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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4353",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4351",
"results": [
{
"id": "jvasp-113632",
"created_at": "2022-09-04T14:38:46.254317Z",
"updated_at": "2022-09-04T14:38:46.254333Z",
"structure_string": "Ge1 H2\n1.0\n2.554716 0.057196 -0.544242\n0.094625 -3.487931 0.077999\n0.158080 -1.830615 -3.973005\nGe H\n1 2\ndirect\n0.102806 0.895660 0.049420 Ge\n0.950555 0.694624 0.451534 H\n0.139230 0.436727 -0.032733 H\n",
"nsites": 3,
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"elements": [
"Ge",
"H"
],
"chemical_system": "Ge-H",
"density": 3.483906842783858,
"density_atomic": 0.0843091424649553,
"volume": 35.58332954515588,
"volume_molar": 7.142927307679849,
"formula_full": "Ge1 H2",
"formula_reduced": "GeH2",
"formula_anonymous": "AB2",
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"spacegroup": 8
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{
"id": "jvasp-115459",
"created_at": "2022-09-04T14:38:46.372073Z",
"updated_at": "2022-09-04T14:38:46.372093Z",
"structure_string": "Au1 S3\n1.0\n5.259554 -0.069888 0.039107\n-3.888808 -3.224101 -0.077212\n0.988536 -1.863921 -4.888692\nAu S\n1 3\ndirect\n0.061002 0.487454 0.022600 Au\n0.034115 -0.020748 0.968934 S\n0.283086 0.186960 0.545149 S\n0.508627 -0.014642 0.505924 S\n",
"nsites": 4,
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"elements": [
"Au",
"S"
],
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"density": 5.803303509885898,
"density_atomic": 0.047684709480610425,
"volume": 83.88433197074382,
"volume_molar": 12.629081367159687,
"formula_full": "Au1 S3",
"formula_reduced": "AuS3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5590093925,
"spacegroup": 8
},
{
"id": "jvasp-109910",
"created_at": "2022-09-04T14:38:46.357661Z",
"updated_at": "2022-09-04T14:38:46.357672Z",
"structure_string": "Fe3 O3 F3\n1.0\n7.498012 0.129708 0.340213\n6.906530 2.921791 0.340213\n0.184979 0.039187 4.672142\nFe O F\n3 3 3\ndirect\n0.005669 0.005669 0.004558 Fe\n0.660553 0.660555 0.540454 Fe\n0.342271 0.342272 0.477912 Fe\n0.559802 0.559805 0.787883 O\n0.216927 0.216929 0.692184 O\n0.444824 0.444826 0.209788 O\n0.890439 0.890442 0.727864 F\n0.109250 0.109251 0.304390 F\n0.770253 0.770254 0.254960 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.618433928673285,
"density_atomic": 0.09184940877795984,
"volume": 97.98647721028813,
"volume_molar": 6.556537314854302,
"formula_full": "Fe3 O3 F3",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1224164275,
"spacegroup": 8
},
{
"id": "jvasp-113060",
"created_at": "2022-09-04T14:38:46.403517Z",
"updated_at": "2022-09-04T14:38:46.403541Z",
"structure_string": "Sn3 Sb1 Se2 I5\n1.0\n7.333296 0.007292 1.124252\n6.070802 4.113715 1.124252\n0.111523 0.034287 12.812195\nSn Sb Se I\n3 1 2 5\ndirect\n0.624431 0.624429 0.477093 Sn\n0.369694 0.369693 0.532041 Sn\n0.639597 0.639596 0.829573 Sn\n0.361574 0.361573 0.186507 Sb\n0.752871 0.752869 0.615928 Se\n0.245955 0.245954 0.381224 Se\n0.720156 0.720154 0.138917 I\n0.289042 0.289043 0.858403 I\n0.972780 0.972777 0.309479 I\n0.025637 0.025638 0.667520 I\n0.998269 0.998266 0.003312 I\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Sn",
"Sb",
"Se",
"I"
],
"chemical_system": "I-Sb-Se-Sn",
"density": 5.4737110175567745,
"density_atomic": 0.028543557174269645,
"volume": 385.37593379972486,
"volume_molar": 21.098073807803498,
"formula_full": "Sn3 Sb1 Se2 I5",
"formula_reduced": "Sn3SbSe2I5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 0.4059335734848486,
"spacegroup": 8
},
{
"id": "jvasp-117092",
"created_at": "2022-09-04T14:38:46.551828Z",
"updated_at": "2022-09-04T14:38:46.551857Z",
"structure_string": "Li4 Nb2 Fe3 Co3 O16\n1.0\n5.764494 0.026191 0.064086\n2.892945 4.986076 0.064086\n-0.076987 -0.044572 9.396277\nLi Nb Fe Co O\n4 2 3 3 16\ndirect\n0.668388 0.668389 0.101192 Li\n0.000298 0.000298 0.004780 Li\n-0.000023 -0.000023 0.503669 Li\n0.334450 0.334451 0.604737 Li\n0.667179 0.667181 0.505935 Nb\n0.331443 0.331444 0.004260 Nb\n0.830514 0.830517 0.783154 Fe\n0.175512 0.655757 0.283302 Fe\n0.655755 0.175513 0.283302 Fe\n0.167848 0.167849 0.285561 Co\n0.337484 0.831134 0.784729 Co\n0.831131 0.337487 0.784729 Co\n0.163103 0.163104 0.901478 O\n0.161862 0.673866 0.900057 O\n0.331703 0.331704 0.390971 O\n0.482901 0.036223 0.166482 O\n0.036222 0.482902 0.166482 O\n0.837267 0.837269 0.399887 O\n0.966297 0.516543 0.666371 O\n0.518159 0.518161 0.666112 O\n0.833338 0.327887 0.401179 O\n-0.001572 -0.001572 0.194073 O\n-0.001431 -0.001431 0.692157 O\n0.668279 0.668282 0.887799 O\n0.485420 0.485422 0.162088 O\n0.327886 0.833340 0.401179 O\n0.516541 0.966300 0.666371 O\n0.673864 0.161864 0.900057 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-Nb-O",
"density": 5.016939752521974,
"density_atomic": 0.10393835520869874,
"volume": 269.3904472875153,
"volume_molar": 5.793954260588491,
"formula_full": "Li4 Nb2 Fe3 Co3 O16",
"formula_reduced": "Li4Nb2Fe3Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.2549801428571423,
"spacegroup": 8
},
{
"id": "jvasp-115455",
"created_at": "2022-09-04T14:38:46.679767Z",
"updated_at": "2022-09-04T14:38:46.679791Z",
"structure_string": "Mg1 Au1 O3\n1.0\n2.766729 -2.961955 0.030223\n2.766729 2.961955 0.030223\n-0.713423 0.000000 4.238967\nMg Au O\n1 1 3\ndirect\n0.463714 0.463714 0.701845 Mg\n0.031915 0.031915 0.972175 Au\n0.526254 -0.008536 0.877397 O\n-0.008536 0.526254 0.877397 O\n0.100016 0.100016 0.457837 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Au",
"O"
],
"chemical_system": "Au-Mg-O",
"density": 6.4239755380466415,
"density_atomic": 0.07183518054394494,
"volume": 69.60377856837522,
"volume_molar": 8.383275039332537,
"formula_full": "Mg1 Au1 O3",
"formula_reduced": "MgAuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.291405424,
"spacegroup": 8
},
{
"id": "jvasp-114011",
"created_at": "2022-09-04T14:38:46.907290Z",
"updated_at": "2022-09-04T14:38:46.907313Z",
"structure_string": "B2 O1\n1.0\n4.501941 0.596131 0.367119\n0.954510 -2.151318 -0.133329\n-1.711508 -3.059223 -3.178257\nB O\n2 1\ndirect\n0.489521 0.645874 0.065685 B\n-0.008920 0.801096 0.662926 B\n0.067359 -0.009167 0.941770 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.194591636803251,
"density_atomic": 0.10538794211896838,
"volume": 28.466254674689594,
"volume_molar": 5.714259752032958,
"formula_full": "B2 O1",
"formula_reduced": "B2O",
"formula_anonymous": "AB2",
"energy_above_hull": 3.1872062222222226,
"spacegroup": 8
},
{
"id": "jvasp-120283",
"created_at": "2022-09-04T14:38:46.914558Z",
"updated_at": "2022-09-04T14:38:46.914579Z",
"structure_string": "Li3 F1\n1.0\n5.773581 -0.071723 -0.804196\n-2.372458 -4.080426 0.376523\n-1.593067 -1.393813 -2.157738\nLi F\n3 1\ndirect\n-0.030298 0.074994 0.709992 Li\n0.266765 0.721487 0.762143 Li\n0.624124 0.400182 0.854040 Li\n-0.003362 0.585285 0.149326 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"F"
],
"chemical_system": "F-Li",
"density": 1.1633140316469355,
"density_atomic": 0.0703706076242129,
"volume": 56.84191362053398,
"volume_molar": 8.557750122265421,
"formula_full": "Li3 F1",
"formula_reduced": "Li3F",
"formula_anonymous": "AB3",
"energy_above_hull": 0.836485,
"spacegroup": 8
},
{
"id": "jvasp-116929",
"created_at": "2022-09-04T14:38:47.523765Z",
"updated_at": "2022-09-04T14:38:47.523774Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.825360 -0.092931 0.044396\n-1.247546 4.728656 -0.997175\n-0.201987 -0.115739 12.457146\nLi Mn Co O\n6 2 2 10\ndirect\n0.298560 0.597071 0.097782 Li\n0.900963 0.801781 0.296908 Li\n0.500855 0.001894 0.510110 Li\n0.099757 0.200246 0.708624 Li\n0.707571 0.415063 0.885771 Li\n0.392372 0.784327 0.793992 Li\n0.001176 0.002967 0.990877 Mn\n0.200479 0.400649 0.401327 Mn\n0.799568 0.598593 0.604288 Co\n0.599620 0.199382 0.200979 Co\n0.747434 0.494814 0.738356 O\n0.636077 0.272072 0.057163 O\n0.238404 0.476217 0.253548 O\n0.837420 0.673797 0.448568 O\n0.430488 0.859674 0.644434 O\n0.054615 0.109624 0.865360 O\n0.967458 0.935767 0.150310 O\n0.561580 0.123552 0.349481 O\n0.159310 0.318724 0.543187 O\n0.366269 0.733795 0.958936 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.3294059425003235,
"density_atomic": 0.1214408748206375,
"volume": 164.68919570563918,
"volume_molar": 4.958907590952734,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.405321564137931,
"spacegroup": 8
},
{
"id": "jvasp-116912",
"created_at": "2022-09-04T14:38:47.038000Z",
"updated_at": "2022-09-04T14:38:47.038028Z",
"structure_string": "Ca9 Sn3 S15\n1.0\n8.483499 0.071715 3.428696\n3.663908 7.651841 3.428696\n0.449990 0.286112 11.338382\nCa Sn S\n9 3 15\ndirect\n0.269451 0.770960 0.644162 Ca\n0.301428 0.301428 0.703351 Ca\n0.692723 0.692723 0.383382 Ca\n0.984665 0.559818 0.001743 Ca\n0.522873 0.522873 -0.032058 Ca\n0.282062 0.708155 0.293439 Ca\n0.708155 0.282063 0.293439 Ca\n0.770960 0.269451 0.644162 Ca\n0.559818 0.984665 0.001743 Ca\n0.000539 0.000539 -0.014681 Sn\n0.221661 0.221661 0.380400 Sn\n0.793009 0.793009 0.622764 Sn\n0.369823 0.369823 0.902551 S\n0.830996 0.830997 0.135505 S\n0.625009 0.625009 0.673991 S\n0.295228 0.865229 0.011857 S\n0.865229 0.295228 0.011857 S\n0.629170 0.629170 0.123136 S\n0.485194 0.485194 0.497387 S\n-0.057354 -0.057354 0.820190 S\n0.389522 0.389522 0.241136 S\n0.927154 0.353100 0.355055 S\n0.353099 0.927154 0.355055 S\n0.033662 0.613254 0.724532 S\n0.883210 0.883210 0.383755 S\n0.165962 0.165962 0.616220 S\n0.613254 0.033662 0.724532 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
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"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 2.775530535856609,
"density_atomic": 0.03767678437029836,
"volume": 716.6216663990264,
"volume_molar": 15.98369091378037,
"formula_full": "Ca9 Sn3 S15",
"formula_reduced": "Ca3SnS5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.954610328888889,
"spacegroup": 8
},
{
"id": "jvasp-116894",
"created_at": "2022-09-04T14:38:47.125922Z",
"updated_at": "2022-09-04T14:38:47.125952Z",
"structure_string": "Li4 Nb3 Co3 Sn2 O16\n1.0\n5.858245 -0.060429 0.030493\n2.838717 5.124877 0.030493\n-0.029987 -0.017462 10.043654\nLi Nb Co Sn O\n4 3 3 2 16\ndirect\n0.337037 0.337038 0.093874 Li\n0.987732 0.987733 0.006308 Li\n0.978635 0.978636 0.512573 Li\n0.668940 0.668941 0.614684 Li\n0.178977 0.178978 0.785637 Nb\n0.839991 0.354283 0.286943 Nb\n0.354283 0.839992 0.286943 Nb\n0.166997 0.655162 0.785195 Co\n0.810074 0.810075 0.283713 Co\n0.655160 0.166997 0.785195 Co\n0.351500 0.351501 0.514940 Sn\n0.667385 0.667386 0.997201 Sn\n0.839677 0.839679 0.888791 O\n0.839226 0.313189 0.896091 O\n0.659413 0.659414 0.419642 O\n0.507772 0.973891 0.146014 O\n0.973890 0.507773 0.146014 O\n0.172669 0.172670 0.406448 O\n0.032659 0.487430 0.658176 O\n0.484834 0.484835 0.676629 O\n0.166957 0.680617 0.400228 O\n-0.000899 -0.000899 0.190690 O\n-0.004793 -0.004793 0.693634 O\n0.338713 0.338714 0.901364 O\n0.515288 0.515288 0.160750 O\n0.680616 0.166958 0.400228 O\n0.487428 0.032660 0.658176 O\n0.313188 0.839228 0.896091 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-Nb-O-Sn",
"density": 5.34787262253355,
"density_atomic": 0.09232766616394018,
"volume": 303.26771122192383,
"volume_molar": 6.5225744462194895,
"formula_full": "Li4 Nb3 Co3 Sn2 O16",
"formula_reduced": "Li4Nb3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.0682310821428573,
"spacegroup": 8
},
{
"id": "jvasp-110992",
"created_at": "2022-09-04T14:38:48.737041Z",
"updated_at": "2022-09-04T14:38:48.737069Z",
"structure_string": "Ta1 Mo1 S4\n1.0\n6.309651 -0.057474 0.950567\n5.487278 3.115249 0.950567\n0.000895 0.000232 5.685894\nTa Mo S\n1 1 4\ndirect\n0.750116 0.750118 0.085177 Ta\n0.250071 0.250071 0.582442 Mo\n0.378595 0.378596 0.210364 S\n0.876897 0.876899 0.703558 S\n0.622948 0.622950 0.788568 S\n0.121270 0.121270 0.296593 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"S"
],
"chemical_system": "Mo-S-Ta",
"density": 5.924668133633959,
"density_atomic": 0.05283875922444934,
"volume": 113.55300707408935,
"volume_molar": 11.397203205357364,
"formula_full": "Ta1 Mo1 S4",
"formula_reduced": "TaMoS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.5751525166666664,
"spacegroup": 8
}
]
}