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=-formula_anonymous&page=1528",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=1526",
"results": [
{
"id": "jvasp-26952",
"created_at": "2022-09-04T14:38:28.587528Z",
"updated_at": "2022-09-04T14:38:28.587554Z",
"structure_string": "Ca4 In2 N2\n1.0\n3.440294 0.000000 -0.601422\n0.000000 4.982148 -0.000000\n0.015955 -0.000000 10.231687\nCa In N\n4 2 2\ndirect\n0.781702 0.250000 0.563404 Ca\n0.218298 0.750000 0.436597 Ca\n0.620761 0.250000 0.241523 Ca\n0.379239 0.750000 0.758477 Ca\n0.959405 0.250000 0.918809 In\n0.040595 0.750000 0.081192 In\n0.199288 0.250000 0.398576 N\n0.800712 0.750000 0.601425 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"In",
"N"
],
"chemical_system": "Ca-In-N",
"density": 3.9564662869333262,
"density_atomic": 0.0456049709860115,
"volume": 175.41947351427666,
"volume_molar": 13.205009519350824,
"formula_full": "Ca4 In2 N2",
"formula_reduced": "Ca2InN",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.730856015,
"spacegroup": 63
},
{
"id": "jvasp-22944",
"created_at": "2022-09-04T14:38:28.581224Z",
"updated_at": "2022-09-04T14:38:28.581250Z",
"structure_string": "K8 Ga8 S16\n1.0\n7.341067 0.006048 -0.923365\n-0.122210 7.340047 -0.923365\n-0.006127 -0.006233 14.804676\nK Ga S\n8 8 16\ndirect\n0.672941 0.549488 0.448462 K\n0.242115 0.117890 0.724387 K\n0.672879 0.047722 0.446786 K\n0.047722 0.672880 0.946787 K\n0.744111 0.118610 0.726098 K\n0.118609 0.744112 0.226098 K\n0.549487 0.672942 0.948463 K\n0.117890 0.242115 0.224387 K\n0.808715 0.186561 -0.001606 Ga\n0.186532 0.314079 0.498259 Ga\n0.314079 0.186532 -0.001741 Ga\n0.605421 0.477664 0.174689 Ga\n0.477664 0.605421 0.674689 Ga\n0.982970 0.605340 0.674377 Ga\n0.605339 0.982971 0.174377 Ga\n0.186561 0.808715 0.498394 Ga\n0.840239 0.464948 0.086778 S\n0.037866 0.163562 0.904734 S\n0.163561 0.037867 0.404735 S\n0.839897 0.951648 0.086263 S\n0.537339 0.163202 0.901955 S\n0.326779 0.464945 0.086596 S\n0.464945 0.326779 0.586597 S\n0.628778 0.753964 0.268136 S\n0.753963 0.628779 0.768136 S\n0.951568 0.326862 0.586083 S\n0.326861 0.951567 0.086083 S\n0.254252 0.629624 0.770899 S\n0.629624 0.254252 0.270899 S\n0.464946 0.840239 0.586778 S\n0.951648 0.839898 0.586263 S\n0.163202 0.537339 0.401954 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"Ga",
"S"
],
"chemical_system": "Ga-K-S",
"density": 2.8803548655140427,
"density_atomic": 0.04011742599187357,
"volume": 797.6583544139177,
"volume_molar": 15.011284027095561,
"formula_full": "K8 Ga8 S16",
"formula_reduced": "KGaS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.31610758125,
"spacegroup": 15
},
{
"id": "jvasp-108174",
"created_at": "2022-09-04T14:38:28.524804Z",
"updated_at": "2022-09-04T14:38:28.524841Z",
"structure_string": "Li2 Os2 N4\n1.0\n3.266151 -0.000000 -4.603000\n-3.266151 3.266151 0.000000\n0.000000 0.000000 9.206000\nLi Os N\n2 2 4\ndirect\n-0.000000 0.500000 0.750000 Li\n-0.000000 -0.000000 0.500000 Li\n-0.000000 0.500000 0.250000 Os\n0.000000 0.000000 0.000000 Os\n0.500000 0.038083 0.125000 N\n0.500000 0.961917 0.625000 N\n0.423834 0.461917 0.336917 N\n0.576165 0.538083 0.913083 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Os",
"N"
],
"chemical_system": "Li-N-Os",
"density": 7.615070093988945,
"density_atomic": 0.08146039249453471,
"volume": 98.20723611829798,
"volume_molar": 7.392722494436831,
"formula_full": "Li2 Os2 N4",
"formula_reduced": "LiOsN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.211420375,
"spacegroup": 122
},
{
"id": "jvasp-109579",
"created_at": "2022-09-04T14:38:16.390884Z",
"updated_at": "2022-09-04T14:38:16.390910Z",
"structure_string": "Nd2 Ag1 Ru1\n1.0\n4.421814 -0.000000 2.552935\n1.473938 4.168926 2.552935\n-0.000000 -0.000000 5.105871\nNd Ag Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.749999 0.750001 0.750001 Nd\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Ag",
"Ru"
],
"chemical_system": "Ag-Nd-Ru",
"density": 8.775659551628737,
"density_atomic": 0.042497706857482415,
"volume": 94.12272557232662,
"volume_molar": 14.170507552785061,
"formula_full": "Nd2 Ag1 Ru1",
"formula_reduced": "Nd2AgRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.80682269,
"spacegroup": 225
},
{
"id": "jvasp-46073",
"created_at": "2022-09-04T14:38:16.406549Z",
"updated_at": "2022-09-04T14:38:16.406569Z",
"structure_string": "Yb2 Sc2 O4\n1.0\n1.586038 -2.747097 -0.000000\n1.586038 2.747097 0.000000\n-0.000000 0.000000 10.841247\nYb Sc O\n2 2 4\ndirect\n0.666668 0.333334 0.000000 Yb\n0.333334 0.666668 0.500000 Yb\n0.000000 0.000000 0.250006 Sc\n0.000000 0.000000 0.749994 Sc\n0.666668 0.333334 0.365873 O\n0.666668 0.333334 0.634128 O\n0.333334 0.666668 0.865867 O\n0.333334 0.666668 0.134134 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Yb",
"Sc",
"O"
],
"chemical_system": "O-Sc-Yb",
"density": 8.788466418582143,
"density_atomic": 0.08468240217101013,
"volume": 94.47063138153031,
"volume_molar": 7.1114429983206096,
"formula_full": "Yb2 Sc2 O4",
"formula_reduced": "YbScO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8148457374999998,
"spacegroup": 194
},
{
"id": "jvasp-118773",
"created_at": "2022-09-04T14:38:28.892086Z",
"updated_at": "2022-09-04T14:38:28.892101Z",
"structure_string": "Sr1 Ti1 N2\n1.0\n3.186153 0.000000 0.000000\n0.000000 3.186153 -0.000000\n0.000000 -0.000000 5.682235\nSr Ti N\n1 1 2\ndirect\n0.500000 0.500000 0.539835 Sr\n0.000000 0.000000 0.074563 Ti\n0.000000 0.000000 0.383835 N\n0.500000 0.500000 0.011767 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ti",
"N"
],
"chemical_system": "N-Sr-Ti",
"density": 4.706688669762189,
"density_atomic": 0.06934378556284941,
"volume": 57.683611696892704,
"volume_molar": 8.684470729596757,
"formula_full": "Sr1 Ti1 N2",
"formula_reduced": "SrTiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.089387785833334,
"spacegroup": 99
},
{
"id": "jvasp-110046",
"created_at": "2022-09-04T14:38:16.633620Z",
"updated_at": "2022-09-04T14:38:16.633635Z",
"structure_string": "Ti2 Mn1 Tc1\n1.0\n3.720786 -0.000000 2.148197\n1.240262 3.507991 2.148197\n-0.000000 -0.000000 4.296394\nTi Mn Tc\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Tc"
],
"chemical_system": "Mn-Tc-Ti",
"density": 7.363406881163114,
"density_atomic": 0.07132844019815902,
"volume": 56.07861308739567,
"volume_molar": 8.442832540946872,
"formula_full": "Ti2 Mn1 Tc1",
"formula_reduced": "Ti2MnTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.237291352011495,
"spacegroup": 225
},
{
"id": "jvasp-18190",
"created_at": "2022-09-04T14:38:16.700161Z",
"updated_at": "2022-09-04T14:38:16.700177Z",
"structure_string": "Mn2 Co1 Ge1\n1.0\n3.508224 0.000000 2.025473\n1.169408 3.307585 2.025473\n0.000000 0.000000 4.050948\nMn Co Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.750001 0.749999 Mn\n0.500000 0.500001 0.499999 Co\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Mn",
"density": 8.52943028273578,
"density_atomic": 0.0850951863998972,
"volume": 47.00618412423893,
"volume_molar": 7.076946434666104,
"formula_full": "Mn2 Co1 Ge1",
"formula_reduced": "Mn2CoGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.111947833189655,
"spacegroup": 216
},
{
"id": "jvasp-108622",
"created_at": "2022-09-04T14:38:28.475567Z",
"updated_at": "2022-09-04T14:38:28.475594Z",
"structure_string": "Er1 Tl1 Rh2\n1.0\n4.071829 -0.000000 2.350871\n1.357276 3.838957 2.350871\n-0.000000 -0.000000 4.701743\nEr Tl Rh\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Er\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.249999 Rh\n0.750001 0.750001 0.749998 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Tl",
"Rh"
],
"chemical_system": "Er-Rh-Tl",
"density": 13.046808852349802,
"density_atomic": 0.05442498598921615,
"volume": 73.49565511679812,
"volume_molar": 11.065029509044313,
"formula_full": "Er1 Tl1 Rh2",
"formula_reduced": "ErTlRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4788296500000002,
"spacegroup": 225
},
{
"id": "jvasp-12751",
"created_at": "2022-09-04T14:38:16.461314Z",
"updated_at": "2022-09-04T14:38:16.461334Z",
"structure_string": "Se4 O4 F8\n1.0\n5.447295 0.000000 0.000000\n0.000000 6.087027 0.000000\n0.000000 0.000000 7.498739\nSe O F\n4 4 8\ndirect\n0.460180 0.751813 0.810852 Se\n0.539819 0.251813 0.189148 Se\n0.039820 0.251813 0.810852 Se\n0.960179 0.751813 0.189148 Se\n0.267354 0.383801 0.906298 O\n0.232645 0.883801 0.906298 O\n0.767354 0.383801 0.093702 O\n0.732645 0.883801 0.093702 O\n0.128472 0.983034 0.275263 F\n0.628471 0.983034 0.724737 F\n0.871527 0.483034 0.724737 F\n0.371528 0.483034 0.275263 F\n0.833491 0.699354 0.402015 F\n0.166508 0.199354 0.597986 F\n0.666508 0.199354 0.402015 F\n0.333491 0.699354 0.597986 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Se",
"O",
"F"
],
"chemical_system": "F-O-Se",
"density": 3.5517577971075136,
"density_atomic": 0.06434956587931233,
"volume": 248.6419260389109,
"volume_molar": 9.358479234023942,
"formula_full": "Se4 O4 F8",
"formula_reduced": "SeOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5240643579166666,
"spacegroup": 29
},
{
"id": "jvasp-115476",
"created_at": "2022-09-04T14:38:28.512450Z",
"updated_at": "2022-09-04T14:38:28.512482Z",
"structure_string": "B1 Br1 N2\n1.0\n2.667285 0.000000 0.000000\n0.000000 2.667285 0.000000\n0.000000 0.000000 6.085138\nB Br N\n1 1 2\ndirect\n0.499999 0.499999 0.573918 B\n0.000000 0.000000 0.154063 Br\n0.000000 0.000000 0.479064 N\n0.499999 0.499999 0.802956 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"Br",
"N"
],
"chemical_system": "B-Br-N",
"density": 4.554014779544221,
"density_atomic": 0.09239547752690386,
"volume": 43.29216220388356,
"volume_molar": 6.517787364913465,
"formula_full": "B1 Br1 N2",
"formula_reduced": "BBrN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0340682970833335,
"spacegroup": 99
},
{
"id": "jvasp-56735",
"created_at": "2022-09-04T14:38:16.702407Z",
"updated_at": "2022-09-04T14:38:16.702438Z",
"structure_string": "Li2 In1 Ir1\n1.0\n3.740737 -0.000000 2.159716\n1.246913 3.526801 2.159716\n-0.000000 -0.000000 4.319431\nLi In Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750001 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Ir"
],
"chemical_system": "In-Ir-Li",
"density": 9.351411103344013,
"density_atomic": 0.07019324496792129,
"volume": 56.9855404437852,
"volume_molar": 8.579373645928683,
"formula_full": "Li2 In1 Ir1",
"formula_reduced": "Li2InIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3177627675,
"spacegroup": 225
}
]
}