nBa Sb\n1 2\ndirect\n-0.000000 0.000000 0.500000 Ba\n0.500000 0.339637 0.160363 Sb\n0.500000 0.660363 0.839637 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Sb"
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"chemical_system": "Ba-Sb",
"density": 5.7470144365153955,
"density_atomic": 0.027262388753285214,
"volume": 110.04171450817894,
"volume_molar": 22.08955647466626,
"formula_full": "Ba1 Sb2",
"formula_reduced": "BaSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.65140939,
"spacegroup": 65
},
{
"id": "jvasp-36483",
"created_at": "2022-09-04T14:37:33.659958Z",
"updated_at": "2022-09-04T14:37:33.659977Z",
"structure_string": "Ba3 Sb2\n1.0\n6.451010 -0.000000 -0.000000\n-0.000000 6.451010 -0.000000\n0.000000 -0.000000 6.451010\nBa Sb\n3 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 4.054518727099508,
"density_atomic": 0.01862459591754034,
"volume": 268.46220031496534,
"volume_molar": 32.33434318072075,
"formula_full": "Ba3 Sb2",
"formula_reduced": "Ba3Sb2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.4041660220000002,
"spacegroup": 221
},
{
"id": "jvasp-16196",
"created_at": "2022-09-04T14:35:50.080857Z",
"updated_at": "2022-09-04T14:35:50.080894Z",
"structure_string": "Ba4 Sb2\n1.0\n5.025206 -0.000000 -1.367378\n-0.372069 5.011412 -1.367378\n0.073959 0.079653 10.189475\nBa Sb\n4 2\ndirect\n0.319422 0.319421 0.638843 Ba\n0.680579 0.680578 0.361157 Ba\n-0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.865913 0.865911 0.731823 Sb\n0.134088 0.134088 0.268177 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.108737357698083,
"density_atomic": 0.023282882656435123,
"volume": 257.70004893881423,
"volume_molar": 25.865099476140465,
"formula_full": "Ba4 Sb2",
"formula_reduced": "Ba2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0180193466666666,
"spacegroup": 139
},
{
"id": "jvasp-22458",
"created_at": "2022-09-04T14:38:32.533292Z",
"updated_at": "2022-09-04T14:38:32.533300Z",
"structure_string": "Ba10 Sb6\n1.0\n5.048711 -8.744624 0.000000\n5.048711 8.744624 0.000000\n-0.000000 0.000000 7.754844\nBa Sb\n10 6\ndirect\n0.743375 0.000000 0.250000 Ba\n0.256624 0.000000 0.750000 Ba\n0.743375 0.743375 0.750000 Ba\n0.000000 0.743375 0.250000 Ba\n0.256624 0.256624 0.250000 Ba\n0.000000 0.256624 0.750000 Ba\n0.333333 0.666667 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.000000 0.389816 0.250000 Sb\n0.389816 0.389816 0.750000 Sb\n0.610183 0.000000 0.750000 Sb\n0.389816 0.000000 0.250000 Sb\n0.610183 0.610183 0.250000 Sb\n0.000000 0.610183 0.750000 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.101936252441848,
"density_atomic": 0.023366586289857612,
"volume": 684.7384466658223,
"volume_molar": 25.772445685033336,
"formula_full": "Ba10 Sb6",
"formula_reduced": "Ba5Sb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.39062976875,
"spacegroup": 193
},
{
"id": "jvasp-2088",
"created_at": "2022-09-04T14:36:12.730754Z",
"updated_at": "2022-09-04T14:36:12.730781Z",
"structure_string": "Ba2 S6\n1.0\n6.933495 0.000000 0.000000\n0.000000 6.933495 0.000000\n0.000000 0.000000 4.181344\nBa S\n2 6\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.820106 0.679893 0.478582 S\n0.320106 0.820106 0.521417 S\n0.000000 0.500000 0.206705 S\n0.500000 0.000000 0.793294 S\n0.179894 0.320106 0.478582 S\n0.679893 0.179894 0.521417 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"S"
],
"chemical_system": "Ba-S",
"density": 3.8582163998352508,
"density_atomic": 0.03979877227906192,
"volume": 201.0112257711223,
"volume_molar": 15.131473699172975,
"formula_full": "Ba2 S6",
"formula_reduced": "BaS3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.3446699999999998,
"spacegroup": 113
},
{
"id": "jvasp-1315",
"created_at": "2022-09-04T14:35:54.538791Z",
"updated_at": "2022-09-04T14:35:54.538820Z",
"structure_string": "Ba1 S1\n1.0\n3.932072 -0.000000 2.270183\n1.310691 3.707193 2.270183\n0.000000 0.000000 4.540366\nBa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"S"
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"chemical_system": "Ba-S",
"density": 4.249956377385141,
"density_atomic": 0.030218470219747898,
"volume": 66.1846872279124,
"volume_molar": 19.928675132153135,
"formula_full": "Ba1 S1",
"formula_reduced": "BaS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2100",
"created_at": "2022-09-04T14:36:55.197473Z",
"updated_at": "2022-09-04T14:36:55.197492Z",
"structure_string": "Ba2 S4\n1.0\n4.579470 -0.000000 1.369528\n2.221502 4.672990 0.912923\n-0.000962 0.032631 8.344463\nBa S\n2 4\ndirect\n0.142109 0.250000 0.750000 Ba\n0.857891 0.750000 0.250000 Ba\n0.482936 0.300491 0.022259 S\n0.805686 0.199509 0.477741 S\n0.194314 0.800491 0.522258 S\n0.517064 0.699509 0.977741 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Ba-S",
"density": 3.7473854090648655,
"density_atomic": 0.03360610317312018,
"volume": 178.53899838048156,
"volume_molar": 17.919782989944533,
"formula_full": "Ba2 S4",
"formula_reduced": "BaS2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9161700000000002,
"spacegroup": 15
},
{
"id": "jvasp-12975",
"created_at": "2022-09-04T14:37:14.805982Z",
"updated_at": "2022-09-04T14:37:14.806016Z",
"structure_string": "Ba4 S6\n1.0\n5.650368 0.000000 -2.021845\n-0.723468 5.603860 -2.021845\n0.081981 0.093246 9.135458\nBa S\n4 6\ndirect\n0.953360 0.453360 0.906720 Ba\n0.203360 0.203360 0.406720 Ba\n0.552289 0.052289 0.104577 Ba\n0.802289 0.802289 0.604577 Ba\n0.962961 0.640586 0.281172 S\n0.390586 0.212962 0.781173 S\n0.390586 0.568213 0.781173 S\n0.318212 0.640586 0.281173 S\n0.000379 0.000379 0.000757 S\n0.750379 0.250379 0.500757 S\n",
"nsites": 10,
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"elements": [
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"S"
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"chemical_system": "Ba-S",
"density": 4.226636444988405,
"density_atomic": 0.03431774067324211,
"volume": 291.39447422298116,
"volume_molar": 17.54818540456984,
"formula_full": "Ba4 S6",
"formula_reduced": "Ba2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.2136520000000002,
"spacegroup": 109
}
]
}