HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3528",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3526",
"results": [
{
"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-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-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-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-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-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-39684",
"created_at": "2022-09-04T14:37:48.701928Z",
"updated_at": "2022-09-04T14:37:48.701946Z",
"structure_string": "Ti2 Mn1 Ni1\n1.0\n-0.000000 2.978870 2.978870\n2.978870 0.000000 2.978870\n2.978870 2.978870 0.000000\nTi Mn Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500001 Ti\n0.250000 0.250000 0.250000 Mn\n0.750001 0.750001 0.750001 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni-Ti",
"density": 6.576115831007533,
"density_atomic": 0.07566156908476934,
"volume": 52.86699771608621,
"volume_molar": 7.95931254512174,
"formula_full": "Ti2 Mn1 Ni1",
"formula_reduced": "Ti2MnNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1368965770114947,
"spacegroup": 225
},
{
"id": "jvasp-30375",
"created_at": "2022-09-04T14:37:19.054831Z",
"updated_at": "2022-09-04T14:37:19.054862Z",
"structure_string": "Ti1 Mn2 O6\n1.0\n14.325244 -0.286696 -0.175357\n8.717386 2.607592 -0.120031\n8.717386 1.080864 2.376063\nTi Mn O\n1 2 6\ndirect\n0.666668 -0.000001 -0.000001 Ti\n0.995252 0.003553 0.003552 Mn\n0.338085 0.996445 0.996445 Mn\n0.230030 0.273967 0.273967 O\n0.580644 0.261611 0.261611 O\n0.103305 0.726031 0.726032 O\n0.923985 0.253051 0.253050 O\n0.409352 0.746947 0.746947 O\n0.752693 0.738386 0.738386 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.2479759271079995,
"density_atomic": 0.09073762262341896,
"volume": 99.18708182769979,
"volume_molar": 6.636872981556068,
"formula_full": "Ti1 Mn2 O6",
"formula_reduced": "TiMn2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2773937573435505,
"spacegroup": 12
},
{
"id": "jvasp-11764",
"created_at": "2022-09-04T14:37:17.148409Z",
"updated_at": "2022-09-04T14:37:17.148434Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n4.557329 -0.016858 3.219142\n1.658302 4.244946 3.219142\n-0.024784 -0.016858 5.579562\nTi Mn O\n2 2 6\ndirect\n0.853237 0.853236 0.853235 Ti\n0.146764 0.146764 0.146763 Ti\n0.640354 0.640353 0.640352 Mn\n0.359647 0.359647 0.359646 Mn\n0.048269 0.777180 0.437978 O\n0.777180 0.437979 0.048268 O\n0.437980 0.048269 0.777179 O\n0.951732 0.222820 0.562020 O\n0.562021 0.951732 0.222820 O\n0.222821 0.562021 0.951730 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.61196922308805,
"density_atomic": 0.09208663862578738,
"volume": 108.59338715399328,
"volume_molar": 6.539646630465233,
"formula_full": "Ti2 Mn2 O6",
"formula_reduced": "TiMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.742603214942529,
"spacegroup": 148
},
{
"id": "jvasp-111910",
"created_at": "2022-09-04T14:38:48.413470Z",
"updated_at": "2022-09-04T14:38:48.413481Z",
"structure_string": "Ti4 Mn8 O16\n1.0\n6.154108 -0.000022 0.000083\n-0.000049 6.153975 0.000078\n0.000097 0.000093 8.603594\nTi Mn O\n4 8 16\ndirect\n0.500001 0.244704 0.000003 Ti\n0.755298 0.500000 0.749998 Ti\n0.244705 0.500001 0.249999 Ti\n0.500000 0.755296 0.499999 Ti\n0.748612 0.748597 0.124996 Mn\n0.251396 0.748612 0.874999 Mn\n0.251398 0.251382 0.625001 Mn\n0.748599 0.251409 0.375002 Mn\n0.250242 0.000002 0.250001 Mn\n0.749757 -0.000003 0.750000 Mn\n0.000003 0.250243 0.000001 Mn\n-0.000002 0.749757 0.499998 Mn\n0.266949 0.485580 0.018546 O\n0.733053 0.514428 0.518546 O\n0.733059 0.485577 0.981450 O\n0.266939 0.514417 0.481453 O\n0.485583 0.733063 0.268545 O\n0.514419 0.266944 0.768549 O\n0.968724 0.732499 0.750979 O\n0.968724 0.267515 0.749017 O\n0.732498 0.968723 0.499015 O\n0.732484 0.031278 0.000985 O\n0.267515 0.968718 0.500981 O\n0.031279 0.732483 0.249015 O\n0.485578 0.266949 0.231455 O\n0.267501 0.031280 0.999021 O\n0.031278 0.267503 0.250984 O\n0.514421 0.733050 0.731452 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.520159235693993,
"density_atomic": 0.08593246746485353,
"volume": 325.837262981562,
"volume_molar": 7.0079923661717975,
"formula_full": "Ti4 Mn8 O16",
"formula_reduced": "TiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.259430973727422,
"spacegroup": 95
}
]
}