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=updated_at&page=4459",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=4457",
"results": [
{
"id": "jvasp-117922",
"created_at": "2022-09-04T14:38:50.320940Z",
"updated_at": "2022-09-04T14:38:50.320963Z",
"structure_string": "Sr1 C1 N1\n1.0\n4.288684 0.000000 -0.000000\n-2.144342 3.714110 0.000000\n-0.000000 0.000000 4.179320\nSr C N\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 C\n0.333332 0.666667 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"C",
"N"
],
"chemical_system": "C-N-Sr",
"density": 2.834561938009064,
"density_atomic": 0.04506473482197248,
"volume": 66.57090099057395,
"volume_molar": 13.363311209508659,
"formula_full": "Sr1 C1 N1",
"formula_reduced": "SrCN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.828776519999999,
"spacegroup": 187
},
{
"id": "jvasp-119645",
"created_at": "2022-09-04T14:38:50.324901Z",
"updated_at": "2022-09-04T14:38:50.324912Z",
"structure_string": "Ta1 Nb1 Cu3 O8\n1.0\n5.224224 0.001239 0.672442\n2.020361 4.866462 1.553497\n-0.005859 0.019609 6.029318\nTa Nb Cu O\n1 1 3 8\ndirect\n0.776717 0.464717 0.349240 Ta\n0.220623 0.537687 0.653130 Nb\n0.999973 0.001052 0.001204 Cu\n0.544909 0.925802 0.760043 Cu\n0.455655 0.075603 0.238354 Cu\n0.763148 0.800485 0.098408 O\n0.240728 0.197148 0.904105 O\n0.737890 0.255363 0.165317 O\n0.261699 0.748845 0.834718 O\n0.827491 0.683082 0.596021 O\n0.168286 0.313096 0.401090 O\n0.637359 0.262307 0.633668 O\n0.365514 0.734815 0.364703 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ta",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Nb-O-Ta",
"density": 6.423755133574256,
"density_atomic": 0.08487974568471547,
"volume": 153.15785756814475,
"volume_molar": 7.094909052118454,
"formula_full": "Ta1 Nb1 Cu3 O8",
"formula_reduced": "TaNbCu3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.71644215,
"spacegroup": 1
},
{
"id": "jvasp-115529",
"created_at": "2022-09-04T14:38:50.329069Z",
"updated_at": "2022-09-04T14:38:50.329086Z",
"structure_string": "Ba1 Ca1 Bi1\n1.0\n3.603369 0.000000 0.000000\n0.000000 3.603369 0.000000\n0.000000 -0.000000 10.161422\nBa Ca Bi\n1 1 1\ndirect\n0.000000 0.000000 -0.030029 Ba\n0.000000 0.000000 0.608995 Ca\n0.000000 0.000000 0.305077 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Bi"
],
"chemical_system": "Ba-Bi-Ca",
"density": 4.862928022064405,
"density_atomic": 0.022737844440867003,
"volume": 131.93862803494528,
"volume_molar": 26.48509965692409,
"formula_full": "Ba1 Ca1 Bi1",
"formula_reduced": "BaCaBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2000783783333333,
"spacegroup": 99
},
{
"id": "jvasp-119646",
"created_at": "2022-09-04T14:38:50.335578Z",
"updated_at": "2022-09-04T14:38:50.335601Z",
"structure_string": "Ta4 Ag1 S8\n1.0\n3.359598 -0.000000 0.000000\n0.000000 5.758954 0.838283\n-0.000000 -0.016421 13.403966\nTa Ag S\n4 1 8\ndirect\n0.500000 0.433519 0.226691 Ta\n-0.000000 0.915968 0.226389 Ta\n0.500000 0.586402 0.773364 Ta\n-0.000000 0.060408 0.774548 Ta\n0.500000 0.347736 0.478006 Ag\n0.500000 0.279381 0.659093 S\n-0.000000 0.779543 0.651833 S\n0.500000 0.726591 0.347813 S\n-0.000000 0.212902 0.343807 S\n0.500000 0.206762 0.886857 S\n-0.000000 0.698377 0.892854 S\n0.500000 0.797745 0.108346 S\n-0.000000 0.293963 0.112499 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ta",
"Ag",
"S"
],
"chemical_system": "Ag-S-Ta",
"density": 6.966394192000269,
"density_atomic": 0.050118916346723504,
"volume": 259.3831021817348,
"volume_molar": 12.015704246952845,
"formula_full": "Ta4 Ag1 S8",
"formula_reduced": "Ta4AgS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.864330312307693,
"spacegroup": 6
},
{
"id": "jvasp-123348",
"created_at": "2022-09-04T14:38:50.337767Z",
"updated_at": "2022-09-04T14:38:50.337795Z",
"structure_string": "Pa1 Ag3\n1.0\n4.454664 0.000000 0.000000\n0.000000 4.454664 -0.000000\n0.000000 -0.000000 4.454664\nPa Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Pa\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pa",
"Ag"
],
"chemical_system": "Ag-Pa",
"density": 10.418754474872811,
"density_atomic": 0.04524964064162548,
"volume": 88.39849208261712,
"volume_molar": 13.308704057331648,
"formula_full": "Pa1 Ag3",
"formula_reduced": "PaAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.09018622,
"spacegroup": 221
},
{
"id": "jvasp-117917",
"created_at": "2022-09-04T14:38:50.339060Z",
"updated_at": "2022-09-04T14:38:50.339089Z",
"structure_string": "Si1 C1 N1\n1.0\n3.529517 -0.000000 -0.000000\n-1.764759 3.056652 0.000000\n-0.000000 0.000000 2.817544\nSi C N\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Si\n0.000000 0.000000 0.000000 C\n0.333334 0.666667 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Si",
"C",
"N"
],
"chemical_system": "C-N-Si",
"density": 2.9555455709830727,
"density_atomic": 0.0986936640579645,
"volume": 30.39708808701284,
"volume_molar": 6.101851438470349,
"formula_full": "Si1 C1 N1",
"formula_reduced": "SiCN",
"formula_anonymous": "ABC",
"energy_above_hull": 4.9830772833333326,
"spacegroup": 187
},
{
"id": "jvasp-121968",
"created_at": "2022-09-04T14:38:50.339416Z",
"updated_at": "2022-09-04T14:38:50.339425Z",
"structure_string": "Nd4 H10\n1.0\n4.953096 -0.017790 -4.501186\n-0.981490 4.854910 -4.501186\n0.014607 0.017790 6.692803\nNd H\n4 10\ndirect\n0.495958 0.995958 0.499999 Nd\n0.745958 0.745958 -0.000000 Nd\n0.004043 0.504043 0.500000 Nd\n0.254043 0.254043 -0.000000 Nd\n0.375001 0.354840 0.479840 H\n0.875001 0.895160 0.520159 H\n0.645160 0.125000 0.020160 H\n0.104841 0.625000 0.979840 H\n0.375000 0.895160 0.020159 H\n0.875001 0.354840 0.979840 H\n0.645161 0.625000 0.520159 H\n0.104841 0.125000 0.479840 H\n0.250001 0.750000 0.499999 H\n0.500000 0.500000 -0.000000 H\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nd",
"H"
],
"chemical_system": "H-Nd",
"density": 6.031545474604874,
"density_atomic": 0.0866232304330954,
"volume": 161.61946316251834,
"volume_molar": 6.952108262288001,
"formula_full": "Nd4 H10",
"formula_reduced": "Nd2H5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.537870428571429,
"spacegroup": 141
},
{
"id": "jvasp-119294",
"created_at": "2022-09-04T14:38:50.349587Z",
"updated_at": "2022-09-04T14:38:50.349608Z",
"structure_string": "V2 Cu2 O8\n1.0\n5.124980 -0.147462 -2.339261\n-1.836972 4.490752 -2.866061\n0.089936 0.147630 5.632198\nV Cu O\n2 2 8\ndirect\n0.037283 0.787286 0.249978 V\n0.962719 0.212712 0.750014 V\n0.499999 0.500002 0.500000 Cu\n0.500002 0.000005 -0.000000 Cu\n0.324490 0.268438 0.056028 O\n0.830287 0.839315 0.509244 O\n0.169704 0.160689 0.490763 O\n0.169753 0.678920 0.009020 O\n0.287792 0.731730 0.556057 O\n0.675512 0.731569 0.943973 O\n0.830258 0.321102 0.990988 O\n0.712209 0.268277 0.443944 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-V",
"density": 4.494541078767093,
"density_atomic": 0.09098829774796231,
"volume": 131.88509178663847,
"volume_molar": 6.618588224038805,
"formula_full": "V2 Cu2 O8",
"formula_reduced": "VCuO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.241314775,
"spacegroup": 74
},
{
"id": "jvasp-115827",
"created_at": "2022-09-04T14:38:50.352383Z",
"updated_at": "2022-09-04T14:38:50.352409Z",
"structure_string": "Cd1 S1 F2\n1.0\n3.166023 0.000000 0.000000\n0.000000 3.166023 0.000000\n0.000000 -0.000000 5.789587\nCd S F\n1 1 2\ndirect\n0.499999 0.499999 0.532206 Cd\n0.000000 0.000000 0.909100 S\n0.000000 0.000000 0.425735 F\n0.499999 0.499999 0.142960 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"S",
"F"
],
"chemical_system": "Cd-F-S",
"density": 5.2212144759370975,
"density_atomic": 0.06892619046847481,
"volume": 58.03309268672703,
"volume_molar": 8.737086322439918,
"formula_full": "Cd1 S1 F2",
"formula_reduced": "CdSF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3308025353125,
"spacegroup": 99
},
{
"id": "jvasp-119666",
"created_at": "2022-09-04T14:38:50.354520Z",
"updated_at": "2022-09-04T14:38:50.354529Z",
"structure_string": "Al2 Cu2 Sn2 S8\n1.0\n6.331062 0.008301 -3.560649\n-2.093230 5.893746 -3.693614\n0.007673 -0.008301 7.263643\nAl Cu Sn S\n2 2 2 8\ndirect\n-0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000001 Al\n0.384153 0.634153 0.750000 Cu\n0.615847 0.365847 0.250000 Cu\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 0.500000 Sn\n0.239251 0.737158 0.997905 S\n0.239251 0.241347 0.502095 S\n0.227913 0.749973 0.477941 S\n0.772032 0.749973 0.022060 S\n0.760748 0.262843 0.002095 S\n0.760748 0.758654 0.497906 S\n0.772087 0.250028 0.522059 S\n0.227968 0.250028 0.977940 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Al",
"Cu",
"Sn",
"S"
],
"chemical_system": "Al-Cu-S-Sn",
"density": 4.13501924739044,
"density_atomic": 0.05164828059338619,
"volume": 271.06420270247617,
"volume_molar": 11.659905597653456,
"formula_full": "Al2 Cu2 Sn2 S8",
"formula_reduced": "AlCuSnS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4037935642857144,
"spacegroup": 74
},
{
"id": "jvasp-118418",
"created_at": "2022-09-04T14:38:50.354757Z",
"updated_at": "2022-09-04T14:38:50.354782Z",
"structure_string": "H1 I1 N2\n1.0\n3.509305 -0.000000 0.000000\n0.000000 3.509305 0.000000\n0.000000 -0.000000 4.533107\nH I N\n1 1 2\ndirect\n0.499999 0.499999 0.678160 H\n0.000000 0.000000 0.010893 I\n0.000000 0.000000 0.411694 N\n0.499999 0.499999 0.909253 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"H",
"I",
"N"
],
"chemical_system": "H-I-N",
"density": 4.637980363831834,
"density_atomic": 0.07165092322499662,
"volume": 55.82621716456171,
"volume_molar": 8.404833446582968,
"formula_full": "H1 I1 N2",
"formula_reduced": "HIN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4817656937499994,
"spacegroup": 99
},
{
"id": "jvasp-119059",
"created_at": "2022-09-04T14:38:50.357239Z",
"updated_at": "2022-09-04T14:38:50.357253Z",
"structure_string": "Nb16 Rh8 C4\n1.0\n7.349014 0.000000 4.242955\n2.449671 6.928717 4.242955\n-0.000000 0.000000 8.485911\nNb Rh C\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Nb\n0.432938 0.067062 0.067062 Nb\n0.067062 0.432938 0.432938 Nb\n0.432938 0.067062 0.432939 Nb\n0.067062 0.067062 0.432938 Nb\n0.432938 0.432938 0.067062 Nb\n0.817061 0.182938 0.182939 Nb\n0.182938 0.817062 0.817062 Nb\n0.067062 0.432938 0.067062 Nb\n0.817061 0.182938 0.817062 Nb\n0.182938 0.182938 0.817062 Nb\n0.817061 0.817062 0.182939 Nb\n0.624999 0.625000 0.625001 Nb\n0.624999 0.625000 0.125001 Nb\n0.625000 0.125000 0.625001 Nb\n0.182938 0.817062 0.182939 Nb\n0.837739 0.837740 0.837741 Rh\n0.837739 0.837740 0.486782 Rh\n0.837739 0.486781 0.837741 Rh\n0.486781 0.837740 0.837741 Rh\n0.412260 0.412260 0.763219 Rh\n0.412260 0.763219 0.412261 Rh\n0.763218 0.412260 0.412261 Rh\n0.412260 0.412260 0.412261 Rh\n0.125000 0.125000 0.625000 C\n0.625000 0.125000 0.125001 C\n0.125000 0.625000 0.125000 C\n0.125000 0.125000 0.125000 C\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Nb",
"Rh",
"C"
],
"chemical_system": "C-Nb-Rh",
"density": 9.060948085225627,
"density_atomic": 0.06480039614911867,
"volume": 432.09612385032955,
"volume_molar": 9.293370284560991,
"formula_full": "Nb16 Rh8 C4",
"formula_reduced": "Nb4Rh2C",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.448429085714285,
"spacegroup": 227
}
]
}