HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=442",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=440",
"results": [
{
"id": "jvasp-117983",
"created_at": "2022-09-04T14:38:49.348705Z",
"updated_at": "2022-09-04T14:38:49.348724Z",
"structure_string": "Ca1 N1 O2\n1.0\n3.500838 -0.000000 -0.000000\n-0.000000 3.500838 -0.000000\n0.000000 0.000000 4.296123\nCa N O\n1 1 2\ndirect\n0.500001 0.500001 0.495840 Ca\n0.000000 0.000000 0.910185 N\n0.000000 0.000000 0.608257 O\n0.500001 0.500001 0.995716 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"N",
"O"
],
"chemical_system": "Ca-N-O",
"density": 2.714865246278969,
"density_atomic": 0.07596949781630155,
"volume": 52.65271082444459,
"volume_molar": 7.927050899509524,
"formula_full": "Ca1 N1 O2",
"formula_reduced": "CaNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1677901675,
"spacegroup": 99
},
{
"id": "jvasp-122427",
"created_at": "2022-09-04T14:38:54.116514Z",
"updated_at": "2022-09-04T14:38:54.116533Z",
"structure_string": "Na4 B2 S2 O8 F6\n1.0\n5.985551 0.010846 2.658626\n0.456879 6.525221 0.629888\n0.030266 -0.018113 6.584028\nNa B S O F\n4 2 2 8 6\ndirect\n0.730066 0.850746 0.392774 Na\n0.269934 0.149255 0.607227 Na\n0.729914 0.407488 0.762207 Na\n0.270087 0.592513 0.237794 Na\n0.829780 0.882628 0.863441 B\n0.170220 0.117373 0.136560 B\n0.226049 0.644810 0.728534 S\n0.773951 0.355191 0.271467 S\n0.648854 0.206037 0.449614 O\n0.351147 0.793964 0.550387 O\n0.858465 0.507190 0.363487 O\n0.141535 0.492811 0.636514 O\n0.350112 0.552242 0.858373 O\n0.981837 0.234510 0.097826 O\n0.018164 0.765491 0.902175 O\n0.649889 0.447759 0.141628 O\n0.662019 0.917899 0.075581 F\n0.751091 0.774160 0.737349 F\n0.248909 0.225841 0.262652 F\n0.900391 0.073846 0.743719 F\n0.099609 0.926155 0.256282 F\n0.337982 0.082102 0.924420 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"B",
"S",
"O",
"F"
],
"chemical_system": "B-F-Na-O-S",
"density": 2.7155499939841765,
"density_atomic": 0.08572269879174722,
"volume": 256.6414766460666,
"volume_molar": 7.025141350985754,
"formula_full": "Na4 B2 S2 O8 F6",
"formula_reduced": "Na2BSO4F3",
"formula_anonymous": "ABC2D3E4",
"energy_above_hull": 1.3424568573484852,
"spacegroup": 2
},
{
"id": "jvasp-119186",
"created_at": "2022-09-04T14:38:36.335871Z",
"updated_at": "2022-09-04T14:38:36.335886Z",
"structure_string": "Ga1 H6 N2 F3\n1.0\n4.064977 -0.065058 3.266072\n2.128081 3.464035 3.266072\n-0.076207 -0.041825 6.832909\nGa H N F\n1 6 2 3\ndirect\n0.500000 0.500000 0.500000 Ga\n0.826597 0.826597 0.032736 H\n0.173403 0.173402 0.967264 H\n0.367226 0.957437 0.767910 H\n0.042562 0.632774 0.232090 H\n0.632774 0.042562 0.232090 H\n0.957438 0.367226 0.767910 H\n0.779914 0.779914 0.218387 N\n0.220086 0.220085 0.781613 N\n0.481529 0.481529 0.236184 F\n0.518471 0.518471 0.763816 F\n0.000000 -0.000001 0.500000 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ga",
"H",
"N",
"F"
],
"chemical_system": "F-Ga-H-N",
"density": 2.715844249559729,
"density_atomic": 0.12206945659537843,
"volume": 98.30468927027502,
"volume_molar": 4.933372301280482,
"formula_full": "Ga1 H6 N2 F3",
"formula_reduced": "GaH6N2F3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.4261158060416665,
"spacegroup": 12
},
{
"id": "jvasp-2014",
"created_at": "2022-09-04T14:36:30.444076Z",
"updated_at": "2022-09-04T14:36:30.444099Z",
"structure_string": "Rb1 H1\n1.0\n3.648460 0.000000 2.106440\n1.216153 3.439802 2.106440\n0.000000 0.000000 4.212880\nRb H\n1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"H"
],
"chemical_system": "H-Rb",
"density": 2.7159468195467986,
"density_atomic": 0.03782752029560513,
"volume": 52.87155976312737,
"volume_molar": 15.919998754715264,
"formula_full": "Rb1 H1",
"formula_reduced": "RbH",
"formula_anonymous": "AB",
"energy_above_hull": 0.4012599999999998,
"spacegroup": 225
},
{
"id": "jvasp-102241",
"created_at": "2022-09-04T14:36:42.445418Z",
"updated_at": "2022-09-04T14:36:42.445441Z",
"structure_string": "Na2 Ti1 N2\n1.0\n3.131094 0.000117 0.000357\n-1.565646 2.711583 0.000192\n-0.001632 -0.001288 8.773121\nNa Ti N\n2 1 2\ndirect\n0.666678 0.333326 0.294196 Na\n0.333319 0.666673 0.705804 Na\n0.000000 0.000000 0.000000 Ti\n0.666639 0.333325 0.877090 N\n0.333359 0.666674 0.122910 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Ti",
"N"
],
"chemical_system": "N-Na-Ti",
"density": 2.716611511534304,
"density_atomic": 0.06712549305239673,
"volume": 74.48734858598515,
"volume_molar": 8.97146596047979,
"formula_full": "Na2 Ti1 N2",
"formula_reduced": "Na2TiN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.563200566666666,
"spacegroup": 164
},
{
"id": "jvasp-21113",
"created_at": "2022-09-04T14:38:34.295129Z",
"updated_at": "2022-09-04T14:38:34.295155Z",
"structure_string": "Li4 Si4 N4 O4\n1.0\n4.785311 0.000000 0.000000\n0.000000 5.219618 0.000000\n0.000000 0.000000 6.365193\nLi Si N O\n4 4 4 4\ndirect\n0.997214 0.598415 0.387796 Li\n0.497214 0.401585 0.612203 Li\n0.497214 0.901585 0.387796 Li\n0.997214 0.098415 0.612203 Li\n0.511268 0.419579 0.121719 Si\n0.511268 0.919579 0.878281 Si\n0.011268 0.080421 0.121719 Si\n0.011268 0.580421 0.878281 Si\n0.147119 0.391523 0.086769 N\n0.647118 0.608477 0.913231 N\n0.647118 0.108477 0.086769 N\n0.147119 0.891523 0.913231 N\n0.594399 0.042374 0.653647 O\n0.094399 0.457626 0.653647 O\n0.094399 0.957626 0.346353 O\n0.594399 0.542374 0.346353 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Si",
"N",
"O"
],
"chemical_system": "Li-N-O-Si",
"density": 2.7169380844610265,
"density_atomic": 0.10063742545420822,
"volume": 158.98657907619346,
"volume_molar": 5.983997238423174,
"formula_full": "Li4 Si4 N4 O4",
"formula_reduced": "LiSiNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.3421788375,
"spacegroup": 29
},
{
"id": "jvasp-48959",
"created_at": "2022-09-04T14:36:02.592703Z",
"updated_at": "2022-09-04T14:36:02.592733Z",
"structure_string": "Li6 Fe2 B4 O12\n1.0\n5.012503 -0.018426 -0.006314\n0.051564 6.177110 -0.090936\n0.075489 2.037620 7.639572\nLi Fe B O\n6 2 4 12\ndirect\n0.172842 0.763642 0.890989 Li\n0.827663 0.531686 0.763569 Li\n0.325763 0.603191 0.574626 Li\n0.176035 0.469460 0.240771 Li\n0.677933 0.397978 0.429720 Li\n0.830843 0.237514 0.113349 Li\n0.348445 0.951423 0.232436 Fe\n0.655240 0.049726 0.771897 Fe\n0.336968 0.333140 0.927340 B\n0.169077 0.177941 0.586264 B\n0.834618 0.823213 0.418072 B\n0.666728 0.668017 0.076998 B\n0.215986 0.220892 0.085315 O\n0.787712 0.780270 0.919025 O\n0.114246 0.822473 0.412229 O\n0.699021 0.669467 0.537969 O\n0.396785 0.723983 0.102419 O\n0.205898 0.493504 0.811806 O\n0.606906 0.277169 0.901915 O\n0.797798 0.507651 0.192533 O\n0.304677 0.331691 0.466373 O\n0.889450 0.178686 0.592111 O\n0.296711 0.016400 0.717269 O\n0.706982 0.984741 0.287060 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 2.717020366621627,
"density_atomic": 0.10106077894018332,
"volume": 237.48085312310243,
"volume_molar": 5.958929688800869,
"formula_full": "Li6 Fe2 B4 O12",
"formula_reduced": "Li3Fe(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.7527826388888887,
"spacegroup": 2
},
{
"id": "jvasp-44400",
"created_at": "2022-09-04T14:38:34.811995Z",
"updated_at": "2022-09-04T14:38:34.812010Z",
"structure_string": "Li6 Fe1 O6\n1.0\n5.383323 0.026458 0.001366\n2.396537 4.818415 0.001361\n2.413640 1.504475 4.570757\nLi Fe O\n6 1 6\ndirect\n0.716938 0.493276 0.076088 Li\n0.923895 0.282629 0.506479 Li\n0.506744 0.923991 0.282773 Li\n0.493256 0.076009 0.717228 Li\n0.076105 0.717371 0.493522 Li\n0.283062 0.506724 0.923914 Li\n0.000000 0.000000 0.000000 Fe\n0.904360 0.651705 0.202465 O\n0.797183 0.095361 0.348258 O\n0.348050 0.797219 0.095826 O\n0.651949 0.202781 0.904175 O\n0.202816 0.904640 0.651743 O\n0.095640 0.348295 0.797536 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 2.717079533318229,
"density_atomic": 0.10993700899818636,
"volume": 118.24953324148069,
"volume_molar": 5.477810261419198,
"formula_full": "Li6 Fe1 O6",
"formula_reduced": "Li6FeO6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 1.946261269230769,
"spacegroup": 148
},
{
"id": "jvasp-107100",
"created_at": "2022-09-04T14:37:02.724468Z",
"updated_at": "2022-09-04T14:37:02.724494Z",
"structure_string": "Li2 In1 Cu1 Cl6\n1.0\n6.102968 -0.000000 3.523550\n2.034323 5.753934 3.523550\n-0.000000 -0.000000 7.047101\nLi In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745374 0.254626 0.254626 Cl\n0.254626 0.254626 0.745374 Cl\n0.254626 0.745373 0.745374 Cl\n0.254626 0.745373 0.254626 Cl\n0.745374 0.254626 0.745374 Cl\n0.745374 0.745373 0.254626 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"In",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-In-Li",
"density": 2.7173717131998947,
"density_atomic": 0.04040950543699514,
"volume": 247.4665277849439,
"volume_molar": 14.902782637093832,
"formula_full": "Li2 In1 Cu1 Cl6",
"formula_reduced": "Li2InCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0233914825,
"spacegroup": 225
},
{
"id": "jvasp-46001",
"created_at": "2022-09-04T14:38:08.373613Z",
"updated_at": "2022-09-04T14:38:08.373625Z",
"structure_string": "Li6 Sb2 S8\n1.0\n-0.000000 7.845351 0.000000\n-5.897448 3.922676 -1.817366\n3.797573 -3.922676 8.324499\nLi Sb S\n6 2 8\ndirect\n0.919198 0.061154 0.631532 Li\n0.651179 0.561154 0.131531 Li\n0.437400 0.580911 0.680364 Li\n0.313031 0.452653 0.882416 Li\n0.662053 0.080911 0.180364 Li\n0.116732 0.952652 0.382415 Li\n0.830247 0.755649 0.720769 Sb\n0.134873 0.255649 0.220769 Sb\n0.011160 0.671032 0.044460 S\n0.660971 0.861568 0.484070 S\n0.232354 0.661774 0.458501 S\n0.435932 0.828555 0.030283 S\n0.564372 0.161775 0.958502 S\n0.765796 0.328555 0.530283 S\n0.362268 0.171033 0.544460 S\n0.961531 0.361568 0.984070 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.7174220843082226,
"density_atomic": 0.0483370758755205,
"volume": 331.00885211186164,
"volume_molar": 12.458636876397838,
"formula_full": "Li6 Sb2 S8",
"formula_reduced": "Li3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5285107625,
"spacegroup": 9
},
{
"id": "jvasp-115863",
"created_at": "2022-09-04T14:38:40.128127Z",
"updated_at": "2022-09-04T14:38:40.128168Z",
"structure_string": "Li1 I1 Cl1\n1.0\n5.256858 0.000000 0.000000\n-2.628429 4.552572 -0.000000\n0.000000 0.000000 4.322601\nLi I Cl\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Li\n0.333333 0.666666 0.000000 I\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"I",
"Cl"
],
"chemical_system": "Cl-I-Li",
"density": 2.7175272788949942,
"density_atomic": 0.028999668688620063,
"volume": 103.44945772353766,
"volume_molar": 20.766239865227096,
"formula_full": "Li1 I1 Cl1",
"formula_reduced": "LiICl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0282199999999999,
"spacegroup": 187
},
{
"id": "jvasp-120324",
"created_at": "2022-09-04T14:38:51.455898Z",
"updated_at": "2022-09-04T14:38:51.455917Z",
"structure_string": "Mg1 C2\n1.0\n2.509075 0.382967 0.528782\n-0.608471 -5.202543 0.051718\n-0.757896 -0.436453 -2.451646\nMg C\n1 2\ndirect\n-0.078569 0.874937 -0.303118 Mg\n0.749737 0.366103 0.865174 C\n0.091648 0.383637 0.530315 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 2.7176401755864736,
"density_atomic": 0.10159671532372744,
"volume": 29.52851369693213,
"volume_molar": 5.927495530550442,
"formula_full": "Mg1 C2",
"formula_reduced": "MgC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.474516349999999,
"spacegroup": 12
}
]
}