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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1550",
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"results": [
{
"id": "jvasp-115388",
"created_at": "2022-09-04T14:38:45.727682Z",
"updated_at": "2022-09-04T14:38:45.727691Z",
"structure_string": "Pb1 S2\n1.0\n3.999269 -0.005380 -0.479650\n1.585169 -6.746110 -2.071832\n0.000594 -2.209592 -3.358530\nPb S\n1 2\ndirect\n0.049778 0.918641 0.854614 Pb\n0.508206 0.231335 -0.000279 S\n0.592062 0.606144 0.708556 S\n",
"nsites": 3,
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"elements": [
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"volume": 73.95267505400844,
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"formula_full": "Pb1 S2",
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{
"id": "jvasp-115385",
"created_at": "2022-09-04T14:38:46.324861Z",
"updated_at": "2022-09-04T14:38:46.324888Z",
"structure_string": "Pb1 S2\n1.0\n8.530963 0.000000 -0.177474\n0.000000 3.735045 0.000000\n-0.147343 0.000000 7.037321\nPb S\n1 2\ndirect\n0.611847 0.000000 -0.016500 Pb\n-0.212938 0.000000 -0.232463 S\n0.001090 0.000000 0.648963 S\n",
"nsites": 3,
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"elements": [
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"volume": 224.13622396564898,
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"formula_full": "Pb1 S2",
"formula_reduced": "PbS2",
"formula_anonymous": "AB2",
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"spacegroup": 6
},
{
"id": "jvasp-115381",
"created_at": "2022-09-04T14:38:45.651798Z",
"updated_at": "2022-09-04T14:38:45.651828Z",
"structure_string": "Pb1 S1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nPb S\n1 1\ndirect\n0.000000 0.000000 0.874685 Pb\n0.000000 0.000000 0.125315 S\n",
"nsites": 2,
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"elements": [
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"density": 0.6839727005083879,
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"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 1.22287041,
"spacegroup": 99
},
{
"id": "jvasp-115391",
"created_at": "2022-09-04T14:38:46.356912Z",
"updated_at": "2022-09-04T14:38:46.356935Z",
"structure_string": "Pb1 S1\n1.0\n4.116381 0.870059 0.495369\n-1.344143 -4.015695 0.111326\n-1.832228 0.508367 -3.785128\nPb S\n1 1\ndirect\n0.637140 0.821554 0.066963 Pb\n0.636548 0.321273 0.566488 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "Pb-S",
"density": 7.39202350601401,
"density_atomic": 0.03721046209836691,
"volume": 53.74832472418492,
"volume_molar": 16.183998855161487,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.39141541,
"spacegroup": 225
},
{
"id": "jvasp-115393",
"created_at": "2022-09-04T14:38:43.781405Z",
"updated_at": "2022-09-04T14:38:43.781430Z",
"structure_string": "Pb2 S2\n1.0\n7.084387 -1.497015 0.692146\n3.497652 -6.168429 1.792722\n0.855816 2.399816 -3.393363\nPb S\n2 2\ndirect\n0.978109 -0.021941 0.011880 Pb\n0.478108 0.978115 0.511884 Pb\n0.477962 0.478334 0.011947 S\n-0.021949 0.478254 0.512165 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Pb-S",
"density": 7.411862630202663,
"density_atomic": 0.03731032960799889,
"volume": 107.20891619093196,
"volume_molar": 16.140679600720883,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3969504099999998,
"spacegroup": 225
},
{
"id": "jvasp-78355",
"created_at": "2022-09-04T14:37:56.318323Z",
"updated_at": "2022-09-04T14:37:56.318347Z",
"structure_string": "Pb1 S1\n1.0\n-3.734257 0.000000 1.990140\n-2.397442 3.486774 0.000000\n-3.590441 0.098885 -2.238517\nPb S\n1 1\ndirect\n0.977916 0.977914 0.066255 Pb\n0.477684 0.477683 0.566947 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "Pb-S",
"density": 7.413930951922551,
"density_atomic": 0.03732074126414452,
"volume": 53.58950364475952,
"volume_molar": 16.136176710363742,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3972304099999999,
"spacegroup": 225
},
{
"id": "jvasp-91778",
"created_at": "2022-09-04T14:36:05.875352Z",
"updated_at": "2022-09-04T14:36:05.875375Z",
"structure_string": "Pb4 S4\n1.0\n0.000000 -4.027969 0.000000\n-5.885917 0.000000 0.688833\n-0.421169 0.000000 -10.027769\nPb S\n4 4\ndirect\n0.250000 0.761821 0.612396 Pb\n0.750000 0.238179 0.387604 Pb\n0.250000 0.234088 0.899660 Pb\n0.750000 0.765913 0.100341 Pb\n0.250000 0.741287 0.907177 S\n0.750000 0.258713 0.092824 S\n0.750000 0.068982 0.658284 S\n0.250000 0.931018 0.341717 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density": 6.652030337754265,
"density_atomic": 0.03348543501773366,
"volume": 238.9098423169134,
"volume_molar": 17.984358742273216,
"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4541754099999999,
"spacegroup": 11
},
{
"id": "jvasp-90798",
"created_at": "2022-09-04T14:36:05.026653Z",
"updated_at": "2022-09-04T14:36:05.026679Z",
"structure_string": "Pb4 S4\n1.0\n0.000000 4.233305 -0.000000\n0.000000 -0.000000 4.233195\n11.975915 0.000000 0.000000\nPb S\n4 4\ndirect\n0.250000 0.250047 0.624985 Pb\n0.250000 0.249953 0.124985 Pb\n0.750001 0.749952 0.375015 Pb\n0.750001 0.750046 0.875015 Pb\n0.250000 0.250047 0.875021 S\n0.250000 0.249953 0.375022 S\n0.750001 0.749952 0.124979 S\n0.750001 0.750046 0.624980 S\n",
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"nelements": 2,
"elements": [
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"S"
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"density": 7.405113576827716,
"density_atomic": 0.03727635577193032,
"volume": 214.61325374580005,
"volume_molar": 16.155390287735063,
"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3970554099999999,
"spacegroup": 225
},
{
"id": "jvasp-91659",
"created_at": "2022-09-04T14:36:03.327050Z",
"updated_at": "2022-09-04T14:36:03.327077Z",
"structure_string": "Pb4 S4\n1.0\n4.001788 0.000000 0.000000\n0.000000 4.809970 6.248092\n0.000000 -4.809970 6.248092\nPb S\n4 4\ndirect\n0.000000 0.250864 0.704665 Pb\n0.000000 0.704665 0.250864 Pb\n0.500000 0.216961 0.216961 Pb\n0.000000 0.738208 0.738208 Pb\n0.500000 0.033746 0.607285 S\n0.500000 0.607285 0.033746 S\n0.000000 0.355716 0.355716 S\n0.500000 0.567554 0.567554 S\n",
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"elements": [
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"density": 6.607153646874759,
"density_atomic": 0.03325953173107428,
"volume": 240.53255062895622,
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"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.5125354099999999,
"spacegroup": 38
},
{
"id": "jvasp-90740",
"created_at": "2022-09-04T14:35:47.288787Z",
"updated_at": "2022-09-04T14:35:47.288816Z",
"structure_string": "Pb4 S4\n1.0\n0.000000 4.233324 0.000000\n0.000000 0.000000 5.987537\n8.467369 0.000000 0.000000\nPb S\n4 4\ndirect\n0.749999 0.749989 0.124995 Pb\n0.749999 0.750012 0.624995 Pb\n0.250000 0.250012 0.875005 Pb\n0.250000 0.249988 0.375005 Pb\n0.250000 0.750015 0.874967 S\n0.250000 0.749986 0.374967 S\n0.749999 0.249986 0.125033 S\n0.749999 0.250014 0.625033 S\n",
"nsites": 8,
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"density": 7.404744156192726,
"density_atomic": 0.03727449615764128,
"volume": 214.623960741586,
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"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3970454099999998,
"spacegroup": 225
},
{
"id": "jvasp-90722",
"created_at": "2022-09-04T14:35:46.839091Z",
"updated_at": "2022-09-04T14:35:46.839107Z",
"structure_string": "Pb4 S4\n1.0\n0.000000 -4.025132 0.000000\n-5.923085 0.000000 0.085413\n-0.830947 0.000000 -10.014820\nPb S\n4 4\ndirect\n0.250000 0.262662 0.386577 Pb\n0.750000 0.737340 0.613423 Pb\n0.250000 0.734782 0.100784 Pb\n0.750000 0.265219 0.899216 Pb\n0.250000 0.242338 0.092014 S\n0.750000 0.757663 0.907986 S\n0.750000 0.570052 0.341988 S\n0.250000 0.429949 0.658012 S\n",
"nsites": 8,
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"elements": [
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"formula_full": "Pb4 S4",
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"energy_above_hull": 0.4541954099999999,
"spacegroup": 11
},
{
"id": "jvasp-35680",
"created_at": "2022-09-04T14:37:32.710692Z",
"updated_at": "2022-09-04T14:37:32.710708Z",
"structure_string": "Pb2 S2\n1.0\n2.062270 -3.571957 -0.000000\n2.062270 3.571957 0.000000\n0.000000 0.000000 7.369616\nPb S\n2 2\ndirect\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n",
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"elements": [
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"volume": 108.57419074869107,
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"formula_full": "Pb2 S2",
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"energy_above_hull": 0.4295904099999998,
"spacegroup": 194
}
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}