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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=117",
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"results": [
{
"id": "jvasp-99940",
"created_at": "2022-09-04T14:36:12.787593Z",
"updated_at": "2022-09-04T14:36:12.787621Z",
"structure_string": "Pr1 Mn1 Co1 Ge2\n1.0\n3.831998 -0.001506 -4.633066\n-0.497678 3.799543 -4.633066\n0.001322 0.001506 6.012446\nPr Mn Co Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.249999 0.750000 0.499999 Mn\n0.750000 0.250000 0.499999 Co\n0.628657 0.628656 -0.000002 Ge\n0.371343 0.371342 -0.000001 Ge\n",
"nsites": 5,
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"elements": [
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"Ge"
],
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"formula_anonymous": "ABCD2",
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{
"id": "jvasp-102601",
"created_at": "2022-09-04T14:37:08.994676Z",
"updated_at": "2022-09-04T14:37:08.994694Z",
"structure_string": "Tb2 Fe4 Si2 C2\n1.0\n5.551297 -0.009005 0.000000\n-4.272484 3.544412 0.000000\n-0.000000 -0.000000 6.720423\nTb Fe Si C\n2 4 2 2\ndirect\n0.551452 0.448549 0.250000 Tb\n0.448550 0.551451 0.750000 Tb\n0.834895 0.165107 0.062556 Fe\n0.165107 0.834893 0.937443 Fe\n0.165107 0.834893 0.562556 Fe\n0.834895 0.165107 0.437443 Fe\n0.271047 0.728954 0.250000 Si\n0.728955 0.271047 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"formula_full": "Tb2 Fe4 Si2 C2",
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"spacegroup": 63
},
{
"id": "jvasp-101144",
"created_at": "2022-09-04T14:36:51.149738Z",
"updated_at": "2022-09-04T14:36:51.149764Z",
"structure_string": "Na1 Li1 Mn1 S2\n1.0\n3.761231 0.000000 0.000000\n-1.880616 3.257321 0.000000\n-0.000000 -0.000000 6.631902\nNa Li Mn S\n1 1 1 2\ndirect\n0.666666 0.333333 0.983732 Na\n0.000000 0.000000 0.639081 Li\n0.333332 0.666666 0.372197 Mn\n0.000000 0.000000 0.283998 S\n0.333332 0.666666 0.720990 S\n",
"nsites": 5,
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"elements": [
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"Li",
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"S"
],
"chemical_system": "Li-Mn-Na-S",
"density": 3.045111810658757,
"density_atomic": 0.0615377110505109,
"volume": 81.25099089070666,
"volume_molar": 9.786098080666267,
"formula_full": "Na1 Li1 Mn1 S2",
"formula_reduced": "NaLiMnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.5421612482758618,
"spacegroup": 156
},
{
"id": "jvasp-109417",
"created_at": "2022-09-04T14:38:12.443230Z",
"updated_at": "2022-09-04T14:38:12.443257Z",
"structure_string": "Ba1 Fe1 O2 F1\n1.0\n3.895267 -0.000000 0.000000\n0.000000 3.895267 0.000000\n-0.000000 -0.000000 4.347479\nBa Fe O F\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 F\n",
"nsites": 5,
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"elements": [
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"O",
"F"
],
"chemical_system": "Ba-F-Fe-O",
"density": 6.146502000566323,
"density_atomic": 0.07579805265511803,
"volume": 65.9647553578989,
"volume_molar": 7.944980839284627,
"formula_full": "Ba1 Fe1 O2 F1",
"formula_reduced": "BaFeO2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.1766897505000002,
"spacegroup": 123
},
{
"id": "jvasp-103643",
"created_at": "2022-09-04T14:36:51.645541Z",
"updated_at": "2022-09-04T14:36:51.645565Z",
"structure_string": "Sm2 Mn4 Si2 C2\n1.0\n5.633934 0.010103 0.000000\n-4.359719 3.568496 0.000000\n0.000000 0.000000 7.001528\nSm Mn Si C\n2 4 2 2\ndirect\n0.546126 0.453874 0.250000 Sm\n0.453874 0.546126 0.750000 Sm\n0.831780 0.168218 0.063267 Mn\n0.168219 0.831782 0.936734 Mn\n0.168219 0.831782 0.563267 Mn\n0.831780 0.168218 0.436734 Mn\n0.266835 0.733166 0.250000 Si\n0.733164 0.266834 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sm",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-Sm",
"density": 7.0703496217699655,
"density_atomic": 0.07088588552936777,
"volume": 141.07180753010465,
"volume_molar": 8.495542822139182,
"formula_full": "Sm2 Mn4 Si2 C2",
"formula_reduced": "SmMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.987776391551724,
"spacegroup": 63
},
{
"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": [
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"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",
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"spacegroup": 67
},
{
"id": "jvasp-107569",
"created_at": "2022-09-04T14:36:53.711611Z",
"updated_at": "2022-09-04T14:36:53.711628Z",
"structure_string": "Ce1 Zn1 Ag1 P2\n1.0\n4.179698 0.000000 0.000000\n-2.089848 3.619725 0.000000\n0.000000 0.000000 6.763432\nCe Zn Ag P\n1 1 1 2\ndirect\n0.333334 0.666668 0.008829 Ce\n0.666667 0.333334 0.627589 Zn\n0.000000 0.000000 0.364155 Ag\n0.000000 0.000000 0.752884 P\n0.666667 0.333334 0.246543 P\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ce",
"Zn",
"Ag",
"P"
],
"chemical_system": "Ag-Ce-P-Zn",
"density": 6.090980038230638,
"density_atomic": 0.048863255202293426,
"volume": 102.32637959341935,
"volume_molar": 12.324477227455256,
"formula_full": "Ce1 Zn1 Ag1 P2",
"formula_reduced": "CeZnAgP2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.200068832,
"spacegroup": 156
},
{
"id": "jvasp-12488",
"created_at": "2022-09-04T14:38:09.569071Z",
"updated_at": "2022-09-04T14:38:09.569101Z",
"structure_string": "Bi2 Pb2 Cl2 O4\n1.0\n5.636503 -0.000000 0.000000\n-0.000000 5.174483 -2.343406\n0.000000 -0.019308 6.841966\nBi Pb Cl O\n2 2 2 4\ndirect\n0.750000 0.090626 0.181252 Bi\n0.250000 0.909373 0.818748 Bi\n0.750000 0.392609 0.785219 Pb\n0.250000 0.607390 0.214781 Pb\n0.750000 0.745612 0.491224 Cl\n0.250000 0.254387 0.508776 Cl\n0.500000 0.238637 -0.000000 O\n0.000000 0.761363 -0.000001 O\n0.500000 0.761363 -0.000001 O\n0.000000 0.238637 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Bi",
"Pb",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Pb",
"density": 8.059202604242502,
"density_atomic": 0.05017620054338723,
"volume": 199.2976728350132,
"volume_molar": 12.001986389528778,
"formula_full": "Bi2 Pb2 Cl2 O4",
"formula_reduced": "BiPbClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0105812375,
"spacegroup": 63
},
{
"id": "jvasp-29474",
"created_at": "2022-09-04T14:38:06.330243Z",
"updated_at": "2022-09-04T14:38:06.330265Z",
"structure_string": "Cd2 Sb2 S4 Br2\n1.0\n3.980238 0.000000 -0.000000\n-1.990120 6.522275 -0.144115\n-0.000000 -0.028201 9.662690\nCd Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.283842 0.567684 0.689244 Sb\n0.716158 0.432317 0.310756 Sb\n0.915266 0.830532 0.741328 S\n0.353781 0.707562 0.447565 S\n0.646220 0.292439 0.552434 S\n0.084735 0.169469 0.258672 S\n0.362853 0.725707 0.075578 Br\n0.637147 0.274294 0.924422 Br\n",
"nsites": 10,
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"elements": [
"Cd",
"Sb",
"S",
"Br"
],
"chemical_system": "Br-Cd-S-Sb",
"density": 5.007583183393937,
"density_atomic": 0.03986775797283032,
"volume": 250.82925422630865,
"volume_molar": 15.105290756766555,
"formula_full": "Cd2 Sb2 S4 Br2",
"formula_reduced": "CdSbS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6117079910000002,
"spacegroup": 12
},
{
"id": "jvasp-106999",
"created_at": "2022-09-04T14:38:06.121806Z",
"updated_at": "2022-09-04T14:38:06.121830Z",
"structure_string": "Dy2 P2 Ru4 C2\n1.0\n5.842892 -0.004676 0.000000\n-4.618799 3.578561 0.000000\n-0.000000 -0.000000 7.066865\nDy P Ru C\n2 2 4 2\ndirect\n0.543908 0.456090 0.250000 Dy\n0.456090 0.543908 0.750001 Dy\n0.268329 0.731670 0.250000 P\n0.731669 0.268329 0.750001 P\n0.834739 0.165259 0.053131 Ru\n0.165260 0.834739 0.946870 Ru\n0.165260 0.834739 0.553131 Ru\n0.834739 0.165259 0.446869 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Ru",
"C"
],
"chemical_system": "C-Dy-P-Ru",
"density": 9.171177042061247,
"density_atomic": 0.06774632566244225,
"volume": 147.60948143264218,
"volume_molar": 8.889250746979778,
"formula_full": "Dy2 P2 Ru4 C2",
"formula_reduced": "DyPRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.9972606,
"spacegroup": 63
},
{
"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": [
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"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",
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"spacegroup": 15
},
{
"id": "jvasp-107576",
"created_at": "2022-09-04T14:36:51.286861Z",
"updated_at": "2022-09-04T14:36:51.286889Z",
"structure_string": "Bi1 Pb1 Br1 O2\n1.0\n3.826635 -0.016754 -5.994334\n-0.340298 3.811511 -5.994334\n0.015393 0.016754 7.111606\nBi Pb Br O\n1 1 1 2\ndirect\n0.342098 0.342098 0.000001 Bi\n0.653058 0.653058 0.000002 Pb\n0.991244 0.991244 0.000003 Br\n0.756801 0.256801 0.500002 O\n0.256800 0.756800 0.500000 O\n",
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],
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"density_atomic": 0.04786713390147546,
"volume": 104.45580490136426,
"volume_molar": 12.58095120630227,
"formula_full": "Bi1 Pb1 Br1 O2",
"formula_reduced": "BiPbBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.984805245,
"spacegroup": 107
}
]
}