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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1118",
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"results": [
{
"id": "jvasp-108817",
"created_at": "2022-09-04T14:38:01.860058Z",
"updated_at": "2022-09-04T14:38:01.860086Z",
"structure_string": "Ti1 Mn1 N2\n1.0\n2.544753 -0.002242 1.392105\n1.140679 0.789561 6.976140\n-0.016765 -0.011604 18.144209\nTi Mn N\n1 1 2\ndirect\n-0.000000 -0.000056 0.500012 Ti\n0.000000 -0.000004 -0.000008 Mn\n0.000000 0.524892 0.570869 N\n0.000000 0.475077 0.429124 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"N"
],
"chemical_system": "Mn-N-Ti",
"density": 5.917648108578542,
"density_atomic": 0.10896600977124624,
"volume": 36.708694834263014,
"volume_molar": 5.52662318519542,
"formula_full": "Ti1 Mn1 N2",
"formula_reduced": "TiMnN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.33348801867816,
"spacegroup": 164
},
{
"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-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-35696",
"created_at": "2022-09-04T14:37:28.122792Z",
"updated_at": "2022-09-04T14:37:28.122816Z",
"structure_string": "Ti2 Mn1 In1\n1.0\n3.162394 3.162394 0.000000\n3.162394 0.000000 -3.162394\n0.000000 3.162394 -3.162394\nTi Mn In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.499999 0.499999 0.499999 Mn\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"In"
],
"chemical_system": "In-Mn-Ti",
"density": 6.969785472323244,
"density_atomic": 0.06323857332705435,
"volume": 63.252533850075714,
"volume_molar": 9.522891556795516,
"formula_full": "Ti2 Mn1 In1",
"formula_reduced": "Ti2MnIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8602209695114937,
"spacegroup": 216
},
{
"id": "jvasp-35676",
"created_at": "2022-09-04T14:37:32.914824Z",
"updated_at": "2022-09-04T14:37:32.914844Z",
"structure_string": "Ti2 Mn1 Ge1\n1.0\n3.047220 3.047220 0.000000\n3.047220 0.000000 -3.047220\n-0.000000 3.047220 -3.047220\nTi Mn Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Ti",
"density": 6.552692983015612,
"density_atomic": 0.07068358451407539,
"volume": 56.59022568675009,
"volume_molar": 8.519857618144417,
"formula_full": "Ti2 Mn1 Ge1",
"formula_reduced": "Ti2MnGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.107154964511494,
"spacegroup": 216
},
{
"id": "jvasp-40131",
"created_at": "2022-09-04T14:37:44.569139Z",
"updated_at": "2022-09-04T14:37:44.569156Z",
"structure_string": "Ti1 Mn2 Ge1\n1.0\n4.148797 -0.000085 -0.001105\n-2.074371 3.593157 0.000864\n-2.073664 -1.198175 3.387930\nTi Mn Ge\n1 2 1\ndirect\n0.500000 -0.000000 0.499999 Ti\n0.999995 0.749988 0.749996 Mn\n0.000005 0.250012 0.250001 Mn\n0.499999 0.499999 -0.000001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Ti",
"density": 7.5758176432248066,
"density_atomic": 0.07921178630837439,
"volume": 50.49753561203447,
"volume_molar": 7.602581687219608,
"formula_full": "Ti1 Mn2 Ge1",
"formula_reduced": "TiMn2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.194082191522989,
"spacegroup": 225
},
{
"id": "jvasp-80008",
"created_at": "2022-09-04T14:36:47.415285Z",
"updated_at": "2022-09-04T14:36:47.415306Z",
"structure_string": "Ti1 Mn2 Ga1\n1.0\n0.000082 2.963609 2.963480\n2.963850 0.000101 2.963462\n2.963728 2.963467 0.000225\nTi Mn Ga\n1 2 1\ndirect\n0.749997 0.750001 0.750004 Ti\n0.500000 0.500015 0.499973 Mn\n0.000004 0.999982 0.000023 Mn\n0.249998 0.250002 0.250003 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Ti",
"density": 7.256165795130745,
"density_atomic": 0.07684248990480409,
"volume": 52.05453395582807,
"volume_molar": 7.836993266954907,
"formula_full": "Ti1 Mn2 Ga1",
"formula_reduced": "TiMn2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9001437852729888,
"spacegroup": 225
},
{
"id": "jvasp-79540",
"created_at": "2022-09-04T14:38:01.122170Z",
"updated_at": "2022-09-04T14:38:01.122198Z",
"structure_string": "Ti2 Mn1 Ga1\n1.0\n-3.041998 -3.041998 0.000000\n-3.041998 0.000000 -3.041998\n0.000000 -3.041998 -3.041998\nTi Mn Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Ti",
"density": 6.500460977866578,
"density_atomic": 0.0710482234791223,
"volume": 56.299789130905005,
"volume_molar": 8.4761313726157,
"formula_full": "Ti2 Mn1 Ga1",
"formula_reduced": "Ti2MnGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.810309058261494,
"spacegroup": 216
},
{
"id": "jvasp-85029",
"created_at": "2022-09-04T14:36:31.675589Z",
"updated_at": "2022-09-04T14:36:31.675616Z",
"structure_string": "Ti1 Mn2 Cr1\n1.0\n-8.645423 0.000000 -4.991438\n-8.668261 -0.005469 5.030993\n-5.768650 8.195869 0.008721\nTi Mn Cr\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.772332 -0.000000 -0.000000 Mn\n0.227669 -0.000000 -0.000000 Mn\n0.500000 -0.000000 -0.000000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Cr"
],
"chemical_system": "Cr-Mn-Ti",
"density": 0.4896738966313389,
"density_atomic": 0.005623908689703025,
"volume": 711.2491010609248,
"volume_molar": 107.08105505030885,
"formula_full": "Ti1 Mn2 Cr1",
"formula_reduced": "TiMn2Cr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.093190054022989,
"spacegroup": 71
},
{
"id": "jvasp-40935",
"created_at": "2022-09-04T14:37:49.939564Z",
"updated_at": "2022-09-04T14:37:49.939595Z",
"structure_string": "Ti2 Mn1 Co1\n1.0\n0.000000 2.957997 2.957997\n2.957997 -0.000000 2.957997\n2.957997 2.957997 -0.000000\nTi Mn Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.750001 0.750001 0.750001 Mn\n0.250001 0.250001 0.250001 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Co"
],
"chemical_system": "Co-Mn-Ti",
"density": 6.7240053410635285,
"density_atomic": 0.07727460754105167,
"volume": 51.76344632840774,
"volume_molar": 7.7931690003094145,
"formula_full": "Ti2 Mn1 Co1",
"formula_reduced": "Ti2MnCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.685148702011494,
"spacegroup": 225
},
{
"id": "jvasp-79958",
"created_at": "2022-09-04T14:37:03.430378Z",
"updated_at": "2022-09-04T14:37:03.430394Z",
"structure_string": "Ti1 Mn1 Co2\n1.0\n0.000005 2.911132 2.911132\n2.911132 0.000004 2.911131\n2.911131 2.911131 0.000004\nTi Mn Co\n1 1 2\ndirect\n0.749998 0.750001 0.750000 Ti\n0.250002 0.250001 0.250002 Mn\n0.999998 0.000001 0.000001 Co\n0.499999 0.500001 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Co"
],
"chemical_system": "Co-Mn-Ti",
"density": 7.426440740176434,
"density_atomic": 0.08106726001685974,
"volume": 49.341744116775516,
"volume_molar": 7.4285732103781,
"formula_full": "Ti1 Mn1 Co2",
"formula_reduced": "TiMnCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.587164343678161,
"spacegroup": 225
},
{
"id": "jvasp-86858",
"created_at": "2022-09-04T14:35:40.821999Z",
"updated_at": "2022-09-04T14:35:40.822013Z",
"structure_string": "Ti8 Mn2 Bi4\n1.0\n4.756501 -0.000000 1.595918\n2.378250 7.440992 0.797960\n0.011300 -0.000000 7.852456\nTi Mn Bi\n8 2 4\ndirect\n0.691346 0.888065 0.729242 Ti\n0.308654 0.111934 0.270759 Ti\n0.579412 0.729241 0.111935 Ti\n0.079412 0.111934 0.729242 Ti\n0.808654 0.270759 0.111935 Ti\n0.420588 0.270759 0.888066 Ti\n0.920588 0.888065 0.270759 Ti\n0.191346 0.729241 0.888066 Ti\n0.250000 0.000000 0.000000 Mn\n0.750000 0.000000 0.000000 Mn\n0.139596 0.500000 0.220809 Bi\n0.360404 0.779191 0.500000 Bi\n0.860404 0.500000 0.779192 Bi\n0.639596 0.220809 0.500000 Bi\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Mn",
"Bi"
],
"chemical_system": "Bi-Mn-Ti",
"density": 7.942785684542226,
"density_atomic": 0.0503980619393331,
"volume": 277.78845973983215,
"volume_molar": 11.94915147183473,
"formula_full": "Ti8 Mn2 Bi4",
"formula_reduced": "Ti4MnBi2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.4411855963875206,
"spacegroup": 140
}
]
}