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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3864",
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"results": [
{
"id": "jvasp-2997",
"created_at": "2022-09-04T14:36:57.038322Z",
"updated_at": "2022-09-04T14:36:57.038354Z",
"structure_string": "Sr1 Mg2 Sb2\n1.0\n2.363196 -4.093175 0.000000\n2.363196 4.093175 0.000000\n0.000000 0.000000 7.834092\nSr Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.371677 Mg\n0.333334 0.666668 0.628322 Mg\n0.333334 0.666668 0.255519 Sb\n0.666668 0.333334 0.744481 Sb\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Mg-Sb-Sr",
"density": 4.160716844982006,
"density_atomic": 0.03299068138465267,
"volume": 151.55794879477722,
"volume_molar": 18.254066018780414,
"formula_full": "Sr1 Mg2 Sb2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
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{
"id": "jvasp-93206",
"created_at": "2022-09-04T14:36:17.259411Z",
"updated_at": "2022-09-04T14:36:17.259437Z",
"structure_string": "Mg6 Ti1 Sb1\n1.0\n6.257049 0.074857 0.000000\n-3.063696 5.456191 0.000000\n0.000000 0.000000 5.069607\nMg Ti Sb\n6 1 1\ndirect\n0.162213 0.820657 0.250000 Mg\n0.679343 0.337787 0.250000 Mg\n0.664976 0.835024 0.250000 Mg\n0.330486 0.663471 0.750001 Mg\n0.836529 0.169514 0.750001 Mg\n0.831232 0.668768 0.750001 Mg\n0.170842 0.329158 0.250000 Ti\n0.324378 0.175622 0.750001 Sb\n",
"nsites": 8,
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"elements": [
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"Ti",
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],
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"density": 3.0064096598118035,
"density_atomic": 0.04591439634528219,
"volume": 174.23729019192515,
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"formula_full": "Mg6 Ti1 Sb1",
"formula_reduced": "Mg6TiSb",
"formula_anonymous": "ABC6",
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},
{
"id": "jvasp-94043",
"created_at": "2022-09-04T14:35:49.330364Z",
"updated_at": "2022-09-04T14:35:49.330390Z",
"structure_string": "Mg6 V1 Sb1\n1.0\n6.278107 0.093788 0.000000\n-3.057831 5.296318 0.000000\n0.000000 0.000000 5.143382\nMg V Sb\n6 1 1\ndirect\n0.665834 0.330791 0.250000 Mg\n0.665834 0.835042 0.250000 Mg\n0.335945 0.177812 0.750000 Mg\n0.335945 0.658134 0.750000 Mg\n0.843854 0.171927 0.750000 Mg\n0.824833 0.662417 0.750000 Mg\n0.166468 0.333234 0.250000 V\n0.161293 0.830646 0.250000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"V",
"Sb"
],
"chemical_system": "Mg-Sb-V",
"density": 3.0663393646115074,
"density_atomic": 0.046377648120831734,
"volume": 172.49688856918536,
"volume_molar": 12.985006795320865,
"formula_full": "Mg6 V1 Sb1",
"formula_reduced": "Mg6VSb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.135059325,
"spacegroup": 38
},
{
"id": "jvasp-92915",
"created_at": "2022-09-04T14:35:40.979453Z",
"updated_at": "2022-09-04T14:35:40.979485Z",
"structure_string": "Mg6 Sb1 W1\n1.0\n6.145745 0.087226 0.000000\n-2.997332 5.191531 0.000000\n0.000000 0.000000 5.096729\nMg Sb W\n6 1 1\ndirect\n0.664444 0.329500 0.250000 Mg\n0.664444 0.834945 0.250000 Mg\n0.331634 0.179557 0.750000 Mg\n0.331634 0.652078 0.750000 Mg\n0.854145 0.177073 0.750000 Mg\n0.826408 0.663205 0.750000 Mg\n0.157168 0.828584 0.250000 Sb\n0.170127 0.335063 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"W"
],
"chemical_system": "Mg-Sb-W",
"density": 4.572289861512728,
"density_atomic": 0.0487960005335331,
"volume": 163.94786278646586,
"volume_molar": 12.341463837515791,
"formula_full": "Mg6 Sb1 W1",
"formula_reduced": "Mg6SbW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6697663,
"spacegroup": 38
},
{
"id": "jvasp-92918",
"created_at": "2022-09-04T14:35:48.415040Z",
"updated_at": "2022-09-04T14:35:48.415066Z",
"structure_string": "Mg6 Sb1 W1\n1.0\n6.081450 0.063744 0.000000\n-2.985522 5.298561 0.000000\n0.000000 0.000000 5.020053\nMg Sb W\n6 1 1\ndirect\n0.162085 0.823676 0.250000 Mg\n0.676324 0.337915 0.250000 Mg\n0.666094 0.833905 0.250000 Mg\n0.324434 0.652768 0.750000 Mg\n0.847231 0.175566 0.750000 Mg\n0.832158 0.667841 0.750000 Mg\n0.324978 0.175022 0.750000 Sb\n0.166697 0.333303 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"W"
],
"chemical_system": "Mg-Sb-W",
"density": 4.606899394638751,
"density_atomic": 0.049165357430850196,
"volume": 162.7161972991205,
"volume_molar": 12.248748050840444,
"formula_full": "Mg6 Sb1 W1",
"formula_reduced": "Mg6SbW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6628938,
"spacegroup": 38
},
{
"id": "jvasp-3141",
"created_at": "2022-09-04T14:36:20.605993Z",
"updated_at": "2022-09-04T14:36:20.606019Z",
"structure_string": "Yb1 Mg2 Sb2\n1.0\n2.324795 -4.026665 0.000000\n2.324795 4.026665 0.000000\n0.000000 0.000000 7.505258\nYb Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333334 0.666668 0.367891 Mg\n0.666668 0.333334 0.632109 Mg\n0.333334 0.666668 0.758703 Sb\n0.666668 0.333334 0.241298 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb-Yb",
"density": 5.4971173879608095,
"density_atomic": 0.03558313594598072,
"volume": 140.51600195077165,
"volume_molar": 16.92414285559963,
"formula_full": "Yb1 Mg2 Sb2",
"formula_reduced": "Yb(MgSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-109344",
"created_at": "2022-09-04T14:38:18.942766Z",
"updated_at": "2022-09-04T14:38:18.942793Z",
"structure_string": "Mg1 Zn2 Sb2\n1.0\n4.369976 0.000000 0.000000\n-2.184989 3.784510 0.000000\n-0.000000 -0.000000 7.302341\nMg Zn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.617829 Zn\n0.666667 0.333333 0.382170 Zn\n0.333333 0.666667 0.234033 Sb\n0.666667 0.333333 0.765967 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Sb"
],
"chemical_system": "Mg-Sb-Zn",
"density": 5.481285475103207,
"density_atomic": 0.04140179645475051,
"volume": 120.7677064318858,
"volume_molar": 14.545602547903473,
"formula_full": "Mg1 Zn2 Sb2",
"formula_reduced": "Mg(ZnSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-109564",
"created_at": "2022-09-04T14:38:27.914616Z",
"updated_at": "2022-09-04T14:38:27.914647Z",
"structure_string": "Mg4 Sc2\n1.0\n5.916812 0.011040 1.546102\n5.054756 3.075423 1.546102\n-0.025598 -0.007201 7.604390\nMg Sc\n4 2\ndirect\n0.029220 0.029220 0.693960 Mg\n0.305417 0.305417 0.642089 Mg\n0.694583 0.694582 0.357911 Mg\n0.970781 0.970779 0.306039 Mg\n0.361530 0.361530 0.026088 Sc\n0.638470 0.638470 0.973911 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.2504108890494097,
"density_atomic": 0.0434526555345573,
"volume": 138.08131922405255,
"volume_molar": 13.859085678228974,
"formula_full": "Mg4 Sc2",
"formula_reduced": "Mg2Sc",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4993783833333333,
"spacegroup": 12
},
{
"id": "jvasp-102116",
"created_at": "2022-09-04T14:36:39.782609Z",
"updated_at": "2022-09-04T14:36:39.782631Z",
"structure_string": "Mg5 Sc1\n1.0\n5.578897 0.000000 0.000000\n-2.789449 4.831467 -0.000000\n0.000000 0.000000 5.111264\nMg Sc\n5 1\ndirect\n0.000000 0.659475 0.000000 Mg\n0.333333 0.666667 0.500000 Mg\n0.659475 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.340525 0.340525 0.000000 Mg\n0.000000 0.000000 0.500000 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.00658642470558,
"density_atomic": 0.04355074376643767,
"volume": 137.7703221827383,
"volume_molar": 13.82787121225001,
"formula_full": "Mg5 Sc1",
"formula_reduced": "Mg5Sc",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0027799999999999,
"spacegroup": 189
},
{
"id": "jvasp-20107",
"created_at": "2022-09-04T14:36:38.625687Z",
"updated_at": "2022-09-04T14:36:38.625713Z",
"structure_string": "Mg1 Sc1\n1.0\n3.573671 -0.000000 0.000000\n-0.000000 3.573671 -0.000000\n0.000000 -0.000000 3.573671\nMg Sc\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sc\n",
"nsites": 2,
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"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.5199597240931637,
"density_atomic": 0.04382140441137751,
"volume": 45.63979696371239,
"volume_molar": 13.742464078664831,
"formula_full": "Mg1 Sc1",
"formula_reduced": "MgSc",
"formula_anonymous": "AB",
"energy_above_hull": 0.7513251000000001,
"spacegroup": 221
},
{
"id": "jvasp-100208",
"created_at": "2022-09-04T14:36:40.029008Z",
"updated_at": "2022-09-04T14:36:40.029021Z",
"structure_string": "Mg2 Sc2\n1.0\n3.567999 0.000000 0.000000\n0.000000 5.058239 0.000000\n0.000000 -0.000000 5.059329\nMg Sc\n2 2\ndirect\n0.500000 0.750000 0.250285 Mg\n0.500000 0.250000 0.749715 Mg\n0.000000 0.750000 0.750251 Sc\n0.000000 0.250000 0.249749 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Sc",
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"density_atomic": 0.04380694825821315,
"volume": 91.30971590220416,
"volume_molar": 13.746999047967096,
"formula_full": "Mg2 Sc2",
"formula_reduced": "MgSc",
"formula_anonymous": "AB",
"energy_above_hull": 0.7508801,
"spacegroup": 221
},
{
"id": "jvasp-110827",
"created_at": "2022-09-04T14:38:37.457706Z",
"updated_at": "2022-09-04T14:38:37.457723Z",
"structure_string": "Mg1 Sc3\n1.0\n3.233343 0.000000 0.000000\n-1.616672 2.800157 0.000000\n-0.000000 -0.000000 10.545267\nMg Sc\n1 3\ndirect\n0.333334 0.666667 0.500000 Mg\n0.666666 0.333334 0.757711 Sc\n0.333334 0.666667 -0.000000 Sc\n0.666666 0.333334 0.242289 Sc\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.768382137822476,
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"volume": 95.47545581026911,
"volume_molar": 14.37416585036501,
"formula_full": "Mg1 Sc3",
"formula_reduced": "MgSc3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.832937675,
"spacegroup": 187
}
]
}