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{
"id": "jvasp-23",
"created_at": "2022-09-04T14:38:05.049209Z",
"updated_at": "2022-09-04T14:38:05.049225Z",
"structure_string": "Cd1 Te1\n1.0\n4.031380 -0.000000 2.327519\n1.343793 3.800821 2.327519\n-0.000000 -0.000000 4.655036\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Te\n",
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"formula_full": "Cd1 Te1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.2668792555555556,
"spacegroup": 216
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{
"id": "jvasp-14530",
"created_at": "2022-09-04T14:38:12.689163Z",
"updated_at": "2022-09-04T14:38:12.689198Z",
"structure_string": "Cd1 Te1\n1.0\n3.744418 -0.000000 2.161841\n1.248140 3.530272 2.161841\n-0.000000 -0.000000 4.323682\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.499999 Te\n",
"nsites": 2,
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"formula_full": "Cd1 Te1",
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"spacegroup": 225
},
{
"id": "jvasp-16779",
"created_at": "2022-09-04T14:37:48.482785Z",
"updated_at": "2022-09-04T14:37:48.482815Z",
"structure_string": "Cd1 Te1\n1.0\n3.084659 0.000000 0.000000\n0.000000 3.086625 0.000000\n0.000000 0.000000 6.400717\nCd Te\n1 1\ndirect\n0.000000 0.124951 0.500000 Cd\n0.000000 0.125049 0.000000 Te\n",
"nsites": 2,
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"elements": [
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"density": 6.539741583561764,
"density_atomic": 0.03281786615100495,
"volume": 60.94241443966507,
"volume_molar": 18.35018990049598,
"formula_full": "Cd1 Te1",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.4761292555555556,
"spacegroup": 123
},
{
"id": "jvasp-7757",
"created_at": "2022-09-04T14:36:58.298420Z",
"updated_at": "2022-09-04T14:36:58.298445Z",
"structure_string": "Cd2 Te2\n1.0\n2.321890 -4.021631 0.000000\n2.321890 4.021631 0.000000\n0.000000 0.000000 7.640303\nCd Te\n2 2\ndirect\n0.333333 0.666667 0.000708 Cd\n0.666667 0.333333 0.500708 Cd\n0.333333 0.666667 0.374292 Te\n0.666667 0.333333 0.874291 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 5.586319883915994,
"density_atomic": 0.02803338570561749,
"volume": 142.68701048116557,
"volume_molar": 21.48203154352936,
"formula_full": "Cd2 Te2",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2692842555555557,
"spacegroup": 186
},
{
"id": "jvasp-79598",
"created_at": "2022-09-04T14:37:17.397203Z",
"updated_at": "2022-09-04T14:37:17.397225Z",
"structure_string": "Cd2 Te2\n1.0\n-3.056842 -3.056918 -0.000000\n-3.056842 3.056918 0.000000\n0.000000 -0.000000 -6.112424\nCd Te\n2 2\ndirect\n0.250268 0.749732 0.749999 Cd\n0.749732 0.250268 0.250000 Cd\n0.750179 0.249821 0.749999 Te\n0.249821 0.750179 0.250000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 6.977663001873565,
"density_atomic": 0.03501545244813623,
"volume": 114.23527957905648,
"volume_molar": 17.198523334575796,
"formula_full": "Cd2 Te2",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.3257942555555556,
"spacegroup": 225
},
{
"id": "jvasp-22685",
"created_at": "2022-09-04T14:36:56.749173Z",
"updated_at": "2022-09-04T14:36:56.749205Z",
"structure_string": "Cd2 Te2\n1.0\n4.485719 1.202176 0.000000\n1.202176 4.485719 0.000000\n0.000000 0.000000 7.640479\nCd Te\n2 2\ndirect\n0.833404 0.833404 -0.000697 Cd\n0.166597 0.166597 0.499303 Cd\n0.166727 0.166727 0.125697 Te\n0.833274 0.833274 0.625697 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 5.585928527149409,
"density_atomic": 0.02803142179101643,
"volume": 142.6970073020673,
"volume_molar": 21.48353660009493,
"formula_full": "Cd2 Te2",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2692892555555556,
"spacegroup": 186
},
{
"id": "jvasp-114767",
"created_at": "2022-09-04T14:38:42.617327Z",
"updated_at": "2022-09-04T14:38:42.617349Z",
"structure_string": "Cd2 Te1\n1.0\n4.532320 0.000000 0.000000\n0.000000 3.063937 0.000000\n0.000000 0.000000 7.001715\nCd Te\n2 1\ndirect\n-0.033314 0.000000 0.701429 Cd\n-0.033314 0.000000 0.298571 Cd\n0.466628 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Te"
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"chemical_system": "Cd-Te",
"density": 6.018763567133466,
"density_atomic": 0.030854351954443734,
"volume": 97.2310163710287,
"volume_molar": 19.51796222747331,
"formula_full": "Cd2 Te1",
"formula_reduced": "Cd2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2138297518518518,
"spacegroup": 47
},
{
"id": "jvasp-114768",
"created_at": "2022-09-04T14:38:41.959738Z",
"updated_at": "2022-09-04T14:38:41.959773Z",
"structure_string": "Cd1 Te2\n1.0\n6.424627 0.255181 0.353313\n-2.350188 -2.102125 0.129194\n0.289182 -0.689679 -7.715694\nCd Te\n1 2\ndirect\n0.053061 0.079219 0.970953 Cd\n0.533679 0.312048 0.198216 Te\n0.113321 0.132276 0.618065 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
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],
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"density": 6.047151437986364,
"density_atomic": 0.02971902133165914,
"volume": 100.94545060957824,
"volume_molar": 20.26359042175027,
"formula_full": "Cd1 Te2",
"formula_reduced": "CdTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4949487592592594,
"spacegroup": 1
},
{
"id": "jvasp-110765",
"created_at": "2022-09-04T14:38:37.388921Z",
"updated_at": "2022-09-04T14:38:37.388946Z",
"structure_string": "Cd3 Te1\n1.0\n4.450609 0.645557 -5.386697\n-0.091715 4.496249 -5.386697\n-0.547262 -0.645557 6.965984\nCd Te\n3 1\ndirect\n0.750001 0.250000 0.500000 Cd\n0.250001 0.750000 0.500000 Cd\n0.500001 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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"Te"
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"chemical_system": "Cd-Te",
"density": 6.851236274928199,
"density_atomic": 0.03550445793813601,
"volume": 112.66190873748066,
"volume_molar": 16.96164681768456,
"formula_full": "Cd3 Te1",
"formula_reduced": "Cd3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-7803",
"created_at": "2022-09-04T14:36:30.917780Z",
"updated_at": "2022-09-04T14:36:30.917804Z",
"structure_string": "Cd3 Te3\n1.0\n2.284601 -3.957046 -0.000000\n2.284601 3.957046 0.000000\n0.000000 0.000000 10.489469\nCd Te\n3 3\ndirect\n-0.000000 0.446728 0.666667 Cd\n0.446728 -0.000000 0.333333 Cd\n0.553272 0.553272 -0.000000 Cd\n-0.000000 0.474821 0.166667 Te\n0.474821 -0.000000 0.833333 Te\n0.525179 0.525179 0.500000 Te\n",
"nsites": 6,
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"elements": [
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"Te"
],
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"density": 6.304295153387785,
"density_atomic": 0.03163634401707176,
"volume": 189.65529002852702,
"volume_molar": 19.03551420717357,
"formula_full": "Cd3 Te3",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.3028542555555557,
"spacegroup": 152
},
{
"id": "jvasp-110769",
"created_at": "2022-09-04T14:38:38.155774Z",
"updated_at": "2022-09-04T14:38:38.155798Z",
"structure_string": "Cd2 Sn6\n1.0\n6.677100 0.000000 0.000000\n-3.338550 5.782538 0.000000\n-0.000000 -0.000000 5.611175\nCd Sn\n2 6\ndirect\n0.333333 0.666667 0.749999 Cd\n0.666667 0.333333 0.250000 Cd\n0.167017 0.334035 0.250000 Sn\n0.665965 0.832983 0.250000 Sn\n0.167017 0.832983 0.250000 Sn\n0.832983 0.665965 0.749999 Sn\n0.334035 0.167017 0.749999 Sn\n0.832983 0.167017 0.749999 Sn\n",
"nsites": 8,
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"elements": [
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"density": 7.182348991133332,
"density_atomic": 0.036925790167346095,
"volume": 216.65074636844176,
"volume_molar": 16.308766129872687,
"formula_full": "Cd2 Sn6",
"formula_reduced": "CdSn3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-122552",
"created_at": "2022-09-04T14:38:53.610649Z",
"updated_at": "2022-09-04T14:38:53.610664Z",
"structure_string": "Cd1 Sn7\n1.0\n6.619804 0.000000 -0.000000\n0.000000 6.619804 -0.000000\n-0.000000 0.000000 6.619804\nCd Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Cd\n0.247386 0.247386 0.747386 Sn\n0.000000 0.500000 0.000000 Sn\n0.247386 0.752613 0.252613 Sn\n0.500000 0.000000 0.000000 Sn\n0.752613 0.247386 0.252613 Sn\n0.500000 0.500000 0.500000 Sn\n0.752613 0.752613 0.747386 Sn\n",
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"elements": [
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"volume": 290.0917600157343,
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"formula_full": "Cd1 Sn7",
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"formula_anonymous": "AB7",
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"spacegroup": 215
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]
}