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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3538",
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"results": [
{
"id": "jvasp-47885",
"created_at": "2022-09-04T14:37:06.193566Z",
"updated_at": "2022-09-04T14:37:06.193580Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.598137 0.000000 0.000000\n0.000000 5.885690 0.000000\n0.000000 0.000000 9.990649\nLi Co Si O\n4 4 4 16\ndirect\n0.019371 0.006527 0.220829 Li\n0.480629 0.006527 0.720829 Li\n0.519371 0.506527 0.279171 Li\n0.980630 0.506527 0.779171 Li\n-0.000002 0.256525 0.500002 Co\n0.500002 0.256525 0.000001 Co\n0.499998 0.756524 -0.000001 Co\n0.000002 0.756524 0.499999 Co\n0.922799 0.006529 0.912504 Si\n0.577202 0.006529 0.412504 Si\n0.422799 0.506529 0.587497 Si\n0.077202 0.506529 0.087497 Si\n0.778321 0.238887 0.852280 O\n0.782653 0.506531 0.581356 O\n0.717348 0.506531 0.081356 O\n0.721680 0.238887 0.352280 O\n0.721680 0.774172 0.352279 O\n0.760515 0.006531 0.561995 O\n0.239486 0.506531 0.438005 O\n0.221679 0.274172 0.147721 O\n0.278321 0.738887 0.647720 O\n0.282652 0.006531 0.918644 O\n0.217348 0.006531 0.418644 O\n0.221679 0.738887 0.147720 O\n0.778321 0.774172 0.852279 O\n0.260515 0.506531 0.938005 O\n0.278321 0.274172 0.647721 O\n0.739486 0.006531 0.061995 O\n",
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"elements": [
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"O"
],
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"density": 3.8803936447338336,
"density_atomic": 0.1035583302348303,
"volume": 270.37902152831947,
"volume_molar": 5.815216164980751,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-22346",
"created_at": "2022-09-04T14:36:46.702551Z",
"updated_at": "2022-09-04T14:36:46.702562Z",
"structure_string": "V4 Ge1 S8\n1.0\n5.939037 0.000000 3.428904\n1.979679 5.599378 3.428904\n0.000000 -0.000000 6.857809\nV Ge S\n4 1 8\ndirect\n0.603668 0.188999 0.603667 V\n0.188999 0.603667 0.603667 V\n0.603668 0.603667 0.188998 V\n0.603668 0.603667 0.603666 V\n0.000000 0.000000 0.000000 Ge\n0.863469 0.409595 0.863468 S\n0.409595 0.863469 0.863468 S\n0.863469 0.863469 0.409593 S\n0.863469 0.863469 0.863467 S\n0.370366 0.888903 0.370365 S\n0.370366 0.370366 0.370365 S\n0.370366 0.370366 0.888902 S\n0.888904 0.370366 0.370365 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"V",
"Ge",
"S"
],
"chemical_system": "Ge-S-V",
"density": 3.88038487844603,
"density_atomic": 0.05700358236184567,
"volume": 228.05584248160022,
"volume_molar": 10.564495265881417,
"formula_full": "V4 Ge1 S8",
"formula_reduced": "V4GeS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.0828894423076925,
"spacegroup": 216
},
{
"id": "jvasp-101663",
"created_at": "2022-09-04T14:36:40.651595Z",
"updated_at": "2022-09-04T14:36:40.651623Z",
"structure_string": "Ba8 Pd2\n1.0\n8.018339 -0.000000 4.629390\n2.672780 7.559763 4.629390\n-0.000000 -0.000000 9.258781\nBa Pd\n8 2\ndirect\n0.380813 0.380813 0.380813 Ba\n0.380813 0.380813 0.857560 Ba\n0.380813 0.857560 0.380813 Ba\n0.869187 0.869186 0.392440 Ba\n0.869187 0.869186 0.869187 Ba\n0.857560 0.380813 0.380813 Ba\n0.869187 0.392440 0.869187 Ba\n0.392440 0.869186 0.869187 Ba\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ba",
"Pd"
],
"chemical_system": "Ba-Pd",
"density": 3.8802205923851734,
"density_atomic": 0.01781778008203807,
"volume": 561.2371436821641,
"volume_molar": 33.798490789943365,
"formula_full": "Ba8 Pd2",
"formula_reduced": "Ba4Pd",
"formula_anonymous": "AB4",
"energy_above_hull": 0.127473916,
"spacegroup": 227
},
{
"id": "jvasp-52142",
"created_at": "2022-09-04T14:37:13.801835Z",
"updated_at": "2022-09-04T14:37:13.801856Z",
"structure_string": "Li3 Mn3 O8\n1.0\n5.785373 0.043928 0.031062\n2.930729 4.988316 0.031062\n2.930729 1.692058 4.692676\nLi Mn O\n3 3 8\ndirect\n0.004545 0.004545 0.004545 Li\n0.245455 0.245455 0.245455 Li\n0.624999 0.625001 0.625000 Li\n0.125000 0.625001 0.625000 Mn\n0.624999 0.125001 0.625000 Mn\n0.625000 0.625001 0.125000 Mn\n0.385580 0.385581 0.385580 O\n0.375482 0.375483 0.834742 O\n0.375482 0.834743 0.375482 O\n0.834741 0.375483 0.375482 O\n0.415257 0.874519 0.874518 O\n0.874517 0.874519 0.415258 O\n0.874517 0.415259 0.874518 O\n0.864419 0.864421 0.864420 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.880103152854771,
"density_atomic": 0.10430409957902037,
"volume": 134.22291220100755,
"volume_molar": 5.773637646368492,
"formula_full": "Li3 Mn3 O8",
"formula_reduced": "Li3Mn3O8",
"formula_anonymous": "A3B3C8",
"energy_above_hull": 2.867483551724137,
"spacegroup": 166
},
{
"id": "jvasp-8269",
"created_at": "2022-09-04T14:36:53.644628Z",
"updated_at": "2022-09-04T14:36:53.644638Z",
"structure_string": "V1 O2\n1.0\n5.124892 -0.468486 -0.277475\n4.564585 2.376673 -0.277475\n4.564585 0.898921 2.217544\nV O\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.599036 0.599034 0.599038 O\n0.400963 0.400962 0.400964 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.880083978428365,
"density_atomic": 0.08451770208255101,
"volume": 35.49552254827999,
"volume_molar": 7.125301104516534,
"formula_full": "V1 O2",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"id": "jvasp-36623",
"created_at": "2022-09-04T14:37:30.279662Z",
"updated_at": "2022-09-04T14:37:30.279679Z",
"structure_string": "Mg1 V1 O3\n1.0\n3.750238 0.000000 -0.000000\n0.000000 3.750238 -0.000000\n0.000000 0.000000 3.750238\nMg V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.8800816011274573,
"density_atomic": 0.09479676436532626,
"volume": 52.74441626225848,
"volume_molar": 6.352685980707074,
"formula_full": "Mg1 V1 O3",
"formula_reduced": "MgVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.81378875,
"spacegroup": 221
},
{
"id": "jvasp-87096",
"created_at": "2022-09-04T14:36:11.138089Z",
"updated_at": "2022-09-04T14:36:11.138115Z",
"structure_string": "Rb4 Mn2 Se4\n1.0\n6.099670 0.000000 -2.577445\n-1.330325 6.374009 -3.148289\n-0.031771 0.054387 8.431142\nRb Mn Se\n4 2 4\ndirect\n0.646992 0.811957 0.293985 Rb\n0.353009 0.188044 0.706016 Rb\n0.853009 0.517974 0.706016 Rb\n0.146992 0.482027 0.293985 Rb\n0.750000 -0.000000 0.000000 Mn\n0.250000 -0.000000 0.000000 Mn\n0.602283 0.291100 0.204566 Se\n0.897717 0.086534 0.795435 Se\n0.102284 0.913466 0.204566 Se\n0.397718 0.708900 0.795434 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Se"
],
"chemical_system": "Mn-Rb-Se",
"density": 3.8800130824263497,
"density_atomic": 0.0304408179310626,
"volume": 328.50628464210024,
"volume_molar": 19.78311086659354,
"formula_full": "Rb4 Mn2 Se4",
"formula_reduced": "Rb2MnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9042527949425284,
"spacegroup": 72
},
{
"id": "jvasp-26821",
"created_at": "2022-09-04T14:38:28.995814Z",
"updated_at": "2022-09-04T14:38:28.995846Z",
"structure_string": "Pr6 Si4 S16 Cl2\n1.0\n7.718618 -0.000000 -0.000000\n-3.859309 7.758397 -1.041598\n-0.000000 -0.044327 11.024424\nPr Si S Cl\n6 4 16 2\ndirect\n0.314157 0.387523 0.184819 Pr\n0.624116 -0.000000 0.250000 Pr\n0.073366 0.387523 0.684819 Pr\n0.926634 0.612477 0.315181 Pr\n0.375884 -0.000000 0.750000 Pr\n0.685843 0.612477 0.815180 Pr\n0.372699 0.681129 0.472450 Si\n0.691569 0.318871 0.027550 Si\n0.308431 0.681129 0.972450 Si\n0.627301 0.318871 0.527550 Si\n0.554488 0.293241 0.337762 S\n0.275680 0.871042 0.454492 S\n0.404637 0.128958 0.045508 S\n0.445512 0.706759 0.662237 S\n0.604386 0.707745 0.359248 S\n0.142141 0.429911 0.415354 S\n0.896642 0.292257 0.140752 S\n0.857859 0.570089 0.584646 S\n0.261246 0.706759 0.162238 S\n0.595363 0.871042 0.954492 S\n0.287770 0.429911 0.915354 S\n0.103358 0.707744 0.859248 S\n0.712230 0.570089 0.084646 S\n0.395614 0.292256 0.640751 S\n0.724321 0.128958 0.545507 S\n0.738754 0.293241 0.837762 S\n0.000433 -0.000000 0.250000 Cl\n-0.000433 -0.000000 0.750000 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"Cl"
],
"chemical_system": "Cl-Pr-S-Si",
"density": 3.8799449554133387,
"density_atomic": 0.042435084989538054,
"volume": 659.831363761923,
"volume_molar": 14.191419108703796,
"formula_full": "Pr6 Si4 S16 Cl2",
"formula_reduced": "Pr3Si2S8Cl",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.230908629821428,
"spacegroup": 15
},
{
"id": "jvasp-112855",
"created_at": "2022-09-04T14:38:44.245526Z",
"updated_at": "2022-09-04T14:38:44.245564Z",
"structure_string": "Li4 Fe4 O4 F8\n1.0\n6.313587 0.048413 0.720526\n0.552512 6.289551 0.720526\n0.001336 0.001233 5.038403\nLi Fe O F\n4 4 4 8\ndirect\n0.770894 0.597799 0.690593 Li\n0.597800 0.770893 0.190593 Li\n0.402201 0.229106 0.809408 Li\n0.229107 0.402200 0.309408 Li\n0.928910 0.071090 0.750000 Fe\n0.242023 0.757977 0.750000 Fe\n0.757978 0.242022 0.250001 Fe\n0.071091 0.928909 0.250001 Fe\n0.020542 0.190304 0.390356 O\n0.190304 0.020541 0.890356 O\n0.809696 0.979458 0.109645 O\n0.979459 0.809695 0.609645 O\n0.522814 0.715790 0.866385 F\n0.873376 0.350262 0.895592 F\n0.715791 0.522812 0.366385 F\n0.350263 0.873375 0.395592 F\n0.649738 0.126624 0.604408 F\n0.284210 0.477187 0.633616 F\n0.126625 0.649737 0.104409 F\n0.477187 0.284209 0.133616 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.879840410064136,
"density_atomic": 0.10003640881637246,
"volume": 199.92720886964406,
"volume_molar": 6.019948967834585,
"formula_full": "Li4 Fe4 O4 F8",
"formula_reduced": "LiFeOF2",
"formula_anonymous": "ABCD2",
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"spacegroup": 15
},
{
"id": "jvasp-107389",
"created_at": "2022-09-04T14:36:51.563224Z",
"updated_at": "2022-09-04T14:36:51.563242Z",
"structure_string": "K1 Rb2 Co1 F6\n1.0\n5.320036 -0.000000 3.071524\n1.773345 5.015778 3.071524\n-0.000000 -0.000000 6.143049\nK Rb Co F\n1 2 1 6\ndirect\n0.500001 0.500000 0.499999 K\n0.750001 0.750000 0.749998 Rb\n0.250000 0.250000 0.249999 Rb\n0.000000 0.000000 0.000000 Co\n0.785528 0.214473 0.214472 F\n0.785528 0.785527 0.214471 F\n0.214473 0.214473 0.785527 F\n0.214474 0.785527 0.785526 F\n0.785528 0.214473 0.785526 F\n0.214474 0.785527 0.214472 F\n",
"nsites": 10,
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"elements": [
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"Co",
"F"
],
"chemical_system": "Co-F-K-Rb",
"density": 3.8793845878612334,
"density_atomic": 0.061004678566373496,
"volume": 163.92185378241004,
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"formula_full": "K1 Rb2 Co1 F6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117931",
"created_at": "2022-09-04T14:38:51.852175Z",
"updated_at": "2022-09-04T14:38:51.852202Z",
"structure_string": "Y1 C1 N2\n1.0\n1.744428 1.007146 5.235331\n-1.744428 1.007146 5.235331\n0.000000 -2.014292 5.235331\nY C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.499998 C\n0.421004 0.421004 0.421002 N\n0.578998 0.578998 0.578995 N\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.87937743477808,
"density_atomic": 0.07248015525166893,
"volume": 55.18751975780151,
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"formula_full": "Y1 C1 N2",
"formula_reduced": "YCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.6068254875,
"spacegroup": 166
},
{
"id": "jvasp-66027",
"created_at": "2022-09-04T14:35:42.269808Z",
"updated_at": "2022-09-04T14:35:42.269839Z",
"structure_string": "Ba1 Ge1 Br1\n1.0\n-0.000000 3.958839 3.958839\n3.958839 0.000000 3.958839\n3.958839 3.958839 -0.000000\nBa Ge Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Br"
],
"chemical_system": "Ba-Br-Ge",
"density": 3.8790050993103513,
"density_atomic": 0.024176183258978034,
"volume": 124.0890659978731,
"volume_molar": 24.909394073870722,
"formula_full": "Ba1 Ge1 Br1",
"formula_reduced": "BaGeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0385286533333332,
"spacegroup": 216
}
]
}