HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=9",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=7",
"results": [
{
"id": "oqmd-66502",
"created_at": "2022-09-04T15:16:15.405398Z",
"updated_at": "2022-09-04T15:16:15.405431Z",
"structure_string": "Si4 O8\n1.0\n4.580290 0.033739 -0.280916\n-0.042585 5.228573 0.415374\n-0.895977 -1.943937 6.062754\nO Si\n8 4\ndirect\n0.738927 0.175081 0.021232 O\n0.847088 0.682169 0.125124 O\n0.255389 0.220385 0.330324 O\n0.802510 0.050368 0.396999 O\n0.420605 0.961446 0.639101 O\n0.668225 0.432728 0.699845 O\n0.213312 0.354966 0.907573 O\n0.199977 0.888931 0.987355 O\n0.980967 0.995142 0.188827 Si\n0.538491 0.167830 0.507320 Si\n0.374180 0.077167 0.885466 Si\n0.883384 0.439282 0.934084 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"O",
"Si"
],
"chemical_system": "O-Si",
"density": 2.704801906267232,
"density_atomic": 0.08132922150921268,
"volume": 147.54844294975433,
"volume_molar": 7.404645769685418,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"formation_energy": -2.84940977641917,
"spacegroup": 1
},
{
"id": "oqmd-66497",
"created_at": "2022-09-04T15:16:18.026877Z",
"updated_at": "2022-09-04T15:16:18.026904Z",
"structure_string": "Si4 O8\n1.0\n6.010069 -0.004902 -0.002241\n-0.010142 5.017081 0.003425\n-0.072095 -0.242499 5.300479\nO Si\n8 4\ndirect\n0.988009 0.911220 0.253327 O\n0.384136 0.210357 0.255400 O\n0.663225 0.604599 0.393992 O\n0.030359 0.358306 0.481909 O\n0.672907 0.099025 0.593554 O\n0.386134 0.477660 0.731122 O\n0.992733 0.786108 0.734476 O\n0.027277 0.341809 0.983596 O\n0.113847 0.197888 0.231513 Si\n0.530409 0.348178 0.493147 Si\n0.826093 0.849194 0.493303 Si\n0.116291 0.496979 0.745374 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"O",
"Si"
],
"chemical_system": "O-Si",
"density": 2.496972573686338,
"density_atomic": 0.07508011402876512,
"volume": 159.82927244093545,
"volume_molar": 8.020953135064184,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"formation_energy": -2.95045808891917,
"spacegroup": 1
},
{
"id": "oqmd-426180",
"created_at": "2022-09-04T15:16:16.871926Z",
"updated_at": "2022-09-04T15:16:16.871955Z",
"structure_string": "C4 N6\n1.0\n-3.299300 1.003247 1.651846\n2.046126 -5.327205 -0.431108\n-1.589956 2.572266 6.267332\nC N\n4 6\ndirect\n0.908126 0.492096 0.390288 C\n0.214334 0.730886 0.486677 C\n0.861328 0.779834 0.780701 C\n0.548839 0.930123 0.913123 C\n0.998158 0.780548 0.084334 N\n0.718659 0.856643 0.342216 N\n0.609728 0.280770 0.344837 N\n0.629985 0.326150 0.844278 N\n0.757358 0.213252 0.892936 N\n0.753485 0.609701 0.920605 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.4637803486615426,
"density_atomic": 0.11233263982866167,
"volume": 89.02132109823792,
"volume_molar": 5.360989262947466,
"formula_full": "C4 N6",
"formula_reduced": "C2N3",
"formula_anonymous": "A2B3",
"formation_energy": 0.819418193793896,
"spacegroup": 1
},
{
"id": "oqmd-66500",
"created_at": "2022-09-04T15:16:17.037095Z",
"updated_at": "2022-09-04T15:16:17.037105Z",
"structure_string": "Si4 O8\n1.0\n5.445235 0.045609 -0.056179\n3.117635 4.401314 0.051369\n0.731604 1.052006 5.592628\nO Si\n8 4\ndirect\n0.520575 0.423107 0.056104 O\n0.578680 0.897052 0.115843 O\n0.966494 0.306819 0.322569 O\n0.939654 0.826928 0.424993 O\n0.444044 0.753272 0.538202 O\n0.464881 0.168146 0.677082 O\n0.964245 0.028108 0.801803 O\n0.892442 0.545337 0.831198 O\n0.737672 0.534544 0.091918 Si\n0.075076 0.987655 0.524121 Si\n0.682805 0.819799 0.600561 Si\n0.626053 0.142713 0.916764 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"O",
"Si"
],
"chemical_system": "O-Si",
"density": 3.001961537815453,
"density_atomic": 0.09026435329900577,
"volume": 132.94284577932245,
"volume_molar": 6.671671085983765,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"formation_energy": -2.82484817558584,
"spacegroup": 1
},
{
"id": "oqmd-15996",
"created_at": "2022-09-04T15:16:20.941878Z",
"updated_at": "2022-09-04T15:16:20.941894Z",
"structure_string": "Sr1 Ca1 B5 H2 Cl1 O10\n1.0\n6.579926 -0.030561 0.003137\n1.401266 6.276865 0.026283\n3.057041 2.476601 4.999179\nB Ca Cl H O Sr\n5 1 1 2 10 1\ndirect\n0.162080 0.499761 0.002800 B\n0.224857 0.272086 0.406079 B\n0.827460 0.393925 0.440278 B\n0.376296 0.358195 0.648862 B\n0.266852 0.943299 0.788809 B\n0.257151 0.836848 0.302239 Ca\n0.792123 0.875961 0.543692 Cl\n0.732661 0.831042 0.226795 H\n0.758929 0.892956 0.941232 H\n0.669887 0.927941 0.095528 O\n0.277052 0.301620 0.145251 O\n0.901967 0.470461 0.171471 O\n0.388118 0.411091 0.390544 O\n0.984043 0.334460 0.546152 O\n0.252175 0.012164 0.557091 O\n0.603528 0.397886 0.616179 O\n0.208091 0.516901 0.748923 O\n0.303034 0.105551 0.848962 O\n0.230342 0.715497 0.987502 O\n0.713253 0.378023 0.966692 Sr\n",
"nsites": 20,
"nelements": 6,
"elements": [
"B",
"Ca",
"Cl",
"H",
"O",
"Sr"
],
"chemical_system": "B-Ca-Cl-H-O-Sr",
"density": 3.0537463141148256,
"density_atomic": 0.09699008467306734,
"volume": 206.2066454258256,
"volume_molar": 6.209027222008659,
"formula_full": "Sr1 Ca1 B5 H2 Cl1 O10",
"formula_reduced": "SrCaB5H2ClO10",
"formula_anonymous": "ABCD2E5F10",
"formation_energy": -2.62983649593875,
"spacegroup": 1
},
{
"id": "oqmd-3826",
"created_at": "2022-09-04T15:16:21.090273Z",
"updated_at": "2022-09-04T15:16:21.090293Z",
"structure_string": "K4 I4 O12\n1.0\n7.598046 -0.002943 -0.001078\n-2.509806 7.167838 0.000504\n-2.503061 -3.501637 6.253458\nI K O\n4 4 12\ndirect\n0.005834 0.005607 0.004863 I\n0.499259 0.497284 0.020782 I\n0.994058 0.511742 0.511790 I\n0.498761 0.001897 0.511854 I\n0.004057 0.512743 0.017650 K\n0.518306 0.005802 0.019592 K\n0.004591 0.023923 0.513144 K\n0.497074 0.505337 0.533500 K\n0.337662 0.335686 0.101674 O\n0.535375 0.838340 0.302056 O\n0.992373 0.296923 0.306909 O\n0.838787 0.586886 0.337116 O\n0.281038 0.027393 0.343458 O\n0.782695 0.344829 0.546101 O\n0.340535 0.790788 0.551939 O\n0.844477 0.054812 0.804709 O\n0.282448 0.488612 0.809342 O\n0.079202 0.837517 0.840747 O\n0.536098 0.293100 0.848687 O\n0.786474 0.793283 0.991990 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"I",
"K",
"O"
],
"chemical_system": "I-K-O",
"density": 4.1743902007344795,
"density_atomic": 0.058735166912269404,
"volume": 340.51150360861794,
"volume_molar": 10.253041025651726,
"formula_full": "K4 I4 O12",
"formula_reduced": "KIO3",
"formula_anonymous": "ABC3",
"formation_energy": -1.23328796351292,
"spacegroup": 1
},
{
"id": "oqmd-426964",
"created_at": "2022-09-04T15:16:21.108681Z",
"updated_at": "2022-09-04T15:16:21.108708Z",
"structure_string": "H6 F4\n1.0\n-4.668778 0.035787 -0.008393\n2.336236 -3.537011 -0.255493\n-2.303021 1.407736 4.243037\nF H\n4 6\ndirect\n0.774732 0.426200 0.093674 F\n0.762856 0.088318 0.358719 F\n0.026868 0.909950 0.633132 F\n0.445741 0.560393 0.903355 F\n0.769398 0.292726 0.211312 H\n0.753551 0.804459 0.255248 H\n0.273208 0.418232 0.436015 H\n0.300831 0.608100 0.582632 H\n0.203476 0.190752 0.742106 H\n0.689348 0.700865 0.783797 H\n",
"nsites": 10,
"nelements": 2,
"elements": [
"F",
"H"
],
"chemical_system": "F-H",
"density": 2.0006170418331837,
"density_atomic": 0.14685291881522525,
"volume": 68.09534383570748,
"volume_molar": 4.100797456792288,
"formula_full": "H6 F4",
"formula_reduced": "H3F2",
"formula_anonymous": "A2B3",
"formation_energy": -1.29616971996295,
"spacegroup": 1
},
{
"id": "oqmd-66499",
"created_at": "2022-09-04T15:16:21.403329Z",
"updated_at": "2022-09-04T15:16:21.403362Z",
"structure_string": "Si4 O8\n1.0\n5.411873 -0.141187 0.188390\n-0.496194 5.122395 -0.193417\n-2.201306 -0.162986 5.788648\nO Si\n8 4\ndirect\n0.581223 0.778426 0.034031 O\n0.941704 0.177223 0.112881 O\n0.471053 0.243345 0.160019 O\n0.220208 0.627139 0.206353 O\n0.808875 0.034196 0.467859 O\n0.307744 0.221687 0.516670 O\n0.111367 0.435128 0.781062 O\n0.136482 0.927127 0.825968 O\n0.699738 0.053446 0.192882 Si\n0.240035 0.315525 0.257578 Si\n0.093015 0.152845 0.651479 Si\n0.261077 0.686533 0.956837 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"O",
"Si"
],
"chemical_system": "O-Si",
"density": 2.4638986828224407,
"density_atomic": 0.07408563314274948,
"volume": 161.97472426102092,
"volume_molar": 8.128621575517124,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"formation_energy": -2.92502155808584,
"spacegroup": 1
},
{
"id": "oqmd-31833",
"created_at": "2022-09-04T15:16:49.502584Z",
"updated_at": "2022-09-04T15:16:49.502614Z",
"structure_string": "Li39 Fe8 O32\n1.0\n9.092352 -0.003288 0.007308\n-0.003285 9.072639 0.008887\n0.007382 0.008981 9.083271\nFe Li O\n8 39 32\ndirect\n0.116296 0.130143 0.118283 Fe\n0.384024 0.646580 0.122310 Fe\n0.886999 0.646578 0.381046 Fe\n0.612197 0.146469 0.381227 Fe\n0.113888 0.354545 0.618335 Fe\n0.385860 0.854678 0.620495 Fe\n0.885360 0.854516 0.877873 Fe\n0.614565 0.354146 0.880833 Fe\n0.658759 0.117798 0.104340 Li\n0.840781 0.613768 0.105424 Li\n0.349971 0.370459 0.106955 Li\n0.624050 0.852738 0.124781 Li\n0.883682 0.350376 0.125945 Li\n0.393084 0.108005 0.140768 Li\n0.107474 0.628302 0.142591 Li\n0.894585 0.883675 0.156018 Li\n0.618671 0.388350 0.160444 Li\n0.119186 0.390259 0.334494 Li\n0.381593 0.889412 0.338583 Li\n0.610070 0.609215 0.357406 Li\n0.886395 0.112373 0.359307 Li\n0.122133 0.853759 0.366577 Li\n0.378382 0.350490 0.375864 Li\n0.648590 0.872322 0.391945 Li\n0.852125 0.373490 0.392405 Li\n0.152223 0.118065 0.398731 Li\n0.347793 0.616283 0.400714 Li\n0.843935 0.882478 0.599621 Li\n0.656283 0.382347 0.602821 Li\n0.148415 0.628866 0.605827 Li\n0.351828 0.128944 0.606973 Li\n0.878182 0.148068 0.623437 Li\n0.620578 0.647042 0.623778 Li\n0.108856 0.890802 0.639049 Li\n0.390890 0.392344 0.642496 Li\n0.881994 0.610586 0.661029 Li\n0.618131 0.110873 0.661214 Li\n0.119548 0.112213 0.836492 Li\n0.381310 0.611482 0.841006 Li\n0.891789 0.390229 0.858397 Li\n0.605958 0.891708 0.859103 Li\n0.382989 0.150145 0.872930 Li\n0.118274 0.646528 0.875951 Li\n0.852566 0.128271 0.892284 Li\n0.649324 0.628789 0.893943 Li\n0.156245 0.380987 0.899542 Li\n0.332411 0.877397 0.906422 Li\n0.255695 0.533434 0.002687 O\n0.982713 0.738741 0.008978 O\n0.504765 0.248435 0.018495 O\n0.245085 0.240399 0.241257 O\n0.467114 0.502309 0.247740 O\n0.258212 0.740874 0.250389 O\n0.967978 0.505883 0.251283 O\n0.534346 0.003593 0.251774 O\n0.026862 0.009719 0.254996 O\n0.754441 0.747065 0.256992 O\n0.745844 0.248450 0.258301 O\n0.001229 0.249486 0.482743 O\n0.498307 0.748335 0.484307 O\n0.243132 0.467686 0.499630 O\n0.757650 0.531676 0.499632 O\n0.740748 0.032472 0.500198 O\n0.257886 0.969418 0.500719 O\n0.997775 0.753180 0.517062 O\n0.502715 0.253392 0.518753 O\n0.247553 0.255281 0.742212 O\n0.251799 0.753014 0.743296 O\n0.032769 0.495164 0.747744 O\n0.466243 0.997186 0.748130 O\n0.965922 0.996734 0.750516 O\n0.533368 0.497342 0.753329 O\n0.752494 0.754825 0.755075 O\n0.747502 0.253447 0.757070 O\n0.496811 0.751415 0.984607 O\n0.005610 0.244838 0.985425 O\n0.247860 0.043375 0.994725 O\n0.759232 0.969039 0.997925 O\n0.743860 0.466011 0.999112 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Fe",
"Li",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 2.7246140025088548,
"density_atomic": 0.10543279260930061,
"volume": 749.2924928276169,
"volume_molar": 5.711828939517973,
"formula_full": "Li39 Fe8 O32",
"formula_reduced": "Li39(FeO4)8",
"formula_anonymous": "A8B32C39",
"formation_energy": -1.97017580538524,
"spacegroup": 1
},
{
"id": "oqmd-23498",
"created_at": "2022-09-04T15:16:23.718147Z",
"updated_at": "2022-09-04T15:16:23.718168Z",
"structure_string": "Li6 Cu1 B4 O10\n1.0\n4.729267 -0.123339 0.005747\n1.652957 5.994967 0.083829\n2.181806 0.217880 6.744425\nB Cu Li O\n4 1 6 10\ndirect\n0.131172 0.537697 0.059034 B\n0.392483 0.114453 0.616828 B\n0.283892 0.607120 0.677427 B\n0.216061 0.017837 0.990761 B\n0.754823 0.333029 0.841527 Cu\n0.518290 0.150327 0.220852 Li\n0.452857 0.632135 0.277618 Li\n0.943282 0.835413 0.343571 Li\n0.870329 0.364965 0.434233 Li\n0.896661 0.972662 0.637249 Li\n0.733968 0.832264 0.999321 Li\n0.912209 0.085478 0.007049 O\n0.409862 0.430887 0.078442 O\n0.319449 0.929871 0.148215 O\n0.883879 0.596262 0.217956 O\n0.645227 0.092807 0.458024 O\n0.170658 0.713141 0.530482 O\n0.106432 0.210711 0.606616 O\n0.579249 0.507965 0.651966 O\n0.443991 0.024614 0.803799 O\n0.075429 0.608962 0.873531 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"B",
"Cu",
"Li",
"O"
],
"chemical_system": "B-Cu-Li-O",
"density": 2.6618223050552157,
"density_atomic": 0.1091421848388564,
"volume": 192.40956217804847,
"volume_molar": 5.517702223838953,
"formula_full": "Li6 Cu1 B4 O10",
"formula_reduced": "Li6Cu(B2O5)2",
"formula_anonymous": "AB4C6D10",
"formation_energy": -2.32756029954641,
"spacegroup": 1
},
{
"id": "oqmd-16804",
"created_at": "2022-09-04T15:16:23.843949Z",
"updated_at": "2022-09-04T15:16:23.843970Z",
"structure_string": "Li2 Al2 Si4 O12\n1.0\n8.535075 -0.011604 -0.027699\n-0.021025 4.876802 0.020570\n-3.079356 0.057948 6.765211\nAl Li O Si\n2 2 12 4\ndirect\n0.897131 0.342859 0.912786 Al\n0.378450 0.885745 0.933207 Al\n0.307819 0.362532 0.158372 Li\n0.701069 0.871340 0.867731 Li\n0.263870 0.725068 0.053828 O\n0.454704 0.195868 0.057579 O\n0.090845 0.174247 0.068955 O\n0.727657 0.451514 0.306111 O\n0.159201 0.745003 0.327818 O\n0.938960 0.028994 0.418228 O\n0.044576 0.527760 0.577148 O\n0.822941 0.242748 0.668804 O\n0.260308 0.951976 0.684982 O\n0.923207 0.698187 0.953803 O\n0.552384 0.676503 0.955352 O\n0.729921 0.227857 0.974443 O\n0.617555 0.384836 0.072067 Si\n0.105748 0.841806 0.098961 Si\n0.884271 0.309515 0.495600 Si\n0.101185 0.815242 0.506125 Si\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Al",
"Li",
"O",
"Si"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.198048437352514,
"density_atomic": 0.07113204072823147,
"volume": 281.1672460855216,
"volume_molar": 8.46614366514285,
"formula_full": "Li2 Al2 Si4 O12",
"formula_reduced": "LiAl(SiO3)2",
"formula_anonymous": "ABC2D6",
"formation_energy": -3.03085127302725,
"spacegroup": 1
},
{
"id": "oqmd-31835",
"created_at": "2022-09-04T15:16:47.020504Z",
"updated_at": "2022-09-04T15:16:47.020518Z",
"structure_string": "Li39 Fe8 O32\n1.0\n9.078997 0.001619 -0.010549\n0.001594 9.113033 0.005552\n-0.010580 0.005553 9.084037\nFe Li O\n8 39 32\ndirect\n0.128072 0.141520 0.117170 Fe\n0.386772 0.642885 0.119967 Fe\n0.611524 0.142787 0.379417 Fe\n0.886895 0.646150 0.381547 Fe\n0.386964 0.854882 0.617620 Fe\n0.113831 0.354656 0.620004 Fe\n0.617530 0.357267 0.877508 Fe\n0.885640 0.855537 0.881253 Fe\n0.633307 0.114076 0.099769 Li\n0.844690 0.617776 0.103946 Li\n0.146822 0.866532 0.106252 Li\n0.353777 0.363436 0.108996 Li\n0.621189 0.851296 0.124620 Li\n0.882713 0.349719 0.125713 Li\n0.109355 0.605991 0.142447 Li\n0.618625 0.388135 0.158295 Li\n0.881478 0.891547 0.160639 Li\n0.376993 0.900593 0.329435 Li\n0.113646 0.394256 0.342998 Li\n0.891303 0.111199 0.354574 Li\n0.609184 0.608452 0.357485 Li\n0.377755 0.352823 0.376130 Li\n0.122960 0.852891 0.376895 Li\n0.849139 0.371974 0.392616 Li\n0.648078 0.869209 0.393955 Li\n0.344732 0.619529 0.398018 Li\n0.155516 0.121575 0.398589 Li\n0.656405 0.382563 0.601013 Li\n0.843928 0.882108 0.603494 Li\n0.147933 0.628862 0.608363 Li\n0.353143 0.128060 0.612703 Li\n0.879444 0.147435 0.623516 Li\n0.620714 0.647844 0.623589 Li\n0.391236 0.390955 0.643306 Li\n0.109473 0.891615 0.643411 Li\n0.881296 0.611025 0.662380 Li\n0.618870 0.111323 0.663450 Li\n0.115774 0.112570 0.833743 Li\n0.381989 0.610257 0.838549 Li\n0.894636 0.391486 0.858104 Li\n0.608403 0.889743 0.858149 Li\n0.120541 0.647203 0.876367 Li\n0.379675 0.143365 0.888211 Li\n0.648971 0.629394 0.892329 Li\n0.343776 0.878437 0.896154 Li\n0.851986 0.129020 0.896302 Li\n0.160339 0.382420 0.896927 Li\n0.258084 0.530528 0.001020 O\n0.505454 0.257291 0.010607 O\n0.995501 0.746540 0.017800 O\n0.253376 0.745461 0.242886 O\n0.231888 0.256531 0.244710 O\n0.039981 0.005422 0.245380 O\n0.467732 0.500951 0.248783 O\n0.964508 0.503674 0.252779 O\n0.542085 0.999487 0.256515 O\n0.743480 0.245648 0.256864 O\n0.754780 0.747005 0.257149 O\n0.497775 0.747258 0.482720 O\n0.000922 0.249377 0.483398 O\n0.741895 0.031688 0.499064 O\n0.757994 0.532048 0.499620 O\n0.257661 0.971529 0.501060 O\n0.242552 0.469602 0.502323 O\n0.504261 0.250946 0.517414 O\n0.997682 0.753521 0.517920 O\n0.254000 0.752787 0.741639 O\n0.247726 0.254089 0.743922 O\n0.033972 0.497033 0.748367 O\n0.466608 0.996123 0.749552 O\n0.534642 0.498080 0.750077 O\n0.964638 0.997051 0.750973 O\n0.750665 0.254945 0.756175 O\n0.753287 0.753976 0.756962 O\n0.497741 0.750204 0.982920 O\n0.011756 0.250080 0.985853 O\n0.227711 0.022612 0.989847 O\n0.746891 0.468305 0.997526 O\n0.755864 0.969861 0.999114 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Fe",
"Li",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 2.7162980307080224,
"density_atomic": 0.10511099431808778,
"volume": 751.5864587954476,
"volume_molar": 5.729315757184968,
"formula_full": "Li39 Fe8 O32",
"formula_reduced": "Li39(FeO4)8",
"formula_anonymous": "A8B32C39",
"formation_energy": -1.97117021082828,
"spacegroup": 1
}
]
}