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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=957",
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"results": [
{
"id": "jvasp-116484",
"created_at": "2022-09-04T14:38:42.938285Z",
"updated_at": "2022-09-04T14:38:42.938310Z",
"structure_string": "Li4 Mn2 Sn2 S8\n1.0\n6.828645 0.000000 0.000000\n-0.000000 5.035991 4.041024\n-0.000000 0.033445 10.240983\nLi Mn Sn S\n4 2 2 8\ndirect\n0.338507 0.165151 0.225840 Li\n0.661492 0.165151 0.725840 Li\n0.833187 0.913454 0.479125 Li\n0.166813 0.913455 0.979125 Li\n0.169762 0.418686 0.475933 Mn\n0.830237 0.418687 0.975932 Mn\n0.669454 0.667216 0.227192 Sn\n0.330545 0.667217 0.727191 Sn\n0.333538 0.539728 0.229344 S\n0.666461 0.539729 0.729343 S\n0.839020 0.293701 0.476576 S\n0.160979 0.293701 0.976575 S\n0.832151 0.789869 0.975747 S\n0.167849 0.789869 0.475748 S\n0.676169 0.047126 0.225341 S\n0.323831 0.047127 0.725340 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Mn",
"Sn",
"S"
],
"chemical_system": "Li-Mn-S-Sn",
"density": 2.985767563867398,
"density_atomic": 0.045551056056793715,
"volume": 351.25420539209824,
"volume_molar": 13.22063917133229,
"formula_full": "Li4 Mn2 Sn2 S8",
"formula_reduced": "Li2MnSnS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 7
},
{
"id": "jvasp-15939",
"created_at": "2022-09-04T14:37:01.339920Z",
"updated_at": "2022-09-04T14:37:01.339943Z",
"structure_string": "Li1 Mn1 Se2\n1.0\n1.986679 -3.441029 -0.000000\n1.986679 3.441029 0.000000\n0.000000 -0.000000 6.472646\nLi Mn Se\n1 1 2\ndirect\n0.666667 0.333333 0.824224 Li\n-0.000000 0.000000 0.341926 Mn\n-0.000000 0.000000 0.986918 Se\n0.333333 0.666667 0.495133 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Se"
],
"chemical_system": "Li-Mn-Se",
"density": 4.124269283669435,
"density_atomic": 0.04519934136562754,
"volume": 88.49686475834038,
"volume_molar": 13.323514409835228,
"formula_full": "Li1 Mn1 Se2",
"formula_reduced": "LiMnSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7813009936781603,
"spacegroup": 156
},
{
"id": "jvasp-14074",
"created_at": "2022-09-04T14:36:54.999741Z",
"updated_at": "2022-09-04T14:36:54.999771Z",
"structure_string": "Li1 Mn1 Se2\n1.0\n1.986681 -3.441032 -0.000000\n1.986681 3.441032 0.000000\n-0.000000 0.000000 6.472642\nLi Mn Se\n1 1 2\ndirect\n0.666667 0.333333 0.824223 Li\n0.000000 0.000000 0.341926 Mn\n0.000000 0.000000 0.986917 Se\n0.333333 0.666667 0.495134 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Se"
],
"chemical_system": "Li-Mn-Se",
"density": 4.124264084820825,
"density_atomic": 0.045199284389587216,
"volume": 88.49697631322455,
"volume_molar": 13.323531204815602,
"formula_full": "Li1 Mn1 Se2",
"formula_reduced": "LiMnSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7813009936781603,
"spacegroup": 156
},
{
"id": "jvasp-35941",
"created_at": "2022-09-04T14:37:42.349702Z",
"updated_at": "2022-09-04T14:37:42.349731Z",
"structure_string": "Li2 Mn2 Sb2\n1.0\n3.978492 0.000000 0.000000\n0.000000 3.978492 0.000000\n-0.000000 0.000000 6.993339\nLi Mn Sb\n2 2 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.769140 Sb\n0.500000 0.000000 0.230860 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Sb"
],
"chemical_system": "Li-Mn-Sb",
"density": 5.509631582269001,
"density_atomic": 0.05420379462706038,
"volume": 110.69335719541294,
"volume_molar": 11.110182970462258,
"formula_full": "Li2 Mn2 Sb2",
"formula_reduced": "LiMnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.968621113793104,
"spacegroup": 129
},
{
"id": "jvasp-50489",
"created_at": "2022-09-04T14:36:50.524554Z",
"updated_at": "2022-09-04T14:36:50.524566Z",
"structure_string": "Li12 Mn2 S8\n1.0\n7.983206 0.000000 0.000000\n0.000000 7.983206 0.000000\n0.000000 -0.000000 5.748076\nLi Mn S\n12 2 8\ndirect\n0.773262 0.773262 0.500000 Li\n0.726739 0.726739 0.000000 Li\n0.000000 0.500000 0.533560 Li\n0.000000 0.500000 0.033559 Li\n0.726739 0.273261 0.000000 Li\n0.273261 0.273261 0.000000 Li\n0.273261 0.726739 0.000000 Li\n0.773262 0.226739 0.500000 Li\n0.500000 0.000000 0.966442 Li\n0.500000 0.000000 0.466441 Li\n0.226739 0.773262 0.500000 Li\n0.226739 0.226739 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.756875 0.500000 0.280663 S\n0.500000 0.756875 0.719337 S\n0.256875 0.000000 0.219337 S\n0.743125 0.000000 0.219337 S\n0.500000 0.243125 0.719337 S\n0.000000 0.256875 0.780664 S\n0.243125 0.500000 0.280663 S\n0.000000 0.743125 0.780664 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-S",
"density": 2.038371362359954,
"density_atomic": 0.06005449331103869,
"volume": 366.33395416486104,
"volume_molar": 10.027793805219007,
"formula_full": "Li12 Mn2 S8",
"formula_reduced": "Li6MnS4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.639382476489028,
"spacegroup": 137
},
{
"id": "jvasp-23436",
"created_at": "2022-09-04T14:38:16.825194Z",
"updated_at": "2022-09-04T14:38:16.825212Z",
"structure_string": "Li2 Mn4 S8\n1.0\n6.044738 -0.000000 -3.173564\n-1.666161 5.810574 -3.173564\n-0.279103 -0.370383 6.811924\nLi Mn S\n2 4 8\ndirect\n0.375002 0.625001 0.750000 Li\n0.624999 0.375000 0.250001 Li\n0.000000 0.500001 0.000001 Mn\n0.000001 0.000000 0.500000 Mn\n0.500002 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.760898 0.782593 0.521796 S\n0.760799 0.239104 0.978208 S\n0.217408 0.239104 0.978206 S\n0.239103 0.217407 0.478206 S\n0.239102 0.760797 0.478205 S\n0.239202 0.760897 0.021796 S\n0.760898 0.239202 0.521795 S\n0.782593 0.760897 0.021795 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-S",
"density": 3.616658842246781,
"density_atomic": 0.06220907896982465,
"volume": 225.04753698074984,
"volume_molar": 9.680485324209863,
"formula_full": "Li2 Mn4 S8",
"formula_reduced": "Li(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.647610640394088,
"spacegroup": 227
},
{
"id": "jvasp-59889",
"created_at": "2022-09-04T14:37:16.987688Z",
"updated_at": "2022-09-04T14:37:16.987731Z",
"structure_string": "Li2 Mn4 S8\n1.0\n6.873765 -0.010862 -0.009338\n-3.427665 5.927331 -0.002016\n-3.432447 -1.943318 5.596811\nLi Mn S\n2 4 8\ndirect\n0.000003 0.999997 0.000004 Li\n0.500005 0.500007 0.500013 Li\n0.000001 0.999999 0.500004 Mn\n0.500003 0.000002 0.000007 Mn\n0.500003 0.000000 0.500005 Mn\n0.000001 0.499998 0.500004 Mn\n0.014772 0.757179 0.272374 S\n0.016613 0.756564 0.743432 S\n0.485230 0.227634 0.742821 S\n0.516612 0.243426 0.256570 S\n0.514773 0.772365 0.257187 S\n0.983391 0.243435 0.256576 S\n0.483393 0.756577 0.743443 S\n0.985231 0.242819 0.727635 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-S",
"density": 3.576983102577644,
"density_atomic": 0.0615266283075083,
"volume": 227.54375438921187,
"volume_molar": 9.787860842790728,
"formula_full": "Li2 Mn4 S8",
"formula_reduced": "Li(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.614794926108374,
"spacegroup": 74
},
{
"id": "jvasp-81343",
"created_at": "2022-09-04T14:37:06.036773Z",
"updated_at": "2022-09-04T14:37:06.036800Z",
"structure_string": "Li1 Mn1 Rh2\n1.0\n-6.748721 -1.862976 -6.938564\n-4.243019 -1.972238 -1.209041\n-2.955145 1.670405 -3.439681\nLi Mn Rh\n1 1 2\ndirect\n0.000001 0.000007 0.000007 Li\n0.500004 -0.000008 -0.000010 Mn\n0.749134 0.001621 0.001619 Rh\n0.250862 -0.001619 -0.001619 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Rh"
],
"chemical_system": "Li-Mn-Rh",
"density": 8.760828229366151,
"density_atomic": 0.0788358652480437,
"volume": 50.73832813802039,
"volume_molar": 7.638833849355688,
"formula_full": "Li1 Mn1 Rh2",
"formula_reduced": "LiMnRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7083083103448278,
"spacegroup": 71
},
{
"id": "jvasp-109150",
"created_at": "2022-09-04T14:37:58.399469Z",
"updated_at": "2022-09-04T14:37:58.399496Z",
"structure_string": "Rb1 Li1 Mn1 S2\n1.0\n3.757001 0.004262 -5.943106\n-0.311451 3.744071 -5.943106\n-0.003917 -0.004262 7.031042\nRb Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.499999 Li\n0.750000 0.250000 0.499999 Mn\n0.660641 0.660640 -0.000001 S\n0.339359 0.339359 -0.000001 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-Rb-S",
"density": 3.557143575833016,
"density_atomic": 0.0506476709651097,
"volume": 98.72122260951373,
"volume_molar": 11.890261971075724,
"formula_full": "Rb1 Li1 Mn1 S2",
"formula_reduced": "RbLiMnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.4758174482758617,
"spacegroup": 119
},
{
"id": "jvasp-41708",
"created_at": "2022-09-04T14:37:30.188094Z",
"updated_at": "2022-09-04T14:37:30.188117Z",
"structure_string": "Li1 Mn1 Pt2\n1.0\n0.000010 3.034590 3.034584\n3.034591 0.000009 3.034585\n3.034590 3.034590 0.000010\nLi Mn Pt\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750000 0.750001 Mn\n0.000001 0.000001 -0.000000 Pt\n0.500000 0.499999 0.499999 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Pt"
],
"chemical_system": "Li-Mn-Pt",
"density": 13.430910656634412,
"density_atomic": 0.07157028051112498,
"volume": 55.88912005700795,
"volume_molar": 8.414303698396028,
"formula_full": "Li1 Mn1 Pt2",
"formula_reduced": "LiMnPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.422917510344828,
"spacegroup": 225
},
{
"id": "jvasp-42891",
"created_at": "2022-09-04T14:36:14.217775Z",
"updated_at": "2022-09-04T14:36:14.217788Z",
"structure_string": "Li1 Mn1 Pd2\n1.0\n-0.000000 3.048087 3.048087\n3.048087 -0.000000 3.048087\n3.048087 3.048087 0.000000\nLi Mn Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Mn\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
"Pd"
],
"chemical_system": "Li-Mn-Pd",
"density": 8.05426276025833,
"density_atomic": 0.07062328580395834,
"volume": 56.6385428611112,
"volume_molar": 8.52713193877262,
"formula_full": "Li1 Mn1 Pd2",
"formula_reduced": "LiMnPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.979967160344828,
"spacegroup": 225
},
{
"id": "jvasp-88017",
"created_at": "2022-09-04T14:35:59.670975Z",
"updated_at": "2022-09-04T14:35:59.671004Z",
"structure_string": "Li2 Mn2 P2\n1.0\n3.809382 -0.000000 0.000000\n-0.000000 3.809382 0.000000\n0.000000 -0.000000 5.752220\nLi Mn P\n2 2 2\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.000000 Mn\n0.750000 0.250000 0.000000 Mn\n0.250000 0.250000 0.781522 P\n0.750000 0.750000 0.218478 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"P"
],
"chemical_system": "Li-Mn-P",
"density": 3.6942781556697777,
"density_atomic": 0.07187977548505832,
"volume": 83.47271481457567,
"volume_molar": 8.3780739705452,
"formula_full": "Li2 Mn2 P2",
"formula_reduced": "LiMnP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1650509137931038,
"spacegroup": 129
}
]
}