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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-59648",
"created_at": "2022-09-04T14:37:03.151187Z",
"updated_at": "2022-09-04T14:37:03.151217Z",
"structure_string": "Mn12 Si4 Ir4\n1.0\n6.350925 0.000000 0.000000\n0.000000 6.350925 0.000000\n-0.000000 -0.000000 6.350925\nMn Si Ir\n12 4 4\ndirect\n0.549415 0.630461 0.289289 Mn\n0.950586 0.369540 0.789289 Mn\n0.210711 0.450585 0.130461 Mn\n0.289289 0.549415 0.630461 Mn\n0.369540 0.789289 0.950586 Mn\n0.130461 0.210711 0.450585 Mn\n0.450585 0.130461 0.210711 Mn\n0.710712 0.049415 0.869540 Mn\n0.869540 0.710712 0.049415 Mn\n0.049415 0.869540 0.710712 Mn\n0.789289 0.950586 0.369540 Mn\n0.630461 0.289289 0.549415 Mn\n0.942471 0.557530 0.442471 Si\n0.557530 0.442471 0.942471 Si\n0.442471 0.942471 0.557530 Si\n0.057530 0.057530 0.057530 Si\n0.812463 0.312462 0.187538 Ir\n0.312462 0.187538 0.812463 Ir\n0.187538 0.812463 0.312462 Ir\n0.687539 0.687539 0.687539 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ir"
],
"chemical_system": "Ir-Mn-Si",
"density": 9.985973630084125,
"density_atomic": 0.07807626752710486,
"volume": 256.1597862379477,
"volume_molar": 7.713151448882159,
"formula_full": "Mn12 Si4 Ir4",
"formula_reduced": "Mn3SiIr",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.3360682848275856,
"spacegroup": 198
},
{
"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-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-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-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-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-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": [
"Ta",
"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
}
]
}