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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1139",
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"results": [
{
"id": "jvasp-118991",
"created_at": "2022-09-04T14:38:52.409035Z",
"updated_at": "2022-09-04T14:38:52.409062Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.827432 0.035946 -0.187317\n-0.055301 4.978128 0.090787\n-0.346663 0.314301 16.380651\nLi Mn Co O\n8 2 4 14\ndirect\n0.925205 0.357853 0.850333 Li\n0.352072 0.228493 0.703645 Li\n0.784313 0.070256 0.567673 Li\n0.217209 0.924291 0.434338 Li\n0.646942 0.789647 0.294076 Li\n0.074188 0.638359 0.148858 Li\n0.500917 0.493495 0.002184 Li\n0.285125 0.573095 0.569976 Li\n0.000391 -0.002436 0.000992 Mn\n0.428183 0.852607 0.856803 Mn\n0.142996 0.287606 0.285849 Co\n0.571872 0.138732 0.143869 Co\n0.854603 0.714983 0.709492 Co\n0.716164 0.434097 0.431789 Co\n0.534564 0.837319 0.068857 O\n0.465658 0.156031 0.932051 O\n0.895941 0.011569 0.792763 O\n0.325299 0.877510 0.651322 O\n0.746528 0.733908 0.492569 O\n0.179221 0.577982 0.358452 O\n0.607650 0.433358 0.215674 O\n0.036580 0.291163 0.073763 O\n0.392816 0.564446 0.785528 O\n0.824189 0.416848 0.648425 O\n0.245916 0.269437 0.490789 O\n0.676045 0.143078 0.351461 O\n0.105521 -0.007440 0.210667 O\n0.963901 0.693727 0.927801 O\n",
"nsites": 28,
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"elements": [
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"Mn",
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"O"
],
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"density": 4.509465616393132,
"density_atomic": 0.1216367297594304,
"volume": 230.19362700212005,
"volume_molar": 4.950922942363229,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 8
},
{
"id": "jvasp-21846",
"created_at": "2022-09-04T14:37:37.228260Z",
"updated_at": "2022-09-04T14:37:37.228280Z",
"structure_string": "Sm4 Cd2 Pd4\n1.0\n7.763739 0.000000 0.000000\n-0.000000 7.763739 0.000000\n0.000000 -0.000000 3.818958\nSm Cd Pd\n4 2 4\ndirect\n0.326974 0.826974 0.500000 Sm\n0.826974 0.673026 0.500000 Sm\n0.173026 0.326974 0.500000 Sm\n0.673026 0.173026 0.500000 Sm\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.371977 0.128023 0.000000 Pd\n0.871977 0.371977 0.000000 Pd\n0.128023 0.628023 0.000000 Pd\n0.628023 0.871977 0.000000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Sm",
"density": 9.031223098885109,
"density_atomic": 0.04344234537641888,
"volume": 230.19015003338518,
"volume_molar": 13.86237485066564,
"formula_full": "Sm4 Cd2 Pd4",
"formula_reduced": "Sm2CdPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7945197800000001,
"spacegroup": 127
},
{
"id": "jvasp-112916",
"created_at": "2022-09-04T14:38:45.213340Z",
"updated_at": "2022-09-04T14:38:45.213376Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.817033 0.061830 0.367452\n1.108212 7.375255 1.277391\n-0.009234 -0.114600 11.097054\nLi Mn Co O\n8 2 4 14\ndirect\n0.772284 0.362865 0.093254 Li\n0.937015 0.775271 0.350376 Li\n0.069719 0.217033 0.643288 Li\n0.218085 0.633685 0.930110 Li\n0.352362 0.075098 0.220528 Li\n0.504148 0.510271 0.481315 Li\n0.648081 0.924265 0.779177 Li\n0.137456 0.439620 0.285826 Li\n0.001029 0.998168 -0.000269 Mn\n0.711999 0.151217 0.424626 Mn\n0.573889 0.709052 0.143338 Co\n0.858418 0.569056 0.714087 Co\n0.286069 0.856073 0.571730 Co\n0.428097 0.285357 0.858488 Co\n0.881658 0.689283 0.547725 O\n0.402380 0.166319 0.028511 O\n0.535402 0.619785 0.309445 O\n0.688431 0.023258 0.599453 O\n0.833925 0.449946 0.881915 O\n0.974927 0.885218 0.164671 O\n0.114817 0.304966 0.464884 O\n0.262160 0.736413 0.738900 O\n0.168829 0.554543 0.108322 O\n0.309272 0.976194 0.405527 O\n0.453050 0.401675 0.692525 O\n0.599686 0.833884 0.967069 O\n0.750055 0.235843 0.263942 O\n0.026753 0.115636 0.831234 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509619672236252,
"density_atomic": 0.12164088520722656,
"volume": 230.185763218505,
"volume_molar": 4.950753810892384,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 8
},
{
"id": "jvasp-34547",
"created_at": "2022-09-04T14:37:13.612063Z",
"updated_at": "2022-09-04T14:37:13.612095Z",
"structure_string": "Sr4 Li2 Si2 O8 F2\n1.0\n0.000000 6.576125 0.015723\n5.429618 0.000000 0.000000\n0.000000 -2.657561 -6.452864\nSr Li Si O F\n4 2 2 8 2\ndirect\n0.839351 0.250000 0.627315 Sr\n0.635469 0.750000 0.900093 Sr\n0.160650 0.750000 0.372685 Sr\n0.364532 0.250000 0.099906 Sr\n0.851862 0.250000 0.119606 Li\n0.148139 0.750000 0.880394 Li\n0.655186 0.750000 0.335166 Si\n0.344815 0.250000 0.664834 Si\n0.221497 0.494063 0.710678 O\n0.778504 0.994063 0.289322 O\n0.221497 0.005937 0.710678 O\n0.596820 0.250000 0.845592 O\n0.778504 0.505937 0.289322 O\n0.403181 0.750000 0.154407 O\n0.341776 0.250000 0.430232 O\n0.658225 0.750000 0.569767 O\n0.000000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
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"Li",
"Si",
"O",
"F"
],
"chemical_system": "F-Li-O-Si-Sr",
"density": 4.2312787350604415,
"density_atomic": 0.07820031637621609,
"volume": 230.17809689417746,
"volume_molar": 7.700916107586974,
"formula_full": "Sr4 Li2 Si2 O8 F2",
"formula_reduced": "Sr2LiSiO4F",
"formula_anonymous": "ABCD2E4",
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"spacegroup": 11
},
{
"id": "jvasp-119422",
"created_at": "2022-09-04T14:38:51.312643Z",
"updated_at": "2022-09-04T14:38:51.312660Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.840785 -0.014689 -0.066511\n-1.477194 8.490738 -4.071832\n0.227597 0.115164 9.489633\nLi Mn Co O\n8 2 4 14\ndirect\n0.925715 0.851161 0.218746 Li\n0.215945 0.431643 0.360786 Li\n0.509787 0.019225 0.514217 Li\n0.775411 0.550401 0.637633 Li\n0.076609 0.153653 0.778764 Li\n0.351739 0.703082 0.926957 Li\n0.647376 0.295271 0.067763 Li\n0.142827 0.285327 0.580144 Li\n0.998053 0.996090 0.996763 Mn\n0.575341 0.150805 0.295313 Mn\n0.428194 0.856551 0.713681 Co\n0.712882 0.425563 0.850939 Co\n0.286244 0.572550 0.142258 Co\n0.857155 0.714437 0.429145 Co\n0.814654 0.628952 0.038659 O\n0.468371 0.937118 0.100705 O\n0.758224 0.516959 0.246774 O\n0.037456 0.075418 0.378469 O\n0.329777 0.660094 0.535107 O\n0.612244 0.224486 0.690140 O\n0.899109 0.798758 0.819873 O\n0.187011 0.374293 0.963279 O\n0.385639 0.771026 0.325262 O\n0.672059 0.344214 0.445118 O\n0.955788 0.911323 0.610535 O\n0.247115 0.493640 0.760790 O\n0.529821 0.059223 0.897292 O\n0.099509 0.198731 0.174890 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509868808651514,
"density_atomic": 0.12164760532472922,
"volume": 230.17304718211332,
"volume_molar": 4.9504803188886,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.555560252955665,
"spacegroup": 8
},
{
"id": "jvasp-12731",
"created_at": "2022-09-04T14:37:06.843280Z",
"updated_at": "2022-09-04T14:37:06.843295Z",
"structure_string": "Na2 Mn2 Cl6\n1.0\n5.845374 -0.008193 4.261165\n2.162413 5.430694 4.261164\n-0.012099 -0.008192 7.233655\nNa Mn Cl\n2 2 6\ndirect\n0.853211 0.853213 0.853213 Na\n0.146787 0.146787 0.146787 Na\n0.659031 0.659032 0.659032 Mn\n0.340967 0.340968 0.340968 Mn\n0.931959 0.551684 0.282655 Cl\n0.282655 0.931960 0.551685 Cl\n0.448315 0.717344 0.068040 Cl\n0.068039 0.448316 0.717345 Cl\n0.717344 0.068040 0.448316 Cl\n0.551683 0.282656 0.931961 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Mn",
"Cl"
],
"chemical_system": "Cl-Mn-Na",
"density": 2.6590913217388894,
"density_atomic": 0.04344701030647155,
"volume": 230.16543438687364,
"volume_molar": 13.860886439642973,
"formula_full": "Na2 Mn2 Cl6",
"formula_reduced": "NaMnCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-116507",
"created_at": "2022-09-04T14:38:42.474699Z",
"updated_at": "2022-09-04T14:38:42.474718Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.667234 -0.008838 3.994169\n8.203562 2.796888 3.994169\n0.031573 0.005218 9.481292\nLi Mn Co O\n8 2 4 14\ndirect\n0.360226 0.360227 0.074462 Li\n0.057929 0.057929 0.229553 Li\n0.798990 0.798992 0.353963 Li\n0.495625 0.495627 0.494578 Li\n0.216098 0.216099 0.640309 Li\n0.928105 0.928108 0.779252 Li\n0.642642 0.642645 0.923614 Li\n0.428561 0.428562 0.295009 Li\n0.997111 0.997112 0.006748 Mn\n0.713926 0.713927 0.142833 Mn\n0.572519 0.572520 0.712468 Co\n0.284639 0.284641 0.857398 Co\n0.143570 0.143571 0.428087 Co\n0.857991 0.857993 0.568053 Co\n0.813530 0.813532 0.963210 O\n0.472013 0.472015 0.891128 O\n0.183104 0.183104 0.040859 O\n0.900019 0.900020 0.160741 O\n0.614964 0.614965 0.321646 O\n0.323731 0.323732 0.477964 O\n0.045413 0.045414 0.608744 O\n0.756525 0.756527 0.755739 O\n0.244619 0.244619 0.245436 O\n0.958572 0.958573 0.407176 O\n0.670801 0.670802 0.531374 O\n0.383440 0.383441 0.680884 O\n0.101482 0.101483 0.816204 O\n0.533831 0.533832 0.092573 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 4.510073211913051,
"density_atomic": 0.1216531188259732,
"volume": 230.16261539545454,
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 8
},
{
"id": "jvasp-66305",
"created_at": "2022-09-04T14:36:04.967681Z",
"updated_at": "2022-09-04T14:36:04.967719Z",
"structure_string": "Ba4 Si1 Ge1\n1.0\n-0.000000 4.864083 4.864083\n4.864083 -0.000000 4.864083\n4.864083 4.864083 0.000000\nBa Si Ge\n4 1 1\ndirect\n0.124676 0.625108 0.625108 Ba\n0.625108 0.625108 0.625108 Ba\n0.625108 0.124676 0.625108 Ba\n0.625108 0.625108 0.124676 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
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"elements": [
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],
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"density": 4.6897739454961975,
"density_atomic": 0.02606863693220611,
"volume": 230.16163122005773,
"volume_molar": 23.101095679306635,
"formula_full": "Ba4 Si1 Ge1",
"formula_reduced": "Ba4SiGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6304147383333333,
"spacegroup": 216
},
{
"id": "jvasp-40689",
"created_at": "2022-09-04T14:38:30.737296Z",
"updated_at": "2022-09-04T14:38:30.737305Z",
"structure_string": "Li8 V2 F12\n1.0\n3.007837 0.000000 0.000000\n0.000000 8.169880 -0.000000\n0.000000 -0.000000 9.365739\nLi V F\n8 2 12\ndirect\n0.500001 0.807739 0.186503 Li\n0.000000 0.363816 0.579464 Li\n0.000000 0.136184 0.079464 Li\n0.500001 0.692261 0.686503 Li\n0.500001 0.307739 0.313497 Li\n0.000000 0.863816 0.920536 Li\n0.000000 0.636185 0.420536 Li\n0.500001 0.192261 0.813497 Li\n0.500001 0.000000 0.500000 V\n0.500001 0.500000 0.000000 V\n0.000000 0.902799 0.627726 F\n0.000000 0.597201 0.127726 F\n0.500001 0.728075 0.885758 F\n0.000000 0.415642 0.381647 F\n0.000000 0.584358 0.618353 F\n0.000000 0.915642 0.118353 F\n0.000000 0.402799 0.872274 F\n0.000000 0.097201 0.372274 F\n0.500001 0.228075 0.614242 F\n0.500001 0.771925 0.385758 F\n0.500001 0.271925 0.114242 F\n0.000000 0.084358 0.881647 F\n",
"nsites": 22,
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"elements": [
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"V",
"F"
],
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"density": 2.78060682726978,
"density_atomic": 0.09558960234381886,
"volume": 230.15055466880068,
"volume_molar": 6.299995619125423,
"formula_full": "Li8 V2 F12",
"formula_reduced": "Li4VF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4207914450000001,
"spacegroup": 55
},
{
"id": "jvasp-66621",
"created_at": "2022-09-04T14:36:07.847161Z",
"updated_at": "2022-09-04T14:36:07.847177Z",
"structure_string": "Ba4 V1 Si1\n1.0\n-0.000000 4.863997 4.863997\n4.863997 0.000000 4.863997\n4.863997 4.863997 0.000000\nBa V Si\n4 1 1\ndirect\n0.126728 0.624424 0.624424 Ba\n0.624424 0.624424 0.624424 Ba\n0.624424 0.126728 0.624424 Ba\n0.624424 0.624424 0.126728 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Si\n",
"nsites": 6,
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"elements": [
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"V",
"Si"
],
"chemical_system": "Ba-Si-V",
"density": 4.533466996114211,
"density_atomic": 0.026070019710042115,
"volume": 230.1494232353347,
"volume_molar": 23.09987037593334,
"formula_full": "Ba4 V1 Si1",
"formula_reduced": "Ba4VSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3977561133333332,
"spacegroup": 216
},
{
"id": "jvasp-37016",
"created_at": "2022-09-04T14:37:55.588174Z",
"updated_at": "2022-09-04T14:37:55.588197Z",
"structure_string": "K4 O8\n1.0\n6.128216 0.000000 -0.000000\n0.000000 6.128216 0.000000\n0.000000 -0.000000 6.128216\nK O\n4 8\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.436084 0.063916 0.936085 O\n0.063916 0.936085 0.436084 O\n0.936085 0.436084 0.063916 O\n0.563916 0.563916 0.563916 O\n0.436084 0.436084 0.436084 O\n0.063916 0.563916 0.936085 O\n0.936085 0.063916 0.563916 O\n0.563916 0.936085 0.063916 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "K-O",
"density": 2.0519122402106644,
"density_atomic": 0.05214096359198548,
"volume": 230.145343954566,
"volume_molar": 11.549730471275096,
"formula_full": "K4 O8",
"formula_reduced": "KO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9643834166666666,
"spacegroup": 205
},
{
"id": "jvasp-11011",
"created_at": "2022-09-04T14:37:09.897090Z",
"updated_at": "2022-09-04T14:37:09.897112Z",
"structure_string": "Mn4 Zn1 S8\n1.0\n6.876443 0.002498 0.001766\n3.440384 5.958920 0.000000\n3.440384 1.986306 5.618125\nMn Zn S\n4 1 8\ndirect\n-0.000001 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.500000 0.000000 0.000000 Zn\n0.263144 0.254078 0.254078 S\n0.263143 0.254079 0.728700 S\n0.263143 0.728700 0.254078 S\n0.729058 0.256980 0.256980 S\n0.270940 0.743021 0.743020 S\n0.736855 0.745922 0.271300 S\n0.736855 0.271301 0.745922 S\n0.736854 0.745923 0.745922 S\n",
"nsites": 13,
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"elements": [
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"Zn",
"S"
],
"chemical_system": "Mn-S-Zn",
"density": 3.9084691268148117,
"density_atomic": 0.05648812945597487,
"volume": 230.13684689509512,
"volume_molar": 10.660896046652551,
"formula_full": "Mn4 Zn1 S8",
"formula_reduced": "Mn4ZnS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.839109951193634,
"spacegroup": 166
}
]
}