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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=115",
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"results": [
{
"id": "jvasp-110549",
"created_at": "2022-09-04T14:38:38.617715Z",
"updated_at": "2022-09-04T14:38:38.617742Z",
"structure_string": "Pr1 Zn1 Ag1 P2\n1.0\n4.201200 0.000000 -0.000000\n-2.100600 3.638347 0.000000\n-0.000000 0.000000 6.823341\nPr Zn Ag P\n1 1 1 2\ndirect\n0.000000 0.000000 0.986918 Pr\n0.666667 0.333333 0.373354 Zn\n0.333333 0.666668 0.639258 Ag\n0.333333 0.666668 0.252032 P\n0.666667 0.333333 0.748439 P\n",
"nsites": 5,
"nelements": 4,
"elements": [
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"Zn",
"Ag",
"P"
],
"chemical_system": "Ag-P-Pr-Zn",
"density": 5.988461518699561,
"density_atomic": 0.04793971578462807,
"volume": 104.2976562994822,
"volume_molar": 12.56190334347165,
"formula_full": "Pr1 Zn1 Ag1 P2",
"formula_reduced": "PrZnAgP2",
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"spacegroup": 156
},
{
"id": "jvasp-110926",
"created_at": "2022-09-04T14:38:37.612070Z",
"updated_at": "2022-09-04T14:38:37.612094Z",
"structure_string": "Ba2 Bi2 Br2 O4\n1.0\n7.336809 0.035909 0.000000\n-4.887179 5.472251 0.000000\n-0.000000 -0.000000 5.834904\nBa Bi Br O\n2 2 2 4\ndirect\n0.613134 0.386866 0.250000 Ba\n0.386866 0.613134 0.750000 Ba\n0.925501 0.074499 0.250000 Bi\n0.074499 0.925501 0.750000 Bi\n0.253280 0.746720 0.250000 Br\n0.746720 0.253280 0.750000 Br\n0.226526 0.226526 -0.000000 O\n0.773474 0.773474 -0.000000 O\n0.773474 0.773474 0.500000 O\n0.226526 0.226526 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Br",
"O"
],
"chemical_system": "Ba-Bi-Br-O",
"density": 6.467593425089872,
"density_atomic": 0.04250097225880347,
"volume": 235.28873502249454,
"volume_molar": 14.16941881547804,
"formula_full": "Ba2 Bi2 Br2 O4",
"formula_reduced": "BaBiBrO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-57459",
"created_at": "2022-09-04T14:38:35.722855Z",
"updated_at": "2022-09-04T14:38:35.722886Z",
"structure_string": "Cd4 Bi4 S8 Cl4\n1.0\n4.015101 0.000000 0.000000\n0.000000 9.493691 0.000000\n0.000000 0.000000 12.703806\nCd Bi S Cl\n4 4 8 4\ndirect\n0.750000 0.496537 0.738300 Cd\n0.250000 0.503462 0.261700 Cd\n0.750000 0.996537 0.761700 Cd\n0.250000 0.003463 0.238300 Cd\n0.250000 0.300467 0.976289 Bi\n0.250000 0.800467 0.523712 Bi\n0.750000 0.199533 0.476289 Bi\n0.750000 0.699533 0.023712 Bi\n0.250000 0.748080 0.167928 S\n0.250000 0.553929 0.889103 S\n0.750000 0.446070 0.110897 S\n0.750000 0.751920 0.667928 S\n0.250000 0.248080 0.332073 S\n0.750000 0.946070 0.389103 S\n0.750000 0.251920 0.832073 S\n0.250000 0.053930 0.610897 S\n0.250000 0.427548 0.604142 Cl\n0.750000 0.572452 0.395858 Cl\n0.750000 0.072452 0.104142 Cl\n0.250000 0.927548 0.895859 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"S",
"Cl"
],
"chemical_system": "Bi-Cd-Cl-S",
"density": 5.774300161084428,
"density_atomic": 0.041301381239047,
"volume": 484.24530608898067,
"volume_molar": 14.580966978185634,
"formula_full": "Cd4 Bi4 S8 Cl4",
"formula_reduced": "CdBiS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4730556235000001,
"spacegroup": 62
},
{
"id": "jvasp-111022",
"created_at": "2022-09-04T14:38:36.738384Z",
"updated_at": "2022-09-04T14:38:36.738406Z",
"structure_string": "Na1 Mn1 Cu1 Se2\n1.0\n4.116860 -0.000000 0.000000\n-2.058430 3.565306 0.000000\n-0.000000 -0.000000 7.122095\nNa Mn Cu Se\n1 1 1 2\ndirect\n0.666667 0.333334 0.986835 Na\n0.333334 0.666667 0.394050 Mn\n0.000000 0.000000 0.623072 Cu\n0.000000 0.000000 0.255535 Se\n0.333334 0.666667 0.740506 Se\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Na",
"Mn",
"Cu",
"Se"
],
"chemical_system": "Cu-Mn-Na-Se",
"density": 4.755774456123773,
"density_atomic": 0.04782988465603771,
"volume": 104.53715362177513,
"volume_molar": 12.590749075201476,
"formula_full": "Na1 Mn1 Cu1 Se2",
"formula_reduced": "NaMnCuSe2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.1397686849425286,
"spacegroup": 156
},
{
"id": "jvasp-111516",
"created_at": "2022-09-04T14:38:41.592279Z",
"updated_at": "2022-09-04T14:38:41.592303Z",
"structure_string": "H8 C4 Br4 Cl4\n1.0\n5.892180 0.075061 2.151171\n4.231771 4.100675 2.151171\n0.348319 0.143668 14.450777\nH C Br Cl\n8 4 4 4\ndirect\n0.209371 0.452654 0.528757 H\n0.547346 0.790630 0.971243 H\n0.790628 0.547347 0.471243 H\n0.452653 0.209372 0.028757 H\n0.021423 0.511007 0.659625 H\n0.488993 0.978578 0.840375 H\n0.978576 0.488994 0.340375 H\n0.511006 0.021424 0.159625 H\n0.340642 0.238196 0.107499 C\n0.761804 0.659359 0.392501 C\n0.659357 0.761805 0.892501 C\n0.238196 0.340643 0.607499 C\n0.606247 0.223904 0.632495 Br\n0.776096 0.393754 0.867505 Br\n0.393752 0.776097 0.367505 Br\n0.223903 0.606248 0.132495 Br\n0.316341 -0.009362 0.628712 Cl\n0.009361 0.683660 0.871288 Cl\n0.683659 0.009362 0.371288 Cl\n-0.009362 0.316342 0.128712 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"Br",
"Cl"
],
"chemical_system": "Br-C-Cl-H",
"density": 2.519906950494824,
"density_atomic": 0.058644359520838796,
"volume": 341.03876593439753,
"volume_molar": 10.268917265368174,
"formula_full": "H8 C4 Br4 Cl4",
"formula_reduced": "H2CBrCl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.3576376345000005,
"spacegroup": 15
},
{
"id": "jvasp-26802",
"created_at": "2022-09-04T14:38:31.825430Z",
"updated_at": "2022-09-04T14:38:31.825460Z",
"structure_string": "Ag2 Bi2 S2 Cl4\n1.0\n4.037148 -0.000000 -0.000000\n-2.018573 6.900347 0.000000\n0.000000 -0.000000 8.730177\nAg Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.287552 0.575102 0.750000 Bi\n0.712450 0.424899 0.250000 Bi\n0.919056 0.838108 0.750000 S\n0.080946 0.161892 0.250000 S\n0.658202 0.316402 0.564365 Cl\n0.341800 0.683599 0.435635 Cl\n0.341800 0.683599 0.064365 Cl\n0.658202 0.316402 0.935635 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"S",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-S",
"density": 5.732883985652983,
"density_atomic": 0.04111794010365752,
"volume": 243.20284466561787,
"volume_molar": 14.64601763808766,
"formula_full": "Ag2 Bi2 S2 Cl4",
"formula_reduced": "AgBiSCl2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4466859389999998,
"spacegroup": 63
},
{
"id": "jvasp-26412",
"created_at": "2022-09-04T14:37:44.361206Z",
"updated_at": "2022-09-04T14:37:44.361233Z",
"structure_string": "Ba2 Bi2 Cl2 O4\n1.0\n0.000000 5.951502 0.000643\n5.772932 0.000000 0.000000\n0.000000 -2.975059 -6.514197\nBa Bi Cl O\n2 2 2 4\ndirect\n0.380169 0.250000 0.760328 Ba\n0.619831 0.750000 0.239673 Ba\n0.077262 0.250000 0.154533 Bi\n0.922737 0.750000 0.845468 Bi\n0.746321 0.250000 0.492630 Cl\n0.253678 0.750000 0.507370 Cl\n0.228387 0.500005 -0.000004 O\n0.771613 0.499995 0.000004 O\n0.228387 -0.000005 -0.000004 O\n0.771613 0.000005 0.000004 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Cl",
"O"
],
"chemical_system": "Ba-Bi-Cl-O",
"density": 6.139942050216134,
"density_atomic": 0.04468250530432014,
"volume": 223.80123790939598,
"volume_molar": 13.477625569526309,
"formula_full": "Ba2 Bi2 Cl2 O4",
"formula_reduced": "BaBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7538942675000001,
"spacegroup": 63
},
{
"id": "jvasp-29388",
"created_at": "2022-09-04T14:38:01.870376Z",
"updated_at": "2022-09-04T14:38:01.870395Z",
"structure_string": "Mn2 Sb2 S4 Br2\n1.0\n3.639706 -0.000000 -0.000000\n-1.819853 6.261624 -0.161851\n-0.000000 -0.095943 8.856506\nMn Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.707434 0.414867 0.789683 Sb\n0.292567 0.585132 0.210318 Sb\n0.620922 0.241844 0.045274 S\n0.057620 0.115240 0.750324 S\n0.379080 0.758156 0.954727 S\n0.942382 0.884760 0.249676 S\n0.371924 0.743846 0.550691 Br\n0.628078 0.256154 0.449309 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"S",
"Br"
],
"chemical_system": "Br-Mn-S-Sb",
"density": 5.278704617725789,
"density_atomic": 0.04955710342163087,
"volume": 201.78741914998938,
"volume_molar": 12.151922417183556,
"formula_full": "Mn2 Sb2 S4 Br2",
"formula_reduced": "MnSbS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.974259489275862,
"spacegroup": 12
},
{
"id": "jvasp-109105",
"created_at": "2022-09-04T14:37:59.526633Z",
"updated_at": "2022-09-04T14:37:59.526655Z",
"structure_string": "Pb4 I2 O2 F2\n1.0\n7.395029 0.029253 0.000000\n-5.011032 5.438462 0.000000\n0.000000 -0.000000 5.975863\nPb I O F\n4 2 2 2\ndirect\n0.406594 0.593406 0.220583 Pb\n0.593406 0.406593 0.779416 Pb\n0.093406 0.906593 0.220583 Pb\n0.906594 0.093406 0.779416 Pb\n0.750000 0.249999 0.244651 I\n0.250000 0.750000 0.755348 I\n0.250000 0.250000 -0.000000 O\n0.750000 0.749999 -0.000000 O\n0.250000 0.250000 0.500000 F\n0.750000 0.749999 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pb",
"I",
"O",
"F"
],
"chemical_system": "F-I-O-Pb",
"density": 7.9347408279132665,
"density_atomic": 0.041457520123075055,
"volume": 241.2107615292225,
"volume_molar": 14.526051587557708,
"formula_full": "Pb4 I2 O2 F2",
"formula_reduced": "Pb2IOF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2094523394999997,
"spacegroup": 67
},
{
"id": "jvasp-35205",
"created_at": "2022-09-04T14:38:07.925552Z",
"updated_at": "2022-09-04T14:38:07.925574Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n-0.232261 0.000000 5.025449\n2.825295 4.578126 0.106201\n-2.825295 4.578126 -0.106201\nSi Ge N O\n2 2 4 2\ndirect\n0.408785 0.012969 0.332920 Si\n0.408785 0.667081 0.987032 Si\n0.913651 0.325654 0.029366 Ge\n0.913651 0.970635 0.674347 Ge\n0.748400 0.659520 0.942882 N\n0.748400 0.057119 0.340481 N\n0.268993 0.334813 0.114992 N\n0.268993 0.885009 0.665188 N\n0.857027 0.267946 0.732055 O\n0.331315 0.799960 0.200041 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O-Si",
"density": 3.6910703480471905,
"density_atomic": 0.07678736450090938,
"volume": 130.2297593490342,
"volume_molar": 7.8426194194080985,
"formula_full": "Si2 Ge2 N4 O2",
"formula_reduced": "SiGeN2O",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.31815291,
"spacegroup": 8
},
{
"id": "jvasp-12493",
"created_at": "2022-09-04T14:38:03.233246Z",
"updated_at": "2022-09-04T14:38:03.233261Z",
"structure_string": "Pb4 Cl2 O2 F2\n1.0\n5.261376 -0.000000 -2.399962\n0.000000 5.796715 -0.000000\n-0.015164 0.000000 6.933930\nPb Cl O F\n4 2 2 2\ndirect\n0.895888 0.221195 0.291774 Pb\n0.104114 0.778804 0.708227 Pb\n0.604114 0.221195 0.708227 Pb\n0.395888 0.778804 0.291773 Pb\n0.750001 0.779527 0.000000 Cl\n0.250000 0.220473 0.000000 Cl\n0.750001 0.000000 0.500001 O\n0.250001 0.000000 0.500000 O\n0.250001 0.500000 0.500000 F\n0.750001 0.500000 0.500001 F\n",
"nsites": 10,
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"elements": [
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"O",
"F"
],
"chemical_system": "Cl-F-O-Pb",
"density": 7.621841672431311,
"density_atomic": 0.047333945942483656,
"volume": 211.26487134943667,
"volume_molar": 12.722667929095985,
"formula_full": "Pb4 Cl2 O2 F2",
"formula_reduced": "Pb2ClOF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2689298979999999,
"spacegroup": 67
},
{
"id": "jvasp-29435",
"created_at": "2022-09-04T14:38:04.713138Z",
"updated_at": "2022-09-04T14:38:04.713156Z",
"structure_string": "K4 Na4 Zn4 O8\n1.0\n5.601417 0.029949 0.000000\n-1.373935 5.674032 0.000000\n0.000000 0.000000 9.599563\nK Na Zn O\n4 4 4 8\ndirect\n0.500011 0.750056 0.377603 K\n0.000010 0.750056 0.122397 K\n-0.000011 0.249944 0.877603 K\n0.499989 0.249944 0.622397 K\n0.999960 0.749958 0.477352 Na\n0.499960 0.749958 0.022648 Na\n0.500040 0.250042 0.977351 Na\n0.000040 0.250042 0.522648 Na\n0.000127 0.750014 0.760397 Zn\n0.499872 0.249985 0.260398 Zn\n0.500127 0.750014 0.739602 Zn\n0.999873 0.249985 0.239602 Zn\n0.295663 0.431686 0.141250 O\n0.704099 0.068234 0.141281 O\n0.204336 0.568314 0.641250 O\n0.295901 0.931766 0.858719 O\n0.704337 0.568314 0.858750 O\n0.795663 0.431686 0.358750 O\n0.795901 0.931766 0.641280 O\n0.204099 0.068234 0.358719 O\n",
"nsites": 20,
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"elements": [
"K",
"Na",
"Zn",
"O"
],
"chemical_system": "K-Na-O-Zn",
"density": 3.4678114453713547,
"density_atomic": 0.06546767873881545,
"volume": 305.4942589272239,
"volume_molar": 9.198647143158144,
"formula_full": "K4 Na4 Zn4 O8",
"formula_reduced": "KNaZnO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.03302288,
"spacegroup": 15
}
]
}