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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3528",
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"results": [
{
"id": "jvasp-18085",
"created_at": "2022-09-04T14:38:15.054856Z",
"updated_at": "2022-09-04T14:38:15.054872Z",
"structure_string": "Pu2 S1 O2\n1.0\n1.931390 -3.345266 -0.000000\n1.931390 3.345266 0.000000\n-0.000000 0.000000 6.650048\nPu S O\n2 1 2\ndirect\n0.666667 0.333333 0.275183 Pu\n0.333333 0.666667 0.724817 Pu\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.371008 O\n0.666667 0.333333 0.628992 O\n",
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"elements": [
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"density": 10.667998776073048,
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"formula_full": "Pu2 S1 O2",
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"spacegroup": 164
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{
"id": "jvasp-22183",
"created_at": "2022-09-04T14:38:15.537897Z",
"updated_at": "2022-09-04T14:38:15.537924Z",
"structure_string": "Ce2 B4 Ru4\n1.0\n5.262048 0.056634 -1.785504\n-2.417547 4.674165 -1.785504\n-0.025023 -0.041617 5.976969\nCe B Ru\n2 4 4\ndirect\n0.250000 0.750000 0.500001 Ce\n0.000000 0.000000 0.000000 Ce\n0.934230 0.065769 0.500001 B\n0.565770 0.434230 0.500001 B\n0.684230 0.315770 0.000001 B\n0.315770 0.684230 0.000001 B\n0.611766 0.111766 0.223533 Ru\n0.888234 0.388233 0.776469 Ru\n0.361766 0.361765 0.723532 Ru\n0.638235 0.638235 0.276469 Ru\n",
"nsites": 10,
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"elements": [
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"density": 8.218126175494277,
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"volume": 147.0490040121423,
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"formula_full": "Ce2 B4 Ru4",
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"spacegroup": 70
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{
"id": "jvasp-54738",
"created_at": "2022-09-04T14:38:15.530019Z",
"updated_at": "2022-09-04T14:38:15.530047Z",
"structure_string": "Zn4 H8 O8\n1.0\n5.796284 0.000000 0.000000\n0.000000 5.938662 0.000000\n0.000000 0.000000 5.215924\nZn H O\n4 8 8\ndirect\n0.388872 0.099998 0.619778 Zn\n0.611127 0.599998 0.880221 Zn\n0.888872 0.400001 0.380221 Zn\n0.111127 0.900001 0.119778 Zn\n0.124699 0.774812 0.635196 H\n0.875300 0.274812 0.864802 H\n0.375301 0.225188 0.135197 H\n0.624698 0.725188 0.364803 H\n0.302359 0.571775 0.309468 H\n0.197641 0.428224 0.809468 H\n0.802358 0.928224 0.690531 H\n0.697641 0.071776 0.190531 H\n0.881062 0.413474 0.759247 O\n0.638811 0.878510 0.683273 O\n0.361189 0.378511 0.816725 O\n0.138811 0.621489 0.316726 O\n0.861188 0.121489 0.183274 O\n0.381062 0.086526 0.240752 O\n0.618937 0.586526 0.259248 O\n0.118937 0.913474 0.740752 O\n",
"nsites": 20,
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"elements": [
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"H",
"O"
],
"chemical_system": "H-O-Zn",
"density": 3.678149720311853,
"density_atomic": 0.11139366074423765,
"volume": 179.5434306259173,
"volume_molar": 5.406179058812844,
"formula_full": "Zn4 H8 O8",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5436554799999995,
"spacegroup": 19
},
{
"id": "jvasp-109634",
"created_at": "2022-09-04T14:38:27.810178Z",
"updated_at": "2022-09-04T14:38:27.810209Z",
"structure_string": "Nd1 Zn2 Si2\n1.0\n3.868314 -0.031479 -4.779924\n-0.508922 3.834819 -4.779924\n0.027804 0.031479 6.149044\nNd Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.749999 0.250000 0.499999 Zn\n0.250000 0.750000 0.500000 Zn\n0.388600 0.388600 0.000000 Si\n0.611400 0.611400 0.000000 Si\n",
"nsites": 5,
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"elements": [
"Nd",
"Zn",
"Si"
],
"chemical_system": "Nd-Si-Zn",
"density": 5.9596740273192035,
"density_atomic": 0.05417668619277052,
"volume": 92.29062077014251,
"volume_molar": 11.115742182111557,
"formula_full": "Nd1 Zn2 Si2",
"formula_reduced": "Nd(ZnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9375658999999996,
"spacegroup": 139
},
{
"id": "jvasp-57745",
"created_at": "2022-09-04T14:38:27.812100Z",
"updated_at": "2022-09-04T14:38:27.812110Z",
"structure_string": "Y2 Si4 Ir4\n1.0\n4.147530 -0.000000 -0.000000\n0.000000 4.147530 -0.000000\n0.000000 0.000000 9.852355\nY Si Ir\n2 4 4\ndirect\n0.000000 0.500000 0.253749 Y\n0.500000 0.000000 0.746250 Y\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.131002 Si\n0.000000 0.500000 0.868998 Si\n0.500000 0.000000 0.371591 Ir\n0.000000 0.500000 0.628408 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 10,
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"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ir-Si-Y",
"density": 10.37611634065871,
"density_atomic": 0.05900392141839666,
"volume": 169.4802609658776,
"volume_molar": 10.206339875780484,
"formula_full": "Y2 Si4 Ir4",
"formula_reduced": "Y(SiIr)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 129
},
{
"id": "jvasp-21790",
"created_at": "2022-09-04T14:38:27.857633Z",
"updated_at": "2022-09-04T14:38:27.857656Z",
"structure_string": "Co2 Pd4 Se4\n1.0\n4.665483 -0.000000 -1.931740\n-1.143734 5.235088 -2.762313\n0.009908 0.025967 6.623772\nCo Pd Se\n2 4 4\ndirect\n0.749999 0.000000 -0.000000 Co\n0.250000 0.000000 -0.000000 Co\n0.887382 0.265291 0.774764 Pd\n0.112619 0.734710 0.225237 Pd\n0.612619 0.490528 0.225236 Pd\n0.387382 0.509473 0.774765 Pd\n0.642143 0.933831 0.284287 Se\n0.357857 0.066170 0.715714 Se\n0.142143 0.350456 0.284286 Se\n0.857857 0.649545 0.715715 Se\n",
"nsites": 10,
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"elements": [
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"Pd",
"Se"
],
"chemical_system": "Co-Pd-Se",
"density": 8.794117299323405,
"density_atomic": 0.06162468113414997,
"volume": 162.27264492016,
"volume_molar": 9.772287092067023,
"formula_full": "Co2 Pd4 Se4",
"formula_reduced": "Co(PdSe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.9497258066666667,
"spacegroup": 72
},
{
"id": "jvasp-109421",
"created_at": "2022-09-04T14:38:27.161751Z",
"updated_at": "2022-09-04T14:38:27.161782Z",
"structure_string": "Zn2 Cd1 N2\n1.0\n3.454708 0.000008 -0.000600\n-1.727799 2.991994 0.000070\n-0.000218 0.000017 6.098929\nZn Cd N\n2 1 2\ndirect\n0.666671 0.333332 0.148584 Zn\n0.333329 0.666655 0.851417 Zn\n0.000000 -0.000003 0.500000 Cd\n0.666577 0.333300 0.765089 N\n0.333423 0.666680 0.234911 N\n",
"nsites": 5,
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"elements": [
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],
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"density": 7.144641735494929,
"density_atomic": 0.07931289176358496,
"volume": 63.04145377656823,
"volume_molar": 7.59289016715055,
"formula_full": "Zn2 Cd1 N2",
"formula_reduced": "Zn2CdN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1602854099999995,
"spacegroup": 164
},
{
"id": "jvasp-56717",
"created_at": "2022-09-04T14:38:09.559700Z",
"updated_at": "2022-09-04T14:38:09.559740Z",
"structure_string": "Yb1 Si2 Os2\n1.0\n3.925555 -0.000000 -1.544485\n-0.607669 3.878237 -1.544485\n-0.047429 -0.055439 5.640405\nYb Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.369884 0.369884 0.739770 Si\n0.630117 0.630117 0.260233 Si\n0.750001 0.250000 0.500001 Os\n0.250000 0.750000 0.500001 Os\n",
"nsites": 5,
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"elements": [
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"Si",
"Os"
],
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"density": 11.882620790858498,
"density_atomic": 0.05868641859706431,
"volume": 85.19858801283397,
"volume_molar": 10.261557791330695,
"formula_full": "Yb1 Si2 Os2",
"formula_reduced": "Yb(SiOs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5884535800000004,
"spacegroup": 139
},
{
"id": "jvasp-18090",
"created_at": "2022-09-04T14:38:14.972358Z",
"updated_at": "2022-09-04T14:38:14.972381Z",
"structure_string": "U1 Co2 Si2\n1.0\n3.638845 0.000000 -1.367394\n-0.513835 3.602384 -1.367394\n-0.008339 -0.009613 5.503269\nU Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.750000 0.500000 Co\n0.750001 0.250000 0.500001 Co\n0.623560 0.623560 0.247121 Si\n0.376439 0.376440 0.752881 Si\n",
"nsites": 5,
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"elements": [
"U",
"Co",
"Si"
],
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"density": 9.49769420666692,
"density_atomic": 0.0694020008767407,
"volume": 72.04403240304407,
"volume_molar": 8.677186080982649,
"formula_full": "U1 Co2 Si2",
"formula_reduced": "U(CoSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.900686999999999,
"spacegroup": 139
},
{
"id": "jvasp-119234",
"created_at": "2022-09-04T14:38:27.862440Z",
"updated_at": "2022-09-04T14:38:27.862457Z",
"structure_string": "Ca8 Cd4 N8\n1.0\n6.964192 -0.000000 -0.232897\n0.000000 7.480667 0.000000\n0.007284 0.000000 6.359194\nCa Cd N\n8 4 8\ndirect\n0.358608 0.359235 0.917008 Ca\n0.641391 0.859235 0.582991 Ca\n0.641391 0.640765 0.082991 Ca\n0.358608 0.140765 0.417008 Ca\n0.973909 0.139342 0.749078 Ca\n0.026090 0.639342 0.750920 Ca\n0.026090 0.860659 0.250921 Ca\n0.973909 0.360658 0.249079 Ca\n0.680075 0.088866 0.080830 Cd\n0.319925 0.588866 0.419170 Cd\n0.319924 0.911134 0.919169 Cd\n0.680074 0.411134 0.580829 Cd\n0.263333 0.866881 0.571623 N\n0.736666 0.366881 0.928376 N\n0.736666 0.133119 0.428376 N\n0.263333 0.633119 0.071623 N\n0.187322 0.362495 0.592912 N\n0.812677 0.862496 0.907086 N\n0.812677 0.637505 0.407087 N\n0.187322 0.137505 0.092913 N\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.422280036396913,
"density_atomic": 0.06036708807428821,
"volume": 331.30635646012684,
"volume_molar": 9.975867566428096,
"formula_full": "Ca8 Cd4 N8",
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"spacegroup": 14
},
{
"id": "jvasp-110307",
"created_at": "2022-09-04T14:38:14.756205Z",
"updated_at": "2022-09-04T14:38:14.756228Z",
"structure_string": "Ba2 Mn1 N2\n1.0\n3.945725 0.000000 -1.182044\n-0.355748 3.927705 -1.187506\n-0.010732 -0.001521 7.140715\nBa Mn N\n2 1 2\ndirect\n0.142272 0.142272 0.784545 Ba\n0.857726 0.857727 0.215455 Ba\n0.499999 0.499999 0.500000 Mn\n0.632698 0.632698 0.765398 N\n0.367301 0.367301 0.234602 N\n",
"nsites": 5,
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],
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"density": 5.36873441225211,
"density_atomic": 0.04520523218656678,
"volume": 110.60666560376175,
"volume_molar": 13.321778185202074,
"formula_full": "Ba2 Mn1 N2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-17711",
"created_at": "2022-09-04T14:38:30.252646Z",
"updated_at": "2022-09-04T14:38:30.252678Z",
"structure_string": "Mn2 Co2 C1\n1.0\n3.745189 0.000000 0.000000\n0.000000 3.745189 -0.000000\n0.000000 -0.000000 3.807533\nMn Co C\n2 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
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],
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"density": 7.454565229759214,
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"volume": 53.40613563112401,
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"formula_full": "Mn2 Co2 C1",
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"spacegroup": 123
}
]
}