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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=981",
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"results": [
{
"id": "jvasp-22546",
"created_at": "2022-09-04T14:37:28.948175Z",
"updated_at": "2022-09-04T14:37:28.948209Z",
"structure_string": "Li1 Mg1 N1\n1.0\n3.518176 0.000000 0.000000\n1.759088 3.046830 0.000000\n1.759088 1.015610 2.872579\nLi Mg N\n1 1 1\ndirect\n0.750002 0.750000 0.750000 Li\n0.250001 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
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"elements": [
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"volume": 30.79199063647518,
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"formula_full": "Li1 Mg1 N1",
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},
{
"id": "jvasp-31185",
"created_at": "2022-09-04T14:38:16.676868Z",
"updated_at": "2022-09-04T14:38:16.676898Z",
"structure_string": "Li1 Mg1 N1\n1.0\n3.518176 0.000000 0.000000\n1.759088 3.046830 0.000000\n1.759088 1.015610 2.872579\nLi Mg N\n1 1 1\ndirect\n0.750002 0.750000 0.750000 Li\n0.250001 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
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"volume": 30.79199063647518,
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"formula_full": "Li1 Mg1 N1",
"formula_reduced": "LiMgN",
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"spacegroup": 216
},
{
"id": "jvasp-93188",
"created_at": "2022-09-04T14:36:14.812791Z",
"updated_at": "2022-09-04T14:36:14.812809Z",
"structure_string": "Li1 Mg6 Mo1\n1.0\n5.863152 -1.571302 0.000000\n-4.292363 7.434593 0.000000\n0.000000 0.000000 4.332612\nLi Mg Mo\n1 6 1\ndirect\n0.250105 0.375052 0.250000 Li\n0.750010 0.374979 0.250000 Mg\n0.750010 0.875030 0.250000 Mg\n0.249972 0.112689 0.750000 Mg\n0.249972 0.637286 0.750000 Mg\n0.725409 0.112704 0.750000 Mg\n0.774558 0.637280 0.750000 Mg\n0.249962 0.874981 0.250000 Mo\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Li-Mg-Mo",
"density": 2.587076352518703,
"density_atomic": 0.05011354691065223,
"volume": 159.63747316196262,
"volume_molar": 12.016991674400765,
"formula_full": "Li1 Mg6 Mo1",
"formula_reduced": "LiMg6Mo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2462337749999999,
"spacegroup": 123
},
{
"id": "jvasp-96563",
"created_at": "2022-09-04T14:35:56.733253Z",
"updated_at": "2022-09-04T14:35:56.733270Z",
"structure_string": "Li8 Mg4 Mn12 O32\n1.0\n8.211596 -0.000000 0.000000\n0.000000 8.211596 0.000000\n-0.000000 -0.000000 8.211596\nLi Mg Mn O\n8 4 12 32\ndirect\n0.497337 0.997337 0.502664 Li\n0.247337 0.247337 0.247337 Li\n0.252664 0.752664 0.747337 Li\n0.747337 0.252664 0.752664 Li\n0.997337 0.502664 0.497337 Li\n0.752664 0.747337 0.252664 Li\n0.502664 0.497337 0.997337 Li\n0.002663 0.002663 0.002663 Li\n0.625000 0.625000 0.625000 Mg\n0.875000 0.375000 0.125000 Mg\n0.375000 0.125000 0.875000 Mg\n0.125000 0.875000 0.375000 Mg\n0.120188 0.129812 0.625000 Mn\n0.870189 0.125000 0.379812 Mn\n0.370188 0.375000 0.620189 Mn\n0.129812 0.625000 0.120188 Mn\n0.875000 0.879812 0.629812 Mn\n0.625000 0.120188 0.129812 Mn\n0.379812 0.870189 0.125000 Mn\n0.620189 0.370188 0.375000 Mn\n0.629812 0.875000 0.879812 Mn\n0.375000 0.620189 0.370188 Mn\n0.125000 0.379812 0.870189 Mn\n0.879812 0.629812 0.875000 Mn\n0.616175 0.883826 0.116175 O\n0.357918 0.376065 0.849372 O\n0.876066 0.650629 0.642083 O\n0.623935 0.349372 0.142083 O\n0.633825 0.133825 0.366175 O\n0.849372 0.357918 0.376065 O\n0.373935 0.607918 0.599372 O\n0.116175 0.616175 0.883826 O\n0.107918 0.900629 0.626065 O\n0.349372 0.142083 0.623935 O\n0.133825 0.366175 0.633825 O\n0.642083 0.876066 0.650629 O\n0.650629 0.642083 0.876066 O\n0.883826 0.116175 0.616175 O\n0.142083 0.623935 0.349372 O\n0.626065 0.107918 0.900629 O\n0.857918 0.123935 0.150628 O\n0.900629 0.626065 0.107918 O\n0.376065 0.849372 0.357918 O\n0.383825 0.383825 0.383825 O\n0.599372 0.373935 0.607918 O\n0.400629 0.873935 0.892083 O\n0.873935 0.892083 0.400629 O\n0.150628 0.857918 0.123935 O\n0.366175 0.633825 0.133825 O\n0.099372 0.126065 0.392083 O\n0.866175 0.866175 0.866175 O\n0.392083 0.099372 0.126065 O\n0.607918 0.599372 0.373935 O\n0.126065 0.392083 0.099372 O\n0.892083 0.400629 0.873935 O\n0.123935 0.150628 0.857918 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Mn",
"O"
],
"chemical_system": "Li-Mg-Mn-O",
"density": 3.9705397695116953,
"density_atomic": 0.10113589067630249,
"volume": 553.7104545727955,
"volume_molar": 5.954504103073143,
"formula_full": "Li8 Mg4 Mn12 O32",
"formula_reduced": "Li2MgMn3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.714900626724138,
"spacegroup": 212
},
{
"id": "jvasp-119538",
"created_at": "2022-09-04T14:38:48.623059Z",
"updated_at": "2022-09-04T14:38:48.623076Z",
"structure_string": "Li2 Mg1 Mn3 O8\n1.0\n5.014795 0.004081 3.052660\n1.717556 4.711488 3.052669\n0.005875 0.004104 5.870840\nLi Mg Mn O\n2 1 3 8\ndirect\n0.116894 0.116895 0.116895 Li\n0.883106 0.883105 0.883105 Li\n0.500001 0.500000 0.499999 Mg\n0.500001 0.499999 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.499999 0.500001 Mn\n0.262609 0.262609 0.262610 O\n0.710338 0.252745 0.252743 O\n0.252745 0.710338 0.252744 O\n0.252745 0.252744 0.710338 O\n0.747257 0.747256 0.289662 O\n0.747255 0.289663 0.747256 O\n0.289663 0.747255 0.747256 O\n0.737391 0.737390 0.737391 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Mn",
"O"
],
"chemical_system": "Li-Mg-Mn-O",
"density": 3.9671952838084197,
"density_atomic": 0.10105070136701708,
"volume": 138.544313009287,
"volume_molar": 5.9595239602816115,
"formula_full": "Li2 Mg1 Mn3 O8",
"formula_reduced": "Li2MgMn3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.715241341009852,
"spacegroup": 166
},
{
"id": "jvasp-78562",
"created_at": "2022-09-04T14:36:35.034153Z",
"updated_at": "2022-09-04T14:36:35.034172Z",
"structure_string": "Li1 Mg1\n1.0\n3.420218 -0.000000 0.000000\n-0.000000 3.420218 -0.000000\n-0.000000 -0.000000 3.420218\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.296827349695291,
"density_atomic": 0.049988330307761904,
"volume": 40.00933793320661,
"volume_molar": 12.047093237408884,
"formula_full": "Li1 Mg1",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3517428571428572,
"spacegroup": 221
},
{
"id": "jvasp-101160",
"created_at": "2022-09-04T14:36:35.946547Z",
"updated_at": "2022-09-04T14:36:35.946564Z",
"structure_string": "Li1 Mg1\n1.0\n3.011420 0.005020 0.000000\n-1.017169 2.834438 0.000000\n-0.000000 0.000000 4.845834\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.2536519382058466,
"density_atomic": 0.04832406348672748,
"volume": 41.387248002215564,
"volume_molar": 12.461991656918547,
"formula_full": "Li1 Mg1",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3441978571428571,
"spacegroup": 65
},
{
"id": "jvasp-78567",
"created_at": "2022-09-04T14:36:36.167823Z",
"updated_at": "2022-09-04T14:36:36.167842Z",
"structure_string": "Li1 Mg1\n1.0\n3.110548 -0.000000 -0.000000\n-1.555274 2.693813 -0.000000\n0.000000 0.000000 5.032195\nLi Mg\n1 1\ndirect\n0.333334 0.666666 0.000000 Li\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 2,
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"elements": [
"Li",
"Mg"
],
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"density": 1.2305002664648743,
"density_atomic": 0.047431644450040354,
"volume": 42.165942656839476,
"volume_molar": 12.696462097878785,
"formula_full": "Li1 Mg1",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3685228571428571,
"spacegroup": 187
},
{
"id": "jvasp-94346",
"created_at": "2022-09-04T14:36:07.851661Z",
"updated_at": "2022-09-04T14:36:07.851687Z",
"structure_string": "Li2 Mg4\n1.0\n5.456598 0.000000 0.000000\n-2.728300 4.725552 0.000000\n0.000000 0.000000 5.019573\nLi Mg\n2 4\ndirect\n0.666667 0.333333 0.500000 Li\n0.333333 0.666667 0.500000 Li\n0.661355 -0.000000 0.000000 Mg\n0.338645 0.338645 0.000000 Mg\n-0.000000 0.661354 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
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"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4253768264363293,
"density_atomic": 0.04635642862131042,
"volume": 129.4318863304701,
"volume_molar": 12.990950638573514,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2740104761904762,
"spacegroup": 189
},
{
"id": "jvasp-90586",
"created_at": "2022-09-04T14:36:01.854629Z",
"updated_at": "2022-09-04T14:36:01.854648Z",
"structure_string": "Li4 Mg4\n1.0\n10.801436 0.000000 0.232785\n0.000000 3.450157 0.000000\n-2.273150 0.000000 4.290397\nLi Mg\n4 4\ndirect\n0.867096 0.500000 0.616984 Li\n0.632905 0.000000 0.383018 Li\n0.367096 0.000000 0.616984 Li\n0.132904 0.500000 0.383018 Li\n0.616380 0.500000 0.866468 Mg\n0.883621 0.000000 0.133535 Mg\n0.116380 0.000000 0.866467 Mg\n0.383621 0.500000 0.133534 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.04946993213058722,
"volume": 161.71439206510667,
"volume_molar": 12.173335399173743,
"formula_full": "Li4 Mg4",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3530728571428572,
"spacegroup": 74
},
{
"id": "jvasp-93294",
"created_at": "2022-09-04T14:36:05.781668Z",
"updated_at": "2022-09-04T14:36:05.781694Z",
"structure_string": "Li5 Mg1\n1.0\n-4.557744 2.631413 0.000000\n0.000007 -5.262817 0.000180\n-1.519349 2.631238 4.982988\nLi Mg\n5 1\ndirect\n-0.000266 -0.000000 0.000000 Li\n0.666933 0.333601 0.000002 Li\n0.333334 0.666399 -0.000002 Li\n0.499712 0.833617 0.500853 Li\n0.166948 0.166384 0.499148 Li\n0.833332 0.500000 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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"volume": 119.52615067039994,
"volume_molar": 11.99672173063528,
"formula_full": "Li5 Mg1",
"formula_reduced": "Li5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.626297619047619,
"spacegroup": 155
},
{
"id": "jvasp-90587",
"created_at": "2022-09-04T14:36:07.282468Z",
"updated_at": "2022-09-04T14:36:07.282499Z",
"structure_string": "Li6 Mg2\n1.0\n3.362428 0.000000 0.000000\n0.000000 9.698100 0.000000\n0.000000 0.000000 4.880480\nLi Mg\n6 2\ndirect\n0.500000 0.000000 0.916823 Li\n0.000000 0.241741 0.916523 Li\n0.500000 0.258259 0.416524 Li\n0.000000 0.500000 0.416823 Li\n0.500000 0.741740 0.416524 Li\n0.000000 0.758259 0.916523 Li\n0.000000 0.000000 0.416795 Mg\n0.500000 0.500000 0.916795 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density": 0.9417225956602369,
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"volume": 159.14836777381768,
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"formula_full": "Li6 Mg2",
"formula_reduced": "Li3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5173414285714286,
"spacegroup": 71
}
]
}