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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4063",
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"results": [
{
"id": "jvasp-41631",
"created_at": "2022-09-04T14:37:36.829836Z",
"updated_at": "2022-09-04T14:37:36.829860Z",
"structure_string": "Ti1 Mn2 Al1\n1.0\n-0.000000 2.972353 2.972353\n2.972353 -0.000000 2.972353\n2.972353 2.972353 -0.000000\nTi Mn Al\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250001 0.250001 0.250001 Al\n",
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"density_atomic": 0.07616033388202105,
"volume": 52.52077815462766,
"volume_molar": 7.90718797179752,
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},
{
"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",
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],
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"density_atomic": 0.005623908689703025,
"volume": 711.2491010609248,
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"formula_full": "Ti1 Mn2 Cr1",
"formula_reduced": "TiMn2Cr",
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"energy_above_hull": 5.093190054022989,
"spacegroup": 71
},
{
"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": [
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"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",
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"spacegroup": 225
},
{
"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-34353",
"created_at": "2022-09-04T14:37:12.986463Z",
"updated_at": "2022-09-04T14:37:12.986483Z",
"structure_string": "Ti4 Mn8 O16\n1.0\n5.940034 0.000000 0.000000\n-0.000000 5.940034 -0.000000\n-0.000000 0.000000 8.459342\nTi Mn O\n4 8 16\ndirect\n0.500000 0.238355 0.000000 Ti\n0.761645 0.500000 0.750000 Ti\n0.238355 0.500000 0.250000 Ti\n0.500000 0.761645 0.500000 Ti\n0.751950 0.751950 0.125000 Mn\n0.248049 0.751950 0.875000 Mn\n0.248049 0.248049 0.625000 Mn\n0.751950 0.248049 0.375000 Mn\n0.249803 0.000000 0.250000 Mn\n0.750196 0.000000 0.750000 Mn\n0.000000 0.249803 0.000000 Mn\n0.000000 0.750196 0.500000 Mn\n0.249805 0.477537 0.010220 O\n0.750194 0.522463 0.510219 O\n0.750194 0.477537 0.989780 O\n0.249805 0.522463 0.489780 O\n0.477537 0.750194 0.260219 O\n0.522463 0.249805 0.760219 O\n0.981340 0.756957 0.735379 O\n0.981340 0.243042 0.764620 O\n0.756957 0.981340 0.514620 O\n0.756957 0.018659 -0.014620 O\n0.243042 0.981340 0.485379 O\n0.018659 0.756957 0.264620 O\n0.477537 0.249805 0.239780 O\n0.243042 0.018659 1.014620 O\n0.018659 0.243042 0.235380 O\n0.522463 0.750194 0.739780 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.934464608937499,
"density_atomic": 0.09380880127310166,
"volume": 298.4794562983996,
"volume_molar": 6.4195903564186825,
"formula_full": "Ti4 Mn8 O16",
"formula_reduced": "TiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.265065259441708,
"spacegroup": 95
},
{
"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
},
{
"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,
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"elements": [
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"O"
],
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"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-39655",
"created_at": "2022-09-04T14:37:42.298210Z",
"updated_at": "2022-09-04T14:37:42.298229Z",
"structure_string": "Ti1 Mn2 Si1\n1.0\n0.000000 2.891954 2.891954\n2.891954 -0.000000 2.891954\n2.891954 2.891954 0.000000\nTi Mn Si\n1 2 1\ndirect\n0.749998 0.749998 0.749998 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
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"elements": [
"Ti",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 6.379071813636646,
"density_atomic": 0.08269054485780472,
"volume": 48.373124241452636,
"volume_molar": 7.2827440795749006,
"formula_full": "Ti1 Mn2 Si1",
"formula_reduced": "TiMn2Si",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-39672",
"created_at": "2022-09-04T14:37:46.499249Z",
"updated_at": "2022-09-04T14:37:46.499273Z",
"structure_string": "Ti1 Mn2 V1\n1.0\n0.000008 2.914735 2.914737\n2.914734 0.000007 2.914738\n2.914732 2.914734 0.000009\nTi Mn V\n1 2 1\ndirect\n0.250002 0.250001 0.250000 Ti\n0.000003 0.999998 0.000000 Mn\n0.500000 0.500001 0.499999 Mn\n0.750003 0.750001 0.749999 V\n",
"nsites": 4,
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"elements": [
"Ti",
"Mn",
"V"
],
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"density": 6.997034934991712,
"density_atomic": 0.08076711231187551,
"volume": 49.52510849409016,
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"formula_full": "Ti1 Mn2 V1",
"formula_reduced": "TiMn2V",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.086419254022989,
"spacegroup": 225
},
{
"id": "jvasp-79988",
"created_at": "2022-09-04T14:36:53.040332Z",
"updated_at": "2022-09-04T14:36:53.040361Z",
"structure_string": "Ti1 Mn2 W1\n1.0\n-0.000000 2.973901 2.973901\n2.973901 0.000000 2.973901\n2.973901 2.973901 -0.000000\nTi Mn W\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Ti\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Mn\n0.750000 0.750000 0.750000 W\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.782909094350424,
"density_atomic": 0.07604146492252054,
"volume": 52.60287928534311,
"volume_molar": 7.9195485859406105,
"formula_full": "Ti1 Mn2 W1",
"formula_reduced": "TiMn2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.978115704022988,
"spacegroup": 225
},
{
"id": "jvasp-44636",
"created_at": "2022-09-04T14:38:34.307182Z",
"updated_at": "2022-09-04T14:38:34.307210Z",
"structure_string": "Ti2 Mn6 O16\n1.0\n2.853628 -4.942630 -0.000000\n2.853628 4.942630 -0.000000\n-0.000000 0.000000 8.967880\nTi Mn O\n2 6 16\ndirect\n0.666667 0.333333 0.504722 Ti\n0.333333 0.666667 0.004722 Ti\n0.335894 0.167947 0.786684 Mn\n0.832054 0.664106 0.786684 Mn\n0.832054 0.167947 0.786684 Mn\n0.167947 0.832054 0.286684 Mn\n0.167947 0.335894 0.286684 Mn\n0.664106 0.832054 0.286684 Mn\n0.165259 0.330518 0.899441 O\n0.333333 0.666667 0.397228 O\n0.481102 0.962204 0.166442 O\n0.037796 0.518898 0.166442 O\n0.834741 0.165259 0.399441 O\n0.165259 0.834741 0.899441 O\n0.962204 0.481102 0.666442 O\n0.000000 0.000000 0.682508 O\n0.834741 0.669482 0.399441 O\n0.000000 0.000000 0.182508 O\n0.481102 0.518898 0.166442 O\n0.666667 0.333333 0.897228 O\n0.518898 0.481102 0.666442 O\n0.330518 0.165259 0.399441 O\n0.518898 0.037796 0.666442 O\n0.669482 0.834741 0.899441 O\n",
"nsites": 24,
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],
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"volume": 252.97362409580825,
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"formula_full": "Ti2 Mn6 O16",
"formula_reduced": "TiMn3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4656890047892723,
"spacegroup": 186
},
{
"id": "jvasp-112831",
"created_at": "2022-09-04T14:38:43.655941Z",
"updated_at": "2022-09-04T14:38:43.655965Z",
"structure_string": "Ti1 Mn3 O8\n1.0\n4.872974 -0.127417 2.701160\n1.532426 4.627503 2.701160\n-0.181365 -0.127417 5.568594\nTi Mn O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.499999 0.000000 Mn\n0.499999 -0.000001 0.500000 Mn\n0.000000 0.499999 0.500000 Mn\n0.738175 0.738174 0.738175 O\n0.242735 0.242735 0.730236 O\n0.242736 0.730235 0.242735 O\n0.261825 0.261825 0.261825 O\n0.730235 0.242735 0.242736 O\n0.757265 0.757264 0.269765 O\n0.757264 0.269763 0.757265 O\n0.269764 0.757263 0.757265 O\n",
"nsites": 12,
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],
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"volume": 130.1365863257901,
"volume_molar": 6.5308403406649935,
"formula_full": "Ti1 Mn3 O8",
"formula_reduced": "TiMn3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4700548381226053,
"spacegroup": 166
}
]
}