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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3587",
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"results": [
{
"id": "jvasp-100124",
"created_at": "2022-09-04T14:36:20.877700Z",
"updated_at": "2022-09-04T14:36:20.877711Z",
"structure_string": "Rb2 Al1 In1 Br6\n1.0\n6.825459 -0.000000 3.940680\n2.275153 6.435105 3.940680\n-0.000000 0.000000 7.881361\nRb Al In Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.774149 0.225851 0.225851 Br\n0.225851 0.225851 0.774149 Br\n0.225851 0.774149 0.774149 Br\n0.225851 0.774149 0.225851 Br\n0.774149 0.225851 0.774149 Br\n0.774149 0.774149 0.225851 Br\n",
"nsites": 10,
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"elements": [
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"volume": 346.16943584918187,
"volume_molar": 20.846810694935634,
"formula_full": "Rb2 Al1 In1 Br6",
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{
"id": "jvasp-14516",
"created_at": "2022-09-04T14:38:08.174653Z",
"updated_at": "2022-09-04T14:38:08.174681Z",
"structure_string": "Ca2 Ge2\n1.0\n4.021019 -0.000000 -0.000000\n-0.000000 4.180365 -1.760946\n0.000000 0.006596 5.858083\nCa Ge\n2 2\ndirect\n0.750000 0.363730 0.727457 Ca\n0.250000 0.636270 0.272542 Ca\n0.750000 0.077908 0.155816 Ge\n0.250000 0.922092 0.844183 Ge\n",
"nsites": 4,
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"elements": [
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"Ge"
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"density_atomic": 0.040602072617606136,
"volume": 98.51713821785279,
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{
"id": "jvasp-12523",
"created_at": "2022-09-04T14:37:05.173994Z",
"updated_at": "2022-09-04T14:37:05.174009Z",
"structure_string": "K4 Te2 Br12\n1.0\n7.338840 0.000000 0.000000\n-0.000000 7.338840 0.000000\n-0.000000 -0.000000 11.119901\nK Te Br\n4 2 12\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.697988 0.184484 0.500000 Br\n0.315516 0.802012 0.000000 Br\n0.684484 0.197988 0.000000 Br\n0.197988 0.315516 0.000000 Br\n0.500000 0.500000 0.746737 Br\n0.000000 0.000000 0.246737 Br\n0.500000 0.500000 0.253263 Br\n0.302012 0.815516 0.500000 Br\n0.815516 0.697988 0.500000 Br\n0.184484 0.302012 0.500000 Br\n0.000000 0.000000 0.753263 Br\n0.802012 0.684484 0.000000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Te",
"Br"
],
"chemical_system": "Br-K-Te",
"density": 3.799738807325605,
"density_atomic": 0.03005500091674321,
"volume": 598.90199470839,
"volume_molar": 20.037067297659448,
"formula_full": "K4 Te2 Br12",
"formula_reduced": "K2TeBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.00103,
"spacegroup": 128
},
{
"id": "jvasp-122940",
"created_at": "2022-09-04T14:38:55.452198Z",
"updated_at": "2022-09-04T14:38:55.452216Z",
"structure_string": "Mg1 V1\n1.0\n3.203791 0.000000 -0.000000\n0.000000 3.203791 -0.000000\n0.000000 0.000000 3.203791\nMg V\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
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"elements": [
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"V"
],
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"density": 3.7996436694404925,
"density_atomic": 0.06081874644832938,
"volume": 32.88459754262064,
"volume_molar": 9.90178376188058,
"formula_full": "Mg1 V1",
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"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-1073",
"created_at": "2022-09-04T14:37:10.241592Z",
"updated_at": "2022-09-04T14:37:10.241609Z",
"structure_string": "Si2 Ge2\n1.0\n1.973247 -3.417763 0.000000\n1.973247 3.417763 0.000000\n0.000000 0.000000 6.527222\nSi Ge\n2 2\ndirect\n0.333334 0.666668 0.374439 Si\n0.666668 0.333334 0.874439 Si\n0.333334 0.666668 0.000560 Ge\n0.666668 0.333334 0.500560 Ge\n",
"nsites": 4,
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"elements": [
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"Ge"
],
"chemical_system": "Ge-Si",
"density": 3.7995901256374967,
"density_atomic": 0.04543371157214907,
"volume": 88.04035289188228,
"volume_molar": 13.254784941874703,
"formula_full": "Si2 Ge2",
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"formula_anonymous": "AB",
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"spacegroup": 186
},
{
"id": "jvasp-52226",
"created_at": "2022-09-04T14:36:56.593056Z",
"updated_at": "2022-09-04T14:36:56.593077Z",
"structure_string": "K4 I4 O8 F8\n1.0\n5.705548 0.000000 0.000000\n0.000000 8.639188 0.000000\n0.000000 0.000000 8.369901\nK I O F\n4 4 8 8\ndirect\n0.470355 0.265023 0.191517 K\n0.470355 0.765024 0.308483 K\n0.529645 0.265023 0.691517 K\n0.529645 0.765024 0.808483 K\n0.008687 0.020794 0.014162 I\n0.991314 0.520794 0.985838 I\n0.008687 0.520794 0.485838 I\n0.991314 0.020794 0.514162 I\n-0.109142 0.214635 0.024632 O\n0.850733 0.507698 0.792153 O\n0.850733 0.007698 0.707847 O\n-0.109142 0.714636 0.475368 O\n0.109142 0.214635 0.524632 O\n0.149268 0.507698 0.292153 O\n0.149268 0.007698 0.207847 O\n0.109142 0.714636 0.975368 O\n0.676355 0.594291 0.082211 F\n0.693797 0.934159 0.093052 F\n0.693797 0.434159 0.406948 F\n0.676355 0.094291 0.417790 F\n0.323645 0.594291 0.582210 F\n0.306203 0.934159 0.593052 F\n0.306203 0.434159 0.906948 F\n0.323645 0.094291 0.917790 F\n",
"nsites": 24,
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"elements": [
"K",
"I",
"O",
"F"
],
"chemical_system": "F-I-K-O",
"density": 3.799509148129758,
"density_atomic": 0.05817288898141506,
"volume": 412.56331635287125,
"volume_molar": 10.352143181205838,
"formula_full": "K4 I4 O8 F8",
"formula_reduced": "KI(OF)2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 29
},
{
"id": "jvasp-74755",
"created_at": "2022-09-04T14:35:53.201490Z",
"updated_at": "2022-09-04T14:35:53.201508Z",
"structure_string": "Be2 Zn1 Br1\n1.0\n-1.650822 1.650822 6.548781\n1.650822 -1.650822 6.548781\n1.650822 1.650822 -6.548781\nBe Zn Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Zn\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"Zn",
"Br"
],
"chemical_system": "Be-Br-Zn",
"density": 3.7993883388489826,
"density_atomic": 0.05603237575539212,
"volume": 71.38729968298857,
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"formula_full": "Be2 Zn1 Br1",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-40122",
"created_at": "2022-09-04T14:38:03.053040Z",
"updated_at": "2022-09-04T14:38:03.053063Z",
"structure_string": "Ba2 Na2 Sc2 Si4 O14\n1.0\n0.000000 6.864613 0.007232\n5.684181 0.000000 0.000000\n0.000000 -2.965606 -8.368844\nBa Na Sc Si O\n2 2 2 4 14\ndirect\n0.705720 0.250000 0.534713 Ba\n0.294279 0.750000 0.465287 Ba\n0.269542 0.750000 -0.000565 Na\n0.730458 0.250000 0.000565 Na\n0.698547 0.750000 0.266979 Sc\n0.301451 0.250000 0.733021 Sc\n0.643283 0.750000 0.845131 Si\n0.356716 0.250000 0.154869 Si\n0.949361 0.750000 0.681171 Si\n0.050637 0.250000 0.318829 Si\n0.916648 0.013318 0.315301 O\n0.083351 0.513317 0.684698 O\n0.264236 0.250000 0.474650 O\n0.735763 0.750000 0.525350 O\n0.365414 0.250000 0.974529 O\n0.634585 0.750000 0.025471 O\n0.108565 0.250000 0.148759 O\n0.461180 0.008175 0.250701 O\n0.461180 0.491825 0.250701 O\n0.538818 0.991824 0.749299 O\n0.916648 0.486682 0.315301 O\n0.891433 0.750000 0.851240 O\n0.538818 0.508175 0.749299 O\n0.083351 0.986682 0.684698 O\n",
"nsites": 24,
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"elements": [
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"Na",
"Sc",
"Si",
"O"
],
"chemical_system": "Ba-Na-O-Sc-Si",
"density": 3.79937411208992,
"density_atomic": 0.07352312818897822,
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"formula_full": "Ba2 Na2 Sc2 Si4 O14",
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"spacegroup": 11
},
{
"id": "jvasp-42938",
"created_at": "2022-09-04T14:38:08.609594Z",
"updated_at": "2022-09-04T14:38:08.609610Z",
"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.062212 0.002584\n5.613154 0.000000 0.000000\n0.000000 -5.057194 -6.232339\nLi Co Ge O\n2 2 2 8\ndirect\n0.747093 0.662771 0.751242 Li\n0.747092 0.337228 0.251242 Li\n0.992354 0.176765 0.997268 Co\n0.992353 0.823234 0.497268 Co\n0.500689 0.841695 0.000819 Ge\n0.500690 0.158305 0.500819 Ge\n0.832341 0.867215 0.980534 O\n0.383749 0.134837 0.021856 O\n0.139277 0.703658 0.761521 O\n0.659453 0.328279 0.736467 O\n0.383750 0.865163 0.521856 O\n0.832341 0.132784 0.480534 O\n0.139277 0.296341 0.261521 O\n0.659453 0.671720 0.236466 O\n",
"nsites": 14,
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"elements": [
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"Ge",
"O"
],
"chemical_system": "Co-Ge-Li-O",
"density": 3.7993647045009094,
"density_atomic": 0.07908781974843024,
"volume": 177.01840870733923,
"volume_molar": 7.614498388191476,
"formula_full": "Li2 Co2 Ge2 O8",
"formula_reduced": "LiCoGeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 7
},
{
"id": "jvasp-103206",
"created_at": "2022-09-04T14:36:38.898410Z",
"updated_at": "2022-09-04T14:36:38.898440Z",
"structure_string": "Rb3 Al1 I6\n1.0\n7.485691 -0.000000 4.321866\n2.495231 7.057577 4.321866\n-0.000000 -0.000000 8.643732\nRb Al I\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.774466 0.225534 0.225534 I\n0.225534 0.225534 0.774466 I\n0.225534 0.774467 0.774467 I\n0.225534 0.774467 0.225534 I\n0.774466 0.225534 0.774467 I\n0.774466 0.774467 0.225534 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.79925404830727,
"density_atomic": 0.02189833956355029,
"volume": 456.6556277465423,
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"spacegroup": 225
},
{
"id": "jvasp-119331",
"created_at": "2022-09-04T14:38:50.573134Z",
"updated_at": "2022-09-04T14:38:50.573161Z",
"structure_string": "Li2 Mn7 F16\n1.0\n6.008450 -0.020072 7.176193\n2.593699 5.419834 7.176193\n-0.031976 -0.020072 9.359391\nLi Mn F\n2 7 16\ndirect\n0.674648 0.674649 0.674649 Li\n0.325351 0.325351 0.325351 Li\n0.000000 0.000000 0.000000 Mn\n0.114724 0.482337 0.733178 Mn\n0.517662 0.266823 0.885276 Mn\n0.266822 0.885276 0.517663 Mn\n0.733177 0.114725 0.482337 Mn\n0.482337 0.733177 0.114724 Mn\n0.885276 0.517663 0.266822 Mn\n0.829974 0.400726 0.174228 F\n0.599274 0.825771 0.170026 F\n0.376976 0.809465 -0.073859 F\n0.809465 -0.073859 0.376975 F\n0.825771 0.170026 0.599274 F\n0.403023 0.403024 0.403023 F\n0.596976 0.596976 0.596976 F\n0.400725 0.174229 0.829974 F\n0.190534 0.073859 0.623025 F\n0.623024 0.190535 0.073859 F\n0.073859 0.623024 0.190535 F\n0.170025 0.599274 0.825772 F\n-0.073860 0.376975 0.809465 F\n0.779213 0.779213 0.779213 F\n0.174228 0.829974 0.400726 F\n0.220786 0.220787 0.220787 F\n",
"nsites": 25,
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],
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"density": 3.799175449568924,
"density_atomic": 0.08142948391650126,
"volume": 307.01410346202476,
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"formula_full": "Li2 Mn7 F16",
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},
{
"id": "jvasp-35115",
"created_at": "2022-09-04T14:37:42.420922Z",
"updated_at": "2022-09-04T14:37:42.420942Z",
"structure_string": "Ba2 Mg1 B6 O12\n1.0\n3.562082 2.056467 5.527140\n-3.562000 2.056470 5.527084\n0.000044 -4.113222 5.527218\nBa Mg B O\n2 1 6 12\ndirect\n0.212853 0.212854 0.212851 Ba\n0.787147 0.787147 0.787147 Ba\n0.000000 0.000000 0.000000 Mg\n0.363369 0.644964 0.756828 B\n0.644963 0.756830 0.363368 B\n0.756828 0.363371 0.644963 B\n0.636631 0.355037 0.243171 B\n0.355036 0.243171 0.636631 B\n0.243171 0.636630 0.355036 B\n0.464647 0.572827 0.196407 O\n0.803591 0.535353 0.427173 O\n0.427171 0.803592 0.535350 O\n0.535353 0.427174 0.803592 O\n0.312082 0.084251 0.841886 O\n0.158115 0.687915 0.915749 O\n0.084250 0.841886 0.312082 O\n0.687917 0.915750 0.158113 O\n0.572828 0.196409 0.464649 O\n0.915750 0.158115 0.687917 O\n0.841885 0.312086 0.084250 O\n0.196409 0.464648 0.572826 O\n",
"nsites": 21,
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Ba-Mg-O",
"density": 3.7991655548172996,
"density_atomic": 0.086442230662774,
"volume": 242.93681270124333,
"volume_molar": 6.9666651517744915,
"formula_full": "Ba2 Mg1 B6 O12",
"formula_reduced": "Ba2Mg(BO2)6",
"formula_anonymous": "AB2C6D12",
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"spacegroup": 148
}
]
}