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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3551",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3549",
"results": [
{
"id": "jvasp-23690",
"created_at": "2022-09-04T14:38:35.752538Z",
"updated_at": "2022-09-04T14:38:35.752566Z",
"structure_string": "Mn4 Si4 Ir4\n1.0\n3.943793 0.000000 0.000000\n0.000000 5.117155 0.000000\n0.000000 0.000000 7.486305\nMn Si Ir\n4 4 4\ndirect\n0.749999 0.970781 0.221193 Mn\n0.250000 0.029218 0.778807 Mn\n0.749999 0.470782 0.278807 Mn\n0.250000 0.529217 0.721192 Mn\n0.250000 0.186238 0.109003 Si\n0.749999 0.813761 0.890997 Si\n0.250000 0.686237 0.390997 Si\n0.749999 0.313762 0.609002 Si\n0.250000 0.682060 0.060000 Ir\n0.749999 0.317939 0.940000 Ir\n0.250000 0.182061 0.440000 Ir\n0.749999 0.817938 0.559999 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ir"
],
"chemical_system": "Ir-Mn-Si",
"density": 12.100722379571595,
"density_atomic": 0.0794275278294977,
"volume": 151.0811217209187,
"volume_molar": 7.58193150985055,
"formula_full": "Mn4 Si4 Ir4",
"formula_reduced": "MnSiIr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.4539789804597696,
"spacegroup": 62
},
{
"id": "jvasp-16563",
"created_at": "2022-09-04T14:37:54.901686Z",
"updated_at": "2022-09-04T14:37:54.901714Z",
"structure_string": "Mn1 Sn1 Ir1\n1.0\n3.751309 -0.000000 2.165819\n1.250437 3.536768 2.165819\n0.000000 0.000000 4.331639\nMn Sn Ir\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"Ir"
],
"chemical_system": "Ir-Mn-Sn",
"density": 10.571298823586112,
"density_atomic": 0.052201091979414006,
"volume": 57.47006214320341,
"volume_molar": 11.536426790410605,
"formula_full": "Mn1 Sn1 Ir1",
"formula_reduced": "MnSnIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8598733471264364,
"spacegroup": 216
},
{
"id": "jvasp-41654",
"created_at": "2022-09-04T14:37:37.979764Z",
"updated_at": "2022-09-04T14:37:37.979790Z",
"structure_string": "Ti2 Mn1 Ir1\n1.0\n-0.000000 3.040877 3.040877\n3.040877 -0.000000 3.040877\n3.040877 3.040877 0.000000\nTi Mn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.750002 0.750002 0.750002 Mn\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Ir"
],
"chemical_system": "Ir-Mn-Ti",
"density": 10.124559814221127,
"density_atomic": 0.071126826878181,
"volume": 56.237571329462014,
"volume_molar": 8.466764263664015,
"formula_full": "Ti2 Mn1 Ir1",
"formula_reduced": "Ti2MnIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.942193752011495,
"spacegroup": 225
},
{
"id": "jvasp-101031",
"created_at": "2022-09-04T14:36:40.997902Z",
"updated_at": "2022-09-04T14:36:40.997922Z",
"structure_string": "Ti1 Mn1 Ir2\n1.0\n3.774108 -0.000000 2.178982\n1.258036 3.558263 2.178982\n-0.000000 -0.000000 4.357965\nTi Mn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.499999 Mn\n0.250000 0.250000 0.249999 Ir\n0.750001 0.749999 0.749998 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Ir"
],
"chemical_system": "Ir-Mn-Ti",
"density": 13.82467957967059,
"density_atomic": 0.06834769690466394,
"volume": 58.52428364308273,
"volume_molar": 8.811036849420246,
"formula_full": "Ti1 Mn1 Ir2",
"formula_reduced": "TiMnIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.18288694367816,
"spacegroup": 225
},
{
"id": "jvasp-41226",
"created_at": "2022-09-04T14:37:37.212004Z",
"updated_at": "2022-09-04T14:37:37.212024Z",
"structure_string": "Mn1 Zn1 Ir2\n1.0\n-0.000000 3.022010 3.022010\n3.022010 0.000000 3.022010\n3.022010 3.022010 0.000000\nMn Zn Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"Ir"
],
"chemical_system": "Ir-Mn-Zn",
"density": 15.185687163703543,
"density_atomic": 0.07246733733335899,
"volume": 55.19728124685319,
"volume_molar": 8.310144930946455,
"formula_full": "Mn1 Zn1 Ir2",
"formula_reduced": "MnZnIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9293349603448275,
"spacegroup": 225
},
{
"id": "jvasp-103694",
"created_at": "2022-09-04T14:36:50.894099Z",
"updated_at": "2022-09-04T14:36:50.894125Z",
"structure_string": "Mo1 Ir4\n1.0\n2.732204 0.000197 11.102736\n1.346191 2.377543 11.102736\n0.000339 0.000197 11.433971\nMo Ir\n1 4\ndirect\n0.000000 0.000000 0.000000 Mo\n0.600661 0.600662 0.600662 Ir\n0.199365 0.199365 0.199365 Ir\n0.800633 0.800636 0.800636 Ir\n0.399338 0.399339 0.399339 Ir\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mo",
"Ir"
],
"chemical_system": "Ir-Mo",
"density": 19.33828656474536,
"density_atomic": 0.06733164112170492,
"volume": 74.25929201639804,
"volume_molar": 8.943998185213863,
"formula_full": "Mo1 Ir4",
"formula_reduced": "MoIr4",
"formula_anonymous": "AB4",
"energy_above_hull": 5.19657006,
"spacegroup": 166
},
{
"id": "jvasp-111352",
"created_at": "2022-09-04T14:38:49.996757Z",
"updated_at": "2022-09-04T14:38:49.996779Z",
"structure_string": "Mo1 Ir1\n1.0\n2.787409 0.000000 0.000000\n-1.393705 2.413966 0.000000\n-0.000000 0.000000 4.479848\nMo Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666668 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"Ir"
],
"chemical_system": "Ir-Mo",
"density": 15.873881937998036,
"density_atomic": 0.06634907461646343,
"volume": 30.14360051833689,
"volume_molar": 9.076450266731685,
"formula_full": "Mo1 Ir1",
"formula_reduced": "MoIr",
"formula_anonymous": "AB",
"energy_above_hull": 3.4171784999999995,
"spacegroup": 187
},
{
"id": "jvasp-16565",
"created_at": "2022-09-04T14:37:42.408341Z",
"updated_at": "2022-09-04T14:37:42.408359Z",
"structure_string": "Mo2 Ir6\n1.0\n2.775249 -4.806873 -0.000000\n2.775249 4.806873 0.000000\n0.000000 0.000000 4.423479\nMo Ir\n2 6\ndirect\n0.333333 0.666667 0.750000 Mo\n0.666667 0.333333 0.250000 Mo\n0.333149 0.166575 0.750000 Ir\n0.166575 0.833425 0.250000 Ir\n0.166575 0.333149 0.250000 Ir\n0.833425 0.666852 0.750000 Ir\n0.833425 0.166575 0.750000 Ir\n0.666852 0.833425 0.250000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"Ir"
],
"chemical_system": "Ir-Mo",
"density": 18.926555232058302,
"density_atomic": 0.06778465947284934,
"volume": 118.02080385465892,
"volume_molar": 8.884223667763832,
"formula_full": "Mo2 Ir6",
"formula_reduced": "MoIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.870964799999999,
"spacegroup": 194
},
{
"id": "jvasp-20086",
"created_at": "2022-09-04T14:35:45.749618Z",
"updated_at": "2022-09-04T14:35:45.749641Z",
"structure_string": "Mo6 Ir2\n1.0\n4.995573 0.000000 -0.000000\n0.000000 4.995573 -0.000000\n-0.000000 0.000000 4.995573\nMo Ir\n6 2\ndirect\n0.500000 0.250000 0.000000 Mo\n0.500000 0.749999 0.000000 Mo\n0.250000 0.000000 0.500000 Mo\n0.749999 0.000000 0.500000 Mo\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.749999 Mo\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"Ir"
],
"chemical_system": "Ir-Mo",
"density": 12.78786011905687,
"density_atomic": 0.06417029827514456,
"volume": 124.66826888817322,
"volume_molar": 9.384623294376349,
"formula_full": "Mo6 Ir2",
"formula_reduced": "Mo3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 5.6131222,
"spacegroup": 223
},
{
"id": "jvasp-16564",
"created_at": "2022-09-04T14:37:58.452670Z",
"updated_at": "2022-09-04T14:37:58.452696Z",
"structure_string": "Mo2 Ir2\n1.0\n2.779497 0.000000 0.000000\n0.000000 4.459767 -0.000000\n0.000000 -0.000000 4.853367\nMo Ir\n2 2\ndirect\n0.000000 0.250000 0.829358 Mo\n0.000000 0.750001 0.170643 Mo\n0.500001 0.250000 0.324025 Ir\n0.500001 0.750001 0.675976 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"Ir"
],
"chemical_system": "Ir-Mo",
"density": 15.90694410636461,
"density_atomic": 0.06648726666579982,
"volume": 60.16189566200873,
"volume_molar": 9.057585101626248,
"formula_full": "Mo2 Ir2",
"formula_reduced": "MoIr",
"formula_anonymous": "AB",
"energy_above_hull": 3.355998499999999,
"spacegroup": 51
},
{
"id": "jvasp-21190",
"created_at": "2022-09-04T14:38:29.348818Z",
"updated_at": "2022-09-04T14:38:29.348844Z",
"structure_string": "Mo2 Ir2 O12\n1.0\n0.000000 5.177998 0.003223\n5.274585 0.000000 0.000000\n0.000000 -5.181357 -7.439101\nMo Ir O\n2 2 12\ndirect\n0.000000 0.500000 0.000000 Mo\n-0.000000 0.000000 0.500000 Mo\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.673923 0.486613 0.750086 O\n0.838554 0.202695 0.038592 O\n0.262102 0.202214 0.461889 O\n0.737898 0.702214 0.038111 O\n0.161447 0.702696 0.461408 O\n0.326077 0.986614 0.749915 O\n0.673923 0.013387 0.250086 O\n0.838553 0.297305 0.538592 O\n0.262102 0.297787 0.961889 O\n0.161446 0.797305 0.961408 O\n0.737898 0.797787 0.538111 O\n0.326077 0.513388 0.249915 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mo",
"Ir",
"O"
],
"chemical_system": "Ir-Mo-O",
"density": 6.282051134144582,
"density_atomic": 0.07878393621800048,
"volume": 203.08708561764314,
"volume_molar": 7.643868850797616,
"formula_full": "Mo2 Ir2 O12",
"formula_reduced": "MoIrO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.4874335,
"spacegroup": 14
},
{
"id": "jvasp-99603",
"created_at": "2022-09-04T14:36:39.117373Z",
"updated_at": "2022-09-04T14:36:39.117391Z",
"structure_string": "Ta2 Mo1 Ir1\n1.0\n3.929904 -0.000000 2.268931\n1.309968 3.705149 2.268931\n-0.000000 -0.000000 4.537862\nTa Mo Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.749999 Ta\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mo",
"Ir"
],
"chemical_system": "Ir-Mo-Ta",
"density": 16.336491851416827,
"density_atomic": 0.0605370268639877,
"volume": 66.0752634744856,
"volume_molar": 9.947863434935973,
"formula_full": "Ta2 Mo1 Ir1",
"formula_reduced": "Ta2MoIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.903638849999999,
"spacegroup": 225
}
]
}