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{
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"results": [
{
"id": "jvasp-18214",
"created_at": "2022-09-04T14:38:09.715733Z",
"updated_at": "2022-09-04T14:38:09.715752Z",
"structure_string": "Ba1 Mn2 Ge2\n1.0\n3.823258 0.000000 -1.442411\n-0.544182 3.784331 -1.442411\n0.453074 0.522885 6.989091\nBa Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250001 0.500000 Mn\n0.647633 0.647633 0.295266 Ge\n0.352367 0.352368 0.704735 Ge\n",
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"elements": [
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],
"chemical_system": "Ba-Ge-Mn",
"density": 6.097315325940635,
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"volume": 106.88860081618635,
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"formula_full": "Ba1 Mn2 Ge2",
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"spacegroup": 139
},
{
"id": "jvasp-65447",
"created_at": "2022-09-04T14:36:05.129951Z",
"updated_at": "2022-09-04T14:36:05.129966Z",
"structure_string": "Ba1 Mn2 Ga1\n1.0\n3.385991 0.000000 -0.000000\n0.000000 3.385991 -0.000000\n-0.000000 0.000000 7.452367\nBa Mn Ga\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.664151 Mn\n0.000000 0.000000 0.335849 Mn\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Mn",
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],
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"density": 6.159440399784063,
"density_atomic": 0.046815984260745284,
"volume": 85.44090363927174,
"volume_molar": 12.863428709432267,
"formula_full": "Ba1 Mn2 Ga1",
"formula_reduced": "BaMn2Ga",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-69235",
"created_at": "2022-09-04T14:36:16.468269Z",
"updated_at": "2022-09-04T14:36:16.468294Z",
"structure_string": "Ba1 Mn2 Cu1\n1.0\n-2.119104 2.119104 4.791053\n2.119104 -2.119104 4.791053\n2.119104 2.119104 -4.791053\nBa Mn Cu\n1 2 1\ndirect\n0.250000 0.749999 0.499999 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.749999 0.250000 0.499999 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
"Cu"
],
"chemical_system": "Ba-Cu-Mn",
"density": 5.996025262843155,
"density_atomic": 0.04647982479477052,
"volume": 86.05884419017954,
"volume_molar": 12.956461833904235,
"formula_full": "Ba1 Mn2 Cu1",
"formula_reduced": "BaMn2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1711177256896548,
"spacegroup": 139
},
{
"id": "jvasp-65569",
"created_at": "2022-09-04T14:35:58.912143Z",
"updated_at": "2022-09-04T14:35:58.912169Z",
"structure_string": "Ba1 Mn2 Cl1\n1.0\n4.190884 0.000000 0.000000\n0.000000 4.190884 0.000000\n0.000000 -0.000000 6.496263\nBa Mn Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Cl"
],
"chemical_system": "Ba-Cl-Mn",
"density": 4.113699513767161,
"density_atomic": 0.03505783657420651,
"volume": 114.09717172744665,
"volume_molar": 17.177730711514403,
"formula_full": "Ba1 Mn2 Cl1",
"formula_reduced": "BaMn2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1055261300646557,
"spacegroup": 123
},
{
"id": "jvasp-92519",
"created_at": "2022-09-04T14:35:55.203088Z",
"updated_at": "2022-09-04T14:35:55.203123Z",
"structure_string": "Ba1 Mn2 Bi2\n1.0\n4.599884 0.000000 -0.000000\n0.000000 4.599884 -0.000000\n-2.299943 -2.299943 6.842013\nBa Mn Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.631079 0.631079 0.262159 Bi\n0.368921 0.368921 0.737840 Bi\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Bi"
],
"chemical_system": "Ba-Bi-Mn",
"density": 7.629570798146883,
"density_atomic": 0.03453761545948033,
"volume": 144.76969337579254,
"volume_molar": 17.436469425821247,
"formula_full": "Ba1 Mn2 Bi2",
"formula_reduced": "Ba(MnBi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.124175810551725,
"spacegroup": 139
},
{
"id": "jvasp-17300",
"created_at": "2022-09-04T14:38:30.113578Z",
"updated_at": "2022-09-04T14:38:30.113595Z",
"structure_string": "Ba1 Mn2 As2\n1.0\n3.741071 0.000000 -1.101501\n-0.324321 3.726987 -1.101501\n0.113057 0.123322 7.287699\nBa Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250001 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.644802 0.644802 0.289604 As\n0.355199 0.355198 0.710397 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"As"
],
"chemical_system": "As-Ba-Mn",
"density": 6.4242664103822245,
"density_atomic": 0.04871955435779462,
"volume": 102.62819654055502,
"volume_molar": 12.360828910243349,
"formula_full": "Ba1 Mn2 As2",
"formula_reduced": "Ba(MnAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.628920790551724,
"spacegroup": 139
},
{
"id": "jvasp-11800",
"created_at": "2022-09-04T14:37:07.370685Z",
"updated_at": "2022-09-04T14:37:07.370716Z",
"structure_string": "Ba1 Mn1 V2 Ag2 O8\n1.0\n2.775925 -4.808043 -0.000000\n2.775925 4.808043 0.000000\n0.000000 -0.000000 7.326711\nBa Mn V Ag O\n1 1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mn\n0.333332 0.666666 0.251640 V\n0.666666 0.333332 0.748359 V\n0.666666 0.333332 0.312215 Ag\n0.333332 0.666666 0.687785 Ag\n0.333332 0.666666 0.019163 O\n0.666666 0.333332 0.980837 O\n0.079995 0.749359 0.323598 O\n0.669363 0.920003 0.323598 O\n0.250640 0.330635 0.323598 O\n0.920003 0.250640 0.676402 O\n0.749358 0.669363 0.676402 O\n0.330635 0.079995 0.676402 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"V",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-Mn-O-V",
"density": 5.41592589279954,
"density_atomic": 0.07158349647105323,
"volume": 195.5758057398228,
"volume_molar": 8.41275022439735,
"formula_full": "Ba1 Mn1 V2 Ag2 O8",
"formula_reduced": "BaMnV2(AgO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.6271660093842364,
"spacegroup": 147
},
{
"id": "jvasp-69052",
"created_at": "2022-09-04T14:36:01.142887Z",
"updated_at": "2022-09-04T14:36:01.142915Z",
"structure_string": "Ba1 Mn1 Se4\n1.0\n-0.000000 4.259732 4.259732\n4.259732 0.000000 4.259732\n4.259732 4.259732 0.000000\nBa Mn Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mn\n0.120980 0.626340 0.626340 Se\n0.626340 0.626340 0.626340 Se\n0.626340 0.120980 0.626340 Se\n0.626340 0.626340 0.120980 Se\n",
"nsites": 6,
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"elements": [
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"Mn",
"Se"
],
"chemical_system": "Ba-Mn-Se",
"density": 5.457902580521919,
"density_atomic": 0.038812750940855706,
"volume": 154.5883724949829,
"volume_molar": 15.515882317068325,
"formula_full": "Ba1 Mn1 Se4",
"formula_reduced": "BaMnSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7614461130076626,
"spacegroup": 216
},
{
"id": "jvasp-66072",
"created_at": "2022-09-04T14:36:05.226945Z",
"updated_at": "2022-09-04T14:36:05.226965Z",
"structure_string": "Ba1 Mn1 Sb1\n1.0\n0.000000 3.874660 3.874660\n3.874660 0.000000 3.874660\n3.874660 3.874660 0.000000\nBa Mn Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Mn",
"Sb"
],
"chemical_system": "Ba-Mn-Sb",
"density": 4.482110820802567,
"density_atomic": 0.02578638491154744,
"volume": 116.34046456262139,
"volume_molar": 23.353955122663262,
"formula_full": "Ba1 Mn1 Sb1",
"formula_reduced": "BaMnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.82226977045977,
"spacegroup": 216
},
{
"id": "jvasp-66498",
"created_at": "2022-09-04T14:36:00.822921Z",
"updated_at": "2022-09-04T14:36:00.822955Z",
"structure_string": "Ba1 Mn1 Pb1\n1.0\n0.000000 3.886339 3.886339\n3.886339 0.000000 3.886339\n3.886339 3.886339 0.000000\nBa Mn Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 3,
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"elements": [
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"Mn",
"Pb"
],
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"density": 5.650356397463426,
"density_atomic": 0.025554607598857883,
"volume": 117.39565901743995,
"volume_molar": 23.565772773866225,
"formula_full": "Ba1 Mn1 Pb1",
"formula_reduced": "BaMnPb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5072513437931032,
"spacegroup": 216
},
{
"id": "jvasp-36607",
"created_at": "2022-09-04T14:37:27.777308Z",
"updated_at": "2022-09-04T14:37:27.777321Z",
"structure_string": "Ba1 Mn1 O3\n1.0\n3.947255 -0.000000 -0.000000\n-0.000000 3.947255 -0.000000\n0.000000 -0.000000 3.947255\nBa Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.499999 0.499999 0.499999 Mn\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ba-Mn-O",
"density": 6.4871043693352775,
"density_atomic": 0.08129885961219024,
"volume": 61.50147768186261,
"volume_molar": 7.407411110963502,
"formula_full": "Ba1 Mn1 O3",
"formula_reduced": "BaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.920154742275862,
"spacegroup": 221
},
{
"id": "jvasp-65443",
"created_at": "2022-09-04T14:36:03.264793Z",
"updated_at": "2022-09-04T14:36:03.264811Z",
"structure_string": "Ba1 Mn1 In2\n1.0\n3.577381 -0.000000 0.000000\n-0.000000 3.674022 0.000000\n0.000000 0.000000 8.116154\nBa Mn In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.813525 In\n0.000000 0.000000 0.186475 In\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.567536135257429,
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"volume": 106.67366772461673,
"volume_molar": 16.06009606057777,
"formula_full": "Ba1 Mn1 In2",
"formula_reduced": "BaMnIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7492307878448274,
"spacegroup": 123
}
]
}