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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1536",
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"results": [
{
"id": "jvasp-48191",
"created_at": "2022-09-04T14:36:51.281808Z",
"updated_at": "2022-09-04T14:36:51.281820Z",
"structure_string": "Li4 P4 W2 O16\n1.0\n0.000000 5.829151 -0.001418\n4.876144 0.000000 0.000000\n0.000000 -0.002506 -10.100040\nLi P W O\n4 4 2 16\ndirect\n0.730801 0.684616 0.443757 Li\n0.730801 0.315383 0.943757 Li\n0.730683 0.272161 0.265462 Li\n0.730683 0.727838 0.765462 Li\n0.230771 0.392285 0.419726 P\n0.230771 0.607715 0.919726 P\n0.730777 0.827390 0.089204 P\n0.730776 0.172609 0.589204 P\n0.230774 0.184870 0.731806 W\n0.230775 0.815129 0.231806 W\n0.730764 0.924296 0.946863 O\n0.730764 0.075704 0.446863 O\n0.730771 0.479641 0.608093 O\n0.730772 0.520358 0.108093 O\n0.523224 0.029607 0.667838 O\n0.523225 0.970392 0.167838 O\n0.436234 0.451405 0.850485 O\n0.230782 0.558573 0.069162 O\n0.230764 0.913608 0.889281 O\n0.230764 0.086391 0.389281 O\n0.230781 0.441426 0.569162 O\n0.938333 0.970389 0.167829 O\n0.025316 0.451370 0.850496 O\n0.025316 0.548629 0.350496 O\n0.436234 0.548594 0.350485 O\n0.938333 0.029611 0.667829 O\n",
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],
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"volume": 287.081328983418,
"volume_molar": 6.649400664253888,
"formula_full": "Li4 P4 W2 O16",
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{
"id": "jvasp-85463",
"created_at": "2022-09-04T14:35:55.211690Z",
"updated_at": "2022-09-04T14:35:55.211738Z",
"structure_string": "Os2 C6 I4 O6\n1.0\n6.515309 -0.045673 1.656954\n1.932037 6.222425 1.656954\n0.041577 0.030401 9.641290\nOs C I O\n2 6 4 6\ndirect\n0.429660 0.429660 0.726658 Os\n0.570341 0.570341 0.273341 Os\n0.584545 0.219160 0.865144 C\n0.743516 0.743516 0.278909 C\n0.219160 0.584545 0.865144 C\n0.415456 0.780841 0.134855 C\n0.256485 0.256485 0.721089 C\n0.780840 0.415456 0.134855 C\n0.742031 0.257970 0.499999 I\n0.681026 0.681026 0.736630 I\n0.257970 0.742031 0.499999 I\n0.318975 0.318975 0.263369 I\n0.909711 0.312920 0.056467 O\n0.312920 0.909712 0.056467 O\n0.849480 0.849481 0.275961 O\n0.687081 0.090289 0.943532 O\n0.090289 0.687081 0.943532 O\n0.150521 0.150520 0.724038 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "C-I-O-Os",
"density": 4.484677395492357,
"density_atomic": 0.0460292341461898,
"volume": 391.0558221071337,
"volume_molar": 13.08329558748155,
"formula_full": "Os2 C6 I4 O6",
"formula_reduced": "OsC3I2O3",
"formula_anonymous": "AB2C3D3",
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"spacegroup": 12
},
{
"id": "jvasp-117404",
"created_at": "2022-09-04T14:38:26.505068Z",
"updated_at": "2022-09-04T14:38:26.505090Z",
"structure_string": "Li4 Mn6 Te2 O16\n1.0\n5.527278 0.061799 1.648279\n-3.035501 4.999880 0.020186\n-0.329229 -0.260882 11.413485\nLi Mn Te O\n4 6 2 16\ndirect\n0.884722 0.940325 0.165240 Li\n0.902634 0.433908 0.652927 Li\n0.097377 0.566096 0.347061 Li\n0.115276 0.059674 0.834767 Li\n0.000003 0.500000 0.000001 Mn\n-0.000001 0.000000 0.499999 Mn\n0.499999 0.000002 0.500000 Mn\n0.500001 0.500000 0.499999 Mn\n0.499998 0.500000 0.000001 Mn\n0.499998 -0.000003 0.000001 Mn\n0.513993 0.740913 0.750165 Te\n0.486009 0.259090 0.249836 Te\n0.289914 0.606256 0.630778 O\n0.209126 0.364068 0.424855 O\n0.285207 0.864318 0.850468 O\n0.710086 0.393744 0.369222 O\n0.721659 0.857323 0.914373 O\n0.278342 0.142677 0.085629 O\n0.714795 0.135682 0.149533 O\n0.731762 0.361009 0.911884 O\n0.744838 0.601520 0.105204 O\n0.736962 0.083246 0.610547 O\n0.279392 0.136747 0.588832 O\n0.268238 0.638991 0.088119 O\n0.255164 0.398482 0.894798 O\n0.720608 0.863254 0.411165 O\n0.790874 0.635936 0.575143 O\n0.263037 0.916753 0.389450 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Te",
"O"
],
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"density": 4.484696817563974,
"density_atomic": 0.08706244556981202,
"volume": 321.6082412657232,
"volume_molar": 6.917036065993664,
"formula_full": "Li4 Mn6 Te2 O16",
"formula_reduced": "Li2Mn3TeO8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 2
},
{
"id": "jvasp-108582",
"created_at": "2022-09-04T14:38:16.245197Z",
"updated_at": "2022-09-04T14:38:16.245210Z",
"structure_string": "K2 Sc1 Au1 I6\n1.0\n7.164949 -0.000000 4.136685\n2.388316 6.755179 4.136685\n-0.000000 -0.000000 8.273371\nK Sc Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.753741 0.246259 0.246259 I\n0.246259 0.246259 0.753741 I\n0.246259 0.753741 0.753741 I\n0.246259 0.753741 0.246259 I\n0.753741 0.246259 0.753742 I\n0.753742 0.753741 0.246259 I\n",
"nsites": 10,
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"elements": [
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"Au",
"I"
],
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"density": 4.484991130379079,
"density_atomic": 0.02497281703795958,
"volume": 400.4354008119965,
"volume_molar": 24.114783489768616,
"formula_full": "K2 Sc1 Au1 I6",
"formula_reduced": "K2ScAuI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-30583",
"created_at": "2022-09-04T14:37:13.111014Z",
"updated_at": "2022-09-04T14:37:13.111033Z",
"structure_string": "Mn1 O2\n1.0\n5.005556 -0.437342 -0.259029\n4.465967 2.302606 -0.259029\n4.465967 0.879501 2.143728\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.597755 0.597756 0.597756 O\n0.402245 0.402245 0.402245 O\n",
"nsites": 3,
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"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.484991639607894,
"density_atomic": 0.0932030060573595,
"volume": 32.18780302165065,
"volume_molar": 6.461316018384452,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.211881413793104,
"spacegroup": 166
},
{
"id": "jvasp-30623",
"created_at": "2022-09-04T14:37:08.687900Z",
"updated_at": "2022-09-04T14:37:08.687926Z",
"structure_string": "Fe1 O2\n1.0\n4.995667 -0.448578 -0.265684\n4.452557 2.309253 -0.265684\n4.452557 0.876860 2.152755\nFe O\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.598875 0.598872 0.598874 O\n0.401128 0.401126 0.401128 O\n",
"nsites": 3,
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"elements": [
"Fe",
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],
"chemical_system": "Fe-O",
"density": 4.485012621450849,
"density_atomic": 0.09224115074514357,
"volume": 32.52344507592722,
"volume_molar": 6.5286921415787535,
"formula_full": "Fe1 O2",
"formula_reduced": "FeO2",
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"spacegroup": 166
},
{
"id": "jvasp-117418",
"created_at": "2022-09-04T14:38:26.549355Z",
"updated_at": "2022-09-04T14:38:26.549385Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n4.928550 -0.210895 -2.904454\n-1.647691 4.643355 -2.914670\n0.065844 0.210895 5.720325\nLi V Co O\n2 2 2 8\ndirect\n0.372226 0.122226 0.250000 Li\n0.627773 0.877773 0.750000 Li\n-0.000000 0.500000 0.500000 V\n0.500000 0.499999 -0.000000 V\n-0.000000 0.499999 -0.000000 Co\n-0.000000 0.000000 0.500001 Co\n0.212083 0.738657 0.473426 O\n0.765230 0.738656 0.026574 O\n0.758930 0.735400 0.476470 O\n0.758931 0.282461 0.023530 O\n0.241068 0.717538 0.976471 O\n0.241069 0.264599 0.523530 O\n0.234769 0.261343 0.973427 O\n0.787916 0.261342 0.526574 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.485015314536497,
"density_atomic": 0.10456407799525932,
"volume": 133.88919281280064,
"volume_molar": 5.759282609724755,
"formula_full": "Li2 V2 Co2 O8",
"formula_reduced": "LiVCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6375455857142853,
"spacegroup": 74
},
{
"id": "jvasp-104993",
"created_at": "2022-09-04T14:37:01.458436Z",
"updated_at": "2022-09-04T14:37:01.458455Z",
"structure_string": "Li1 Co1 Cu1 O4\n1.0\n2.782849 0.000000 0.000000\n-0.000000 4.668552 2.427793\n-0.000000 0.328788 5.682959\nLi Co Cu O\n1 1 1 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Cu\n0.000000 0.764814 0.727867 O\n0.500000 0.228445 0.671779 O\n0.000000 0.235186 0.272133 O\n0.500000 0.771555 0.328221 O\n",
"nsites": 7,
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],
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"density": 4.48503805132156,
"density_atomic": 0.09775042326298836,
"volume": 71.61094311752652,
"volume_molar": 6.16073113442997,
"formula_full": "Li1 Co1 Cu1 O4",
"formula_reduced": "LiCoCuO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 10
},
{
"id": "jvasp-69061",
"created_at": "2022-09-04T14:36:18.287834Z",
"updated_at": "2022-09-04T14:36:18.287853Z",
"structure_string": "Ba1 Ca2 Bi1\n1.0\n4.226853 0.000000 -0.000000\n0.000000 4.226853 -0.000000\n-0.000000 -0.000000 8.837476\nBa Ca Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.680406 Ca\n0.000000 0.000000 0.319595 Ca\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.485060713545422,
"density_atomic": 0.025333631860038196,
"volume": 157.89287624052375,
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"formula_full": "Ba1 Ca2 Bi1",
"formula_reduced": "BaCa2Bi",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-100618",
"created_at": "2022-09-04T14:36:57.008461Z",
"updated_at": "2022-09-04T14:36:57.008489Z",
"structure_string": "Sr2 Li1 Rh1\n1.0\n4.593852 0.000000 2.652261\n1.531284 4.331126 2.652261\n0.000000 0.000000 5.304524\nSr Li Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.749999 Sr\n0.499999 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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],
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"density": 4.485403454969606,
"density_atomic": 0.037899698485269515,
"volume": 105.54173673847778,
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"formula_full": "Sr2 Li1 Rh1",
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"spacegroup": 225
},
{
"id": "jvasp-50706",
"created_at": "2022-09-04T14:36:18.692110Z",
"updated_at": "2022-09-04T14:36:18.692125Z",
"structure_string": "Li1 Sb3 P2 O10\n1.0\n-5.316160 0.463483 -0.178509\n0.049107 -6.817914 -0.266280\n2.377901 2.541345 6.260107\nLi Sb P O\n1 3 2 10\ndirect\n0.920151 0.395621 0.892078 Li\n0.553950 0.470358 0.332097 Sb\n-0.076725 -0.001211 0.047798 Sb\n0.366378 0.133820 0.780958 Sb\n0.621613 0.988430 0.387947 P\n0.316716 0.577295 0.721206 P\n0.734765 0.062988 0.640269 O\n0.480220 0.825303 0.864170 O\n0.452065 0.747608 0.258667 O\n0.263439 0.518868 0.475228 O\n0.048590 0.534884 0.744078 O\n0.238146 0.294277 0.035067 O\n0.732358 0.240529 0.046155 O\n0.517829 0.446168 0.804709 O\n0.879347 0.020035 0.330564 O\n0.435455 0.134606 0.326911 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.07274427895661292,
"volume": 219.94856818283847,
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"formula_full": "Li1 Sb3 P2 O10",
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"formula_anonymous": "AB2C3D10",
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"spacegroup": 1
},
{
"id": "jvasp-99698",
"created_at": "2022-09-04T14:36:09.831163Z",
"updated_at": "2022-09-04T14:36:09.831184Z",
"structure_string": "K2 Ga1 Au1 Br6\n1.0\n6.544253 -0.000000 3.778326\n2.181418 6.169981 3.778326\n-0.000000 0.000000 7.556653\nK Ga Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.756370 0.243630 0.243631 Br\n0.243630 0.243630 0.756370 Br\n0.243630 0.756370 0.756370 Br\n0.243630 0.756370 0.243631 Br\n0.756370 0.243630 0.756370 Br\n0.756370 0.756370 0.243631 Br\n",
"nsites": 10,
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"elements": [
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"Au",
"Br"
],
"chemical_system": "Au-Br-Ga-K",
"density": 4.486073322162674,
"density_atomic": 0.032773785925574964,
"volume": 305.12190513200727,
"volume_molar": 18.37487061664314,
"formula_full": "K2 Ga1 Au1 Br6",
"formula_reduced": "K2GaAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}