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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1515",
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"results": [
{
"id": "jvasp-118378",
"created_at": "2022-09-04T14:38:49.574329Z",
"updated_at": "2022-09-04T14:38:49.574350Z",
"structure_string": "Mn1 Ga1 O4\n1.0\n-1.829802 1.829802 4.887036\n1.829802 -1.829802 4.887036\n1.829802 1.829802 -4.887036\nMn Ga O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Ga\n0.966482 0.466482 0.500000 O\n0.808740 0.808740 0.000000 O\n0.533518 0.033518 0.500000 O\n0.191261 0.191261 0.000000 O\n",
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"elements": [
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],
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"formula_full": "Mn1 Ga1 O4",
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"formula_anonymous": "ABC4",
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"spacegroup": 119
},
{
"id": "jvasp-102434",
"created_at": "2022-09-04T14:36:40.179972Z",
"updated_at": "2022-09-04T14:36:40.179997Z",
"structure_string": "Mn2 Ga2 O6\n1.0\n3.223924 0.000000 0.000000\n-1.611962 2.792000 0.000000\n-0.000000 -0.000000 11.808913\nMn Ga O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.750000 Ga\n0.666666 0.333333 0.250000 Ga\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.333333 0.666667 0.578903 O\n0.333333 0.666667 0.921097 O\n0.666666 0.333333 0.421097 O\n0.666666 0.333333 0.078903 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ga-Mn-O",
"density": 5.394594414098751,
"density_atomic": 0.0940783880875861,
"volume": 106.29433819263669,
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"formula_full": "Mn2 Ga2 O6",
"formula_reduced": "MnGaO3",
"formula_anonymous": "ABC3",
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"spacegroup": 194
},
{
"id": "jvasp-79277",
"created_at": "2022-09-04T14:36:44.843968Z",
"updated_at": "2022-09-04T14:36:44.843986Z",
"structure_string": "Mn1 Ga1 Ni2\n1.0\n3.390713 -0.000000 -1.714215\n-0.866641 3.278089 -1.714215\n0.040623 0.052759 4.290871\nMn Ga Ni\n1 1 2\ndirect\n0.500000 0.500000 -0.000001 Mn\n0.000000 0.000000 0.000000 Ga\n0.250000 0.750000 0.499999 Ni\n0.749999 0.250000 0.499998 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
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],
"chemical_system": "Ga-Mn-Ni",
"density": 8.320393928821895,
"density_atomic": 0.08280442808376276,
"volume": 48.30659534238563,
"volume_molar": 7.272727919705166,
"formula_full": "Mn1 Ga1 Ni2",
"formula_reduced": "MnGaNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4043360915948275,
"spacegroup": 139
},
{
"id": "jvasp-79508",
"created_at": "2022-09-04T14:37:14.358104Z",
"updated_at": "2022-09-04T14:37:14.358132Z",
"structure_string": "Mn1 Ga1 Ni2\n1.0\n-4.089909 0.000000 -0.000000\n-2.044955 -2.898606 -2.045036\n-2.044955 -2.898606 2.045036\nMn Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499998 0.500001 0.500001 Ga\n0.750026 0.749972 0.749972 Ni\n0.249970 0.250029 0.250029 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Ni"
],
"chemical_system": "Ga-Mn-Ni",
"density": 8.2892747118446,
"density_atomic": 0.0824947301312063,
"volume": 48.48794575893607,
"volume_molar": 7.300030863088952,
"formula_full": "Mn1 Ga1 Ni2",
"formula_reduced": "MnGaNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4063860915948276,
"spacegroup": 225
},
{
"id": "jvasp-110100",
"created_at": "2022-09-04T14:38:20.695795Z",
"updated_at": "2022-09-04T14:38:20.695815Z",
"structure_string": "Mn1 Ga2 Ni1\n1.0\n3.563287 -0.000000 2.057265\n1.187762 3.359499 2.057265\n-0.000000 -0.000000 4.114530\nMn Ga Ni\n1 2 1\ndirect\n0.500000 0.500000 0.499999 Mn\n0.250000 0.250000 0.249999 Ga\n0.750000 0.750000 0.749998 Ga\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
"Ni"
],
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"density": 8.532120609613477,
"density_atomic": 0.08121092151874025,
"volume": 49.25445894708828,
"volume_molar": 7.415432120925176,
"formula_full": "Mn1 Ga2 Ni1",
"formula_reduced": "MnGa2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0691935728448274,
"spacegroup": 225
},
{
"id": "jvasp-109633",
"created_at": "2022-09-04T14:38:26.841178Z",
"updated_at": "2022-09-04T14:38:26.841209Z",
"structure_string": "Mn2 Ga1 Ni1\n1.0\n3.487388 -0.000000 2.013444\n1.162463 3.287941 2.013444\n-0.000000 -0.000000 4.026889\nMn Ga Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.749999 Mn\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
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],
"chemical_system": "Ga-Mn-Ni",
"density": 8.569697845916863,
"density_atomic": 0.08662954794188393,
"volume": 46.17362199192623,
"volume_molar": 6.951601275860284,
"formula_full": "Mn2 Ga1 Ni1",
"formula_reduced": "Mn2GaNi",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-17637",
"created_at": "2022-09-04T14:38:29.396117Z",
"updated_at": "2022-09-04T14:38:29.396146Z",
"structure_string": "Mn1 Ga1 Ni2\n1.0\n3.544574 0.000000 2.046460\n1.181525 3.341856 2.046460\n0.000000 0.000000 4.092921\nMn Ga Ni\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n0.249999 0.250000 0.250000 Ni\n0.749998 0.750001 0.750000 Ni\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.290203205189956,
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"volume": 48.482515164069724,
"volume_molar": 7.2992132679215596,
"formula_full": "Mn1 Ga1 Ni2",
"formula_reduced": "MnGaNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4064560915948277,
"spacegroup": 225
},
{
"id": "jvasp-108103",
"created_at": "2022-09-04T14:38:18.693676Z",
"updated_at": "2022-09-04T14:38:18.693704Z",
"structure_string": "Mn2 Ga1 Ni1\n1.0\n3.425783 -0.000000 1.655447\n-0.799964 3.331073 1.655447\n0.000000 0.000000 4.372384\nMn Ga Ni\n2 1 1\ndirect\n0.500000 0.500000 0.000001 Mn\n0.750000 0.250000 0.500001 Mn\n0.000000 0.000000 0.000000 Ga\n0.250001 0.749999 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
"Ni"
],
"chemical_system": "Ga-Mn-Ni",
"density": 7.930437672597166,
"density_atomic": 0.08016738080044596,
"volume": 49.89560542032513,
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"formula_full": "Mn2 Ga1 Ni1",
"formula_reduced": "Mn2GaNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.229019801939655,
"spacegroup": 119
},
{
"id": "jvasp-79619",
"created_at": "2022-09-04T14:37:12.753073Z",
"updated_at": "2022-09-04T14:37:12.753092Z",
"structure_string": "Mn1 Ga1 Ni2\n1.0\n3.771804 -0.000000 0.000000\n0.000000 3.771804 -0.000000\n-0.000000 -0.000000 3.431730\nMn Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.000000 Ga\n0.499999 0.000000 0.500000 Ni\n0.000000 0.499999 0.500000 Ni\n",
"nsites": 4,
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"elements": [
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"Ni"
],
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"density": 8.23263712272959,
"density_atomic": 0.08193107374488234,
"volume": 48.82152542581382,
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"formula_full": "Mn1 Ga1 Ni2",
"formula_reduced": "MnGaNi2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-111802",
"created_at": "2022-09-04T14:38:41.906559Z",
"updated_at": "2022-09-04T14:38:41.906586Z",
"structure_string": "Mn1 Ga2 Ni9\n1.0\n3.583934 0.000000 -0.000000\n0.000000 3.583934 -0.000000\n-0.000000 -0.000000 10.646347\nMn Ga Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000005 Mn\n0.000000 0.000000 0.333469 Ga\n0.000000 0.000000 0.666542 Ga\n0.499999 0.499999 0.000005 Ni\n0.499999 0.499999 0.332054 Ni\n0.499999 0.499999 0.667957 Ni\n0.499999 0.000000 0.164518 Ni\n0.499999 0.000000 0.500006 Ni\n0.499999 0.000000 0.835492 Ni\n0.000000 0.499999 0.164518 Ni\n0.000000 0.499999 0.500006 Ni\n0.000000 0.499999 0.835492 Ni\n",
"nsites": 12,
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"elements": [
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],
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"density": 8.774881145218389,
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"volume": 136.74788679779797,
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"formula_full": "Mn1 Ga2 Ni9",
"formula_reduced": "MnGa2Ni9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 1.2724477909482763,
"spacegroup": 123
},
{
"id": "jvasp-105823",
"created_at": "2022-09-04T14:35:57.583928Z",
"updated_at": "2022-09-04T14:35:57.583949Z",
"structure_string": "Mn2 Nb1 Ga1\n1.0\n3.671896 0.000000 2.119970\n1.223965 3.461896 2.119970\n0.000000 0.000000 4.239940\nMn Nb Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.499999 Mn\n0.750001 0.750000 0.749998 Nb\n0.250000 0.249999 0.249999 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.39576399112432,
"density_atomic": 0.07421571766579607,
"volume": 53.896938893895346,
"volume_molar": 8.114373813803912,
"formula_full": "Mn2 Nb1 Ga1",
"formula_reduced": "Mn2NbGa",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-51043",
"created_at": "2022-09-04T14:36:06.814758Z",
"updated_at": "2022-09-04T14:36:06.814778Z",
"structure_string": "Mn3 Ga1 N1\n1.0\n3.774850 0.000035 -0.000005\n0.000031 3.774887 0.000014\n-0.000004 0.000015 3.774974\nMn Ga N\n3 1 1\ndirect\n0.500005 0.499983 0.000002 Mn\n0.499982 -0.000002 0.499997 Mn\n0.000015 0.500024 0.499997 Mn\n-0.000008 0.000013 0.999998 Ga\n0.500009 0.499989 0.500002 N\n",
"nsites": 5,
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"elements": [
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],
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"volume": 53.79199102921019,
"volume_molar": 6.478858834771221,
"formula_full": "Mn3 Ga1 N1",
"formula_reduced": "Mn3GaN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.648393459827585,
"spacegroup": 221
}
]
}