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{
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{
"id": "jvasp-68812",
"created_at": "2022-09-04T14:35:45.488370Z",
"updated_at": "2022-09-04T14:35:45.488399Z",
"structure_string": "Mn2 Be2 Zn1\n1.0\n-1.771200 1.771200 4.810583\n1.771200 -1.771200 4.810583\n1.771200 1.771200 -4.810583\nMn Be Zn\n2 2 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.605210 0.605210 0.000000 Be\n0.394789 0.394789 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 5,
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],
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"volume": 60.36607105809409,
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"formula_full": "Mn2 Be2 Zn1",
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{
"id": "jvasp-91223",
"created_at": "2022-09-04T14:35:45.533394Z",
"updated_at": "2022-09-04T14:35:45.533418Z",
"structure_string": "Tb2 Al1 Co2\n1.0\n3.728631 0.000000 1.507643\n1.098714 4.570125 2.647270\n-0.012113 -0.017828 5.394515\nTb Al Co\n2 1 2\ndirect\n0.204330 0.295669 0.295670 Tb\n0.795670 0.704329 0.704330 Tb\n0.000000 0.000000 0.000000 Al\n0.500000 0.280004 0.719995 Co\n0.500000 0.719995 0.280004 Co\n",
"nsites": 5,
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"elements": [
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"Co"
],
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"density": 8.337437702273036,
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"volume": 92.15410972643004,
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"formula_full": "Tb2 Al1 Co2",
"formula_reduced": "Tb2AlCo2",
"formula_anonymous": "AB2C2",
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"spacegroup": 71
},
{
"id": "jvasp-15531",
"created_at": "2022-09-04T14:35:45.521995Z",
"updated_at": "2022-09-04T14:35:45.522014Z",
"structure_string": "Ca1 As2 Pd2\n1.0\n4.053550 -0.000000 -1.583465\n-0.618559 4.006077 -1.583465\n0.003332 0.003886 5.988654\nCa As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.378817 0.378819 0.757635 As\n0.621182 0.621183 0.242363 As\n0.250000 0.750001 0.499999 Pd\n0.750000 0.250001 0.499999 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"As",
"Pd"
],
"chemical_system": "As-Ca-Pd",
"density": 6.873690165844003,
"density_atomic": 0.051388179563529604,
"volume": 97.29864031899896,
"volume_molar": 11.718922155152462,
"formula_full": "Ca1 As2 Pd2",
"formula_reduced": "Ca(AsPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4598830639999998,
"spacegroup": 139
},
{
"id": "jvasp-22563",
"created_at": "2022-09-04T14:35:45.527374Z",
"updated_at": "2022-09-04T14:35:45.527383Z",
"structure_string": "Na2 C1 N2\n1.0\n3.428819 0.009686 0.841715\n-0.173511 3.424440 0.841715\n-0.030449 -0.032122 5.495181\nNa C N\n2 1 2\ndirect\n0.322881 0.322882 0.309138 Na\n0.677119 0.677120 0.690860 Na\n0.000000 0.000000 0.000000 C\n0.160778 0.160779 0.773861 N\n0.839222 0.839223 0.226137 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"C",
"N"
],
"chemical_system": "C-N-Na",
"density": 2.206708467026888,
"density_atomic": 0.07725899294389209,
"volume": 64.71738511568688,
"volume_molar": 7.794744055715906,
"formula_full": "Na2 C1 N2",
"formula_reduced": "Na2CN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.0635069,
"spacegroup": 12
},
{
"id": "jvasp-92696",
"created_at": "2022-09-04T14:35:47.381501Z",
"updated_at": "2022-09-04T14:35:47.381525Z",
"structure_string": "Ca1 Ga2 As2\n1.0\n-2.013151 -3.486879 -0.000000\n2.013151 -3.486879 -0.000000\n0.000000 -2.324586 8.340351\nCa Ga As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.450960 0.450960 0.647121 Ga\n0.549041 0.549041 0.352879 Ga\n0.257440 0.257440 0.227678 As\n0.742560 0.742560 0.772322 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"As"
],
"chemical_system": "As-Ca-Ga",
"density": 4.6709142385794165,
"density_atomic": 0.04270143328226704,
"volume": 117.09208838374963,
"volume_molar": 14.102900762586025,
"formula_full": "Ca1 Ga2 As2",
"formula_reduced": "Ca(GaAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5712897139999998,
"spacegroup": 166
},
{
"id": "jvasp-92293",
"created_at": "2022-09-04T14:35:45.606577Z",
"updated_at": "2022-09-04T14:35:45.606604Z",
"structure_string": "Hf2 H2 Pd1\n1.0\n3.199028 0.000000 0.000000\n0.000000 3.199028 0.000000\n-1.599514 -1.599514 6.137358\nHf H Pd\n2 2 1\ndirect\n0.641729 0.641729 0.283457 Hf\n0.358273 0.358273 0.716543 Hf\n0.250001 0.750001 0.500000 H\n0.750001 0.250001 0.500000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
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"elements": [
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"H",
"Pd"
],
"chemical_system": "H-Hf-Pd",
"density": 12.304748887925244,
"density_atomic": 0.07960722122883622,
"volume": 62.808372441831246,
"volume_molar": 7.564817195024253,
"formula_full": "Hf2 H2 Pd1",
"formula_reduced": "Hf2H2Pd",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.676470339999999,
"spacegroup": 139
},
{
"id": "jvasp-105994",
"created_at": "2022-09-04T14:35:45.620826Z",
"updated_at": "2022-09-04T14:35:45.620856Z",
"structure_string": "Sr2 Zn1 Sb2\n1.0\n4.668938 -0.000000 0.000000\n-2.334469 4.043420 0.000000\n-0.000000 0.000000 8.644102\nSr Zn Sb\n2 1 2\ndirect\n0.333333 0.666667 0.716706 Sr\n0.333333 0.666667 0.283294 Sr\n0.666667 0.333333 0.000000 Zn\n0.666667 0.333333 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 5,
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"elements": [
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"Zn",
"Sb"
],
"chemical_system": "Sb-Sr-Zn",
"density": 4.926735330235187,
"density_atomic": 0.030639604824136326,
"volume": 163.18748328180962,
"volume_molar": 19.654759891864085,
"formula_full": "Sr2 Zn1 Sb2",
"formula_reduced": "Sr2ZnSb2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0577851129999998,
"spacegroup": 187
},
{
"id": "jvasp-93282",
"created_at": "2022-09-04T14:35:45.655729Z",
"updated_at": "2022-09-04T14:35:45.655757Z",
"structure_string": "La1 Co2 P2\n1.0\n3.468984 -0.127608 -1.471873\n-0.498170 3.435398 -1.471872\n0.608658 0.677697 6.204871\nLa Co P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250004 0.749997 0.500000 Co\n0.749996 0.250004 0.500000 Co\n0.353690 0.353691 0.707388 P\n0.646309 0.646310 0.292613 P\n",
"nsites": 5,
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"elements": [
"La",
"Co",
"P"
],
"chemical_system": "Co-La-P",
"density": 6.558169116249802,
"density_atomic": 0.0619576648648227,
"volume": 80.70026542977118,
"volume_molar": 9.719767155748878,
"formula_full": "La1 Co2 P2",
"formula_reduced": "La(CoP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.86626556,
"spacegroup": 139
},
{
"id": "jvasp-15310",
"created_at": "2022-09-04T14:35:45.688931Z",
"updated_at": "2022-09-04T14:35:45.688951Z",
"structure_string": "Sm1 Si2 Ru2\n1.0\n3.918075 -0.000000 -1.548593\n-0.612071 3.869972 -1.548593\n-0.015129 -0.017710 5.692556\nSm Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.633253 0.633252 0.266507 Si\n0.366748 0.366747 0.733495 Si\n0.750001 0.250000 0.500001 Ru\n0.250000 0.750000 0.500001 Ru\n",
"nsites": 5,
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"elements": [
"Sm",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Sm",
"density": 7.881660153729978,
"density_atomic": 0.05807173360068108,
"volume": 86.1004087527595,
"volume_molar": 10.370175620053075,
"formula_full": "Sm1 Si2 Ru2",
"formula_reduced": "Sm(SiRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.409223415,
"spacegroup": 139
},
{
"id": "jvasp-15702",
"created_at": "2022-09-04T14:35:45.704879Z",
"updated_at": "2022-09-04T14:35:45.704898Z",
"structure_string": "U2 Ir1 C2\n1.0\n3.369438 -0.000000 -0.904983\n-0.243066 3.360659 -0.904983\n-0.002330 -0.002504 6.716370\nU Ir C\n2 1 2\ndirect\n0.354073 0.354074 0.708147 U\n0.645927 0.645927 0.291855 U\n0.000000 0.000000 0.000000 Ir\n0.829451 0.829453 0.658905 C\n0.170548 0.170549 0.341096 C\n",
"nsites": 5,
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"elements": [
"U",
"Ir",
"C"
],
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"density": 15.1186059892956,
"density_atomic": 0.06575680378117682,
"volume": 76.03775902245529,
"volume_molar": 9.158201758163715,
"formula_full": "U2 Ir1 C2",
"formula_reduced": "U2IrC2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 6.011162619999999,
"spacegroup": 139
},
{
"id": "jvasp-85378",
"created_at": "2022-09-04T14:35:45.825659Z",
"updated_at": "2022-09-04T14:35:45.825675Z",
"structure_string": "Eu4 Br2 O4\n1.0\n3.968206 -0.000000 0.965087\n1.667052 6.190878 1.786180\n0.128485 0.464092 8.112391\nEu Br O\n4 2 4\ndirect\n0.654638 0.245175 0.445551 Eu\n0.963428 0.263703 0.809445 Eu\n0.036574 0.736297 0.190555 Eu\n0.345364 0.754825 0.554449 Eu\n0.297074 0.269555 0.136297 Br\n0.702928 0.730445 0.863703 Br\n0.847272 0.885267 0.420192 O\n0.152730 0.114733 0.579808 O\n0.466396 0.372284 0.694926 O\n0.533605 0.627716 0.305074 O\n",
"nsites": 10,
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"elements": [
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"Br",
"O"
],
"chemical_system": "Br-Eu-O",
"density": 7.046525484757755,
"density_atomic": 0.05102456137544781,
"volume": 195.98404631875655,
"volume_molar": 11.802435136459119,
"formula_full": "Eu4 Br2 O4",
"formula_reduced": "Eu2BrO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0452742209999994,
"spacegroup": 12
},
{
"id": "jvasp-15355",
"created_at": "2022-09-04T14:35:45.809640Z",
"updated_at": "2022-09-04T14:35:45.809659Z",
"structure_string": "Nd1 Ni2 Ge2\n1.0\n3.872199 -0.000000 -1.493688\n-0.576185 3.829090 -1.493688\n-0.009312 -0.010818 5.741799\nNd Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Ni\n0.249999 0.750000 0.500000 Ni\n0.632223 0.632223 0.264446 Ge\n0.367777 0.367776 0.735553 Ge\n",
"nsites": 5,
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],
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"density": 7.948474777163127,
"density_atomic": 0.05881764409116704,
"volume": 85.00850513920663,
"volume_molar": 10.238663674909715,
"formula_full": "Nd1 Ni2 Ge2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
}
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