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=id&page=1118",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1116",
"results": [
{
"id": "jvasp-119274",
"created_at": "2022-09-04T14:38:48.677267Z",
"updated_at": "2022-09-04T14:38:48.677302Z",
"structure_string": "Li8 V4 O8 F4\n1.0\n2.885564 -0.000048 -0.000004\n0.000150 8.915062 4.068829\n0.000013 -0.008249 8.119698\nLi V O F\n8 4 8 4\ndirect\n-0.000002 0.333577 0.833243 Li\n-0.000001 0.333586 0.333226 Li\n0.499997 0.499747 0.000102 Li\n0.499997 0.499734 0.500123 Li\n0.999996 0.645448 0.677268 Li\n0.999997 0.645439 0.177279 Li\n0.500000 0.187875 0.156082 Li\n0.499999 0.187878 0.656073 Li\n0.000001 0.014262 0.992894 V\n0.499999 0.819075 0.840444 V\n0.000001 0.014262 0.492892 V\n0.499999 0.819073 0.340445 V\n0.500001 0.162953 0.918544 O\n0.500000 0.162954 0.418540 O\n-0.000001 0.670384 0.914791 O\n-0.000001 0.670381 0.414792 O\n0.499999 0.844333 0.577825 O\n0.500001 0.844331 0.077827 O\n0.000001 0.989007 0.755512 O\n0.000001 0.989002 0.255517 O\n0.999998 0.338253 0.080861 F\n0.499996 0.495094 0.752435 F\n0.499997 0.495090 0.252435 F\n-0.000000 0.338254 0.580862 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.681281336353893,
"density_atomic": 0.11484575959134005,
"volume": 208.97593507500926,
"volume_molar": 5.243677068643028,
"formula_full": "Li8 V4 O8 F4",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.4809819137500004,
"spacegroup": 59
},
{
"id": "jvasp-119275",
"created_at": "2022-09-04T14:38:50.501475Z",
"updated_at": "2022-09-04T14:38:50.501501Z",
"structure_string": "Li8 Cr4 O12\n1.0\n2.824267 -0.005050 0.540134\n1.319998 9.478141 0.836691\n0.017203 0.016607 7.566880\nLi Cr O\n8 4 12\ndirect\n0.333299 0.000001 0.333327 Li\n0.333353 0.500001 0.833335 Li\n0.333328 0.249995 0.083323 Li\n0.333268 0.750000 0.583347 Li\n0.993583 0.756211 0.257046 Li\n0.993494 0.256219 0.757028 Li\n0.673272 0.243788 0.409618 Li\n0.673327 0.743784 0.909640 Li\n-0.009804 0.002807 0.016663 Cr\n0.676341 0.997194 0.649999 Cr\n-0.009721 0.502811 0.516668 Cr\n0.676474 0.497190 0.149997 Cr\n0.843109 0.118393 0.195262 O\n0.502893 0.885291 0.108728 O\n0.502958 0.385295 0.608726 O\n0.163787 0.614705 0.057941 O\n0.163656 0.114709 0.557936 O\n0.159903 0.393122 0.287094 O\n0.159798 0.893125 0.787095 O\n0.506829 0.606878 0.379572 O\n0.506734 0.106876 0.879569 O\n0.823435 0.881606 0.471403 O\n0.823528 0.381607 0.971400 O\n0.843164 0.618395 0.695267 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.73539286257681,
"density_atomic": 0.11852366973695509,
"volume": 202.49119904289395,
"volume_molar": 5.080960430406186,
"formula_full": "Li8 Cr4 O12",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.103882983333334,
"spacegroup": 12
},
{
"id": "jvasp-119277",
"created_at": "2022-09-04T14:38:48.685386Z",
"updated_at": "2022-09-04T14:38:48.685402Z",
"structure_string": "Li8 Fe4 O12\n1.0\n4.896672 -0.069112 0.865263\n-2.404183 8.129993 0.171452\n-0.039525 -0.121182 4.892809\nLi Fe O\n8 4 12\ndirect\n0.000001 0.500001 0.000003 Li\n0.999999 -0.000001 0.499997 Li\n0.500001 0.750001 0.750000 Li\n0.500000 0.249999 0.250000 Li\n0.000069 0.169504 0.008435 Li\n0.000075 0.669505 0.508437 Li\n-0.000071 0.830497 0.991562 Li\n-0.000070 0.330494 0.491564 Li\n0.500010 0.583416 0.250276 Fe\n0.499991 0.916583 0.249722 Fe\n0.500010 0.083419 0.750276 Fe\n0.499992 0.416582 0.749724 Fe\n0.723566 0.466611 0.390884 O\n0.727894 0.609791 0.890354 O\n0.727892 0.109790 0.390354 O\n0.272109 0.390210 0.109645 O\n0.272107 0.890209 0.609645 O\n0.723617 0.287952 0.854780 O\n0.723618 0.787952 0.354781 O\n0.276436 0.533390 0.609116 O\n0.276434 0.033389 0.109116 O\n0.276383 0.712048 0.145218 O\n0.276384 0.212049 0.645219 O\n0.723566 0.966610 0.890883 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.01820445790464,
"density_atomic": 0.12332886853277099,
"volume": 194.6016393852078,
"volume_molar": 4.8829936021020055,
"formula_full": "Li8 Fe4 O12",
"formula_reduced": "Li2FeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.902226,
"spacegroup": 12
},
{
"id": "jvasp-119279",
"created_at": "2022-09-04T14:38:50.519522Z",
"updated_at": "2022-09-04T14:38:50.519553Z",
"structure_string": "Li4 Fe6 Te2 O16\n1.0\n5.866439 -0.093361 -0.014109\n2.806306 4.996156 -1.610272\n-0.055061 0.105373 10.127893\nLi Fe Te O\n4 6 2 16\ndirect\n0.292636 0.404785 0.570654 Li\n0.795741 0.396512 0.071112 Li\n0.207293 0.595270 0.929347 Li\n0.704338 0.603423 0.428886 Li\n0.250054 0.999963 0.250000 Fe\n0.749951 0.000039 0.749997 Fe\n0.495778 -0.003839 0.002135 Fe\n0.750051 0.999957 0.249998 Fe\n0.249945 0.000061 0.750008 Fe\n0.004238 0.003818 0.497867 Fe\n0.749945 0.500036 0.749990 Te\n0.250048 0.499969 0.250006 Te\n0.095749 0.263577 0.635759 O\n0.356161 0.758671 0.366449 O\n0.857741 0.756153 0.865298 O\n0.896406 0.749754 0.359136 O\n0.404150 0.736495 0.864230 O\n0.603694 0.250174 0.140872 O\n0.143923 0.241275 0.133564 O\n0.595824 0.805390 0.145925 O\n0.352425 0.252249 0.365372 O\n0.868818 0.244246 0.862483 O\n0.904278 0.194531 0.354068 O\n0.424579 0.188334 0.859388 O\n0.631079 0.755836 0.637505 O\n0.075325 0.811745 0.640621 O\n0.642162 0.243911 0.634691 O\n0.147677 0.747674 0.134635 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-Li-O-Te",
"density": 4.830150444102335,
"density_atomic": 0.09318500542313939,
"volume": 300.47752718214826,
"volume_molar": 6.462564156812939,
"formula_full": "Li4 Fe6 Te2 O16",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.706953733333333,
"spacegroup": 2
},
{
"id": "jvasp-119280",
"created_at": "2022-09-04T14:38:49.284315Z",
"updated_at": "2022-09-04T14:38:49.284343Z",
"structure_string": "Li4 Ti4 Co4 O16\n1.0\n5.757545 -0.038602 0.008178\n-0.061819 8.284699 -0.059830\n0.198215 -0.038605 5.754127\nLi Ti Co O\n4 4 4 16\ndirect\n0.501841 0.375000 0.248160 Li\n0.001852 0.875000 0.748148 Li\n0.498130 0.624997 0.751847 Li\n-0.001846 0.125003 0.251871 Li\n0.511387 0.011380 0.011365 Ti\n0.011369 0.511379 0.511367 Ti\n0.238631 0.238623 0.738630 Ti\n0.738634 0.738622 0.238613 Ti\n0.000063 0.499931 0.000074 Co\n0.749927 0.250070 0.749938 Co\n0.500071 -0.000069 0.500063 Co\n0.249938 0.750069 0.249929 Co\n0.727842 0.016113 0.738600 O\n0.227840 0.516112 0.238606 O\n0.271542 0.983263 0.260766 O\n0.771532 0.483265 0.760777 O\n0.489234 0.766737 0.478460 O\n-0.010777 0.266736 0.978470 O\n-0.007238 0.740530 0.479336 O\n0.002808 0.263903 0.516239 O\n0.270664 0.009471 0.757238 O\n0.770652 0.509469 0.257250 O\n0.733779 0.986097 0.247182 O\n0.233760 0.486098 0.747192 O\n0.011401 0.733887 0.022159 O\n0.502818 0.763904 0.016221 O\n0.492749 0.240533 0.979349 O\n0.511394 0.233888 0.522162 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.301907523415384,
"density_atomic": 0.10202997525680459,
"volume": 274.4291560350312,
"volume_molar": 5.9023250224677195,
"formula_full": "Li4 Ti4 Co4 O16",
"formula_reduced": "LiTiCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.508386176190476,
"spacegroup": 24
},
{
"id": "jvasp-119283",
"created_at": "2022-09-04T14:38:50.277524Z",
"updated_at": "2022-09-04T14:38:50.277547Z",
"structure_string": "Ca2 Cu4 O8\n1.0\n5.110009 0.044981 -3.582303\n-1.358087 4.926441 -3.582303\n-0.033947 -0.044981 6.240508\nCa Cu O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.875000 0.625000 0.250000 Cu\n0.374999 0.625000 0.750000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.250000 Cu\n0.021664 0.943329 0.365515 O\n0.056670 0.422186 0.078335 O\n0.343850 0.978335 0.921665 O\n0.172185 0.593851 0.865516 O\n0.406149 0.271665 0.578335 O\n0.693329 0.827814 0.421665 O\n0.577813 0.656149 0.634485 O\n0.728335 0.306671 0.134485 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.926216542605069,
"density_atomic": 0.08983291175252164,
"volume": 155.84488721203022,
"volume_molar": 6.703713196551215,
"formula_full": "Ca2 Cu4 O8",
"formula_reduced": "Ca(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1455850457142855,
"spacegroup": 88
},
{
"id": "jvasp-119286",
"created_at": "2022-09-04T14:38:48.757877Z",
"updated_at": "2022-09-04T14:38:48.757902Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.062834 -0.203134 0.018902\n-2.219633 7.106019 -1.428142\n-0.020669 0.006434 5.640185\nLi Mn Co O\n7 4 1 12\ndirect\n0.333333 0.333333 0.833334 Li\n0.493468 0.010848 0.752821 Li\n0.173198 0.655818 0.913847 Li\n0.830789 0.332269 0.586740 Li\n0.835877 0.334399 0.079928 Li\n0.179516 0.664881 0.416510 Li\n0.487150 0.001786 0.250159 Li\n0.001214 0.009239 0.502121 Mn\n0.665451 0.657427 0.164547 Mn\n0.001054 0.008615 0.002275 Mn\n0.665611 0.658052 0.664393 Mn\n0.333333 0.333333 0.333334 Co\n0.062430 0.844739 0.711780 O\n0.604236 0.821927 0.954889 O\n0.377374 0.159136 0.531014 O\n0.289292 0.507530 0.135654 O\n0.768779 0.517702 0.379704 O\n0.897887 0.148965 0.286964 O\n0.057086 0.840605 0.209410 O\n0.609581 0.826062 0.457258 O\n0.376278 0.158777 0.048433 O\n0.290388 0.507890 0.618236 O\n0.756439 0.514019 0.878239 O\n0.910225 0.152648 0.788430 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.302381345715432,
"density_atomic": 0.11975174453499757,
"volume": 200.41461686586098,
"volume_molar": 5.028854304698687,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.785541327729885,
"spacegroup": 2
},
{
"id": "jvasp-119288",
"created_at": "2022-09-04T14:38:50.310579Z",
"updated_at": "2022-09-04T14:38:50.310606Z",
"structure_string": "Li2 Ga2 W4 O16\n1.0\n5.700089 -0.000000 0.000000\n0.000000 4.934866 0.060166\n-0.000000 -0.059608 9.320844\nLi Ga W O\n2 2 4 16\ndirect\n0.341075 0.250000 0.500000 Li\n0.658925 0.750000 0.500000 Li\n0.331656 0.250000 0.000000 Ga\n0.668344 0.750001 0.000000 Ga\n0.181913 0.755090 0.748375 W\n0.181913 0.744911 0.251626 W\n0.818088 0.255090 0.748374 W\n0.818088 0.244910 0.251625 W\n0.380125 0.899963 0.626309 O\n0.380125 0.600038 0.373691 O\n0.898478 0.563117 0.350603 O\n0.619875 0.100038 0.373691 O\n0.617912 0.089845 0.885543 O\n0.617912 0.410154 0.114456 O\n0.382089 0.910155 0.114457 O\n0.882463 0.926088 0.131038 O\n0.101522 0.436884 0.649397 O\n0.882463 0.573912 0.868963 O\n0.898478 0.936884 0.649397 O\n0.117537 0.426088 0.131037 O\n0.117537 0.073912 0.868962 O\n0.382089 0.589846 0.885543 O\n0.619875 0.399962 0.626309 O\n0.101522 0.063116 0.350603 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ga",
"W",
"O"
],
"chemical_system": "Ga-Li-O-W",
"density": 7.249139951145015,
"density_atomic": 0.09153035372692521,
"volume": 262.20809843696685,
"volume_molar": 6.579391988330626,
"formula_full": "Li2 Ga2 W4 O16",
"formula_reduced": "LiGa(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.4064266937500003,
"spacegroup": 13
},
{
"id": "jvasp-119289",
"created_at": "2022-09-04T14:38:50.110357Z",
"updated_at": "2022-09-04T14:38:50.110391Z",
"structure_string": "Na3 Mn3 Cr3 F18\n1.0\n9.044779 0.000000 0.000000\n-4.522390 7.833009 0.000000\n-0.000000 -0.000000 4.929299\nNa Mn Cr F\n3 3 3 18\ndirect\n0.367690 -0.000000 -0.000000 Na\n0.000000 0.367690 -0.000000 Na\n0.632310 0.632310 -0.000000 Na\n0.699712 -0.000000 0.500000 Mn\n0.300288 0.300288 0.500000 Mn\n0.000000 0.699712 0.500000 Mn\n0.666667 0.333333 0.502496 Cr\n0.000000 0.000000 0.000000 Cr\n0.333333 0.666667 0.497504 Cr\n0.901110 0.103292 0.774813 F\n0.538940 0.408862 0.717364 F\n0.103292 0.901110 0.225187 F\n0.098890 0.202182 0.225187 F\n0.797818 0.896708 0.225187 F\n0.202182 0.098890 0.774813 F\n0.896708 0.797818 0.774813 F\n0.130078 0.591139 0.282636 F\n0.226008 0.458954 0.710951 F\n0.408862 0.538940 0.282636 F\n0.232947 0.773993 0.710951 F\n0.591139 0.130078 0.717364 F\n0.541046 0.767053 0.710951 F\n0.458954 0.226008 0.289049 F\n0.767053 0.541046 0.289049 F\n0.773993 0.232947 0.289049 F\n0.461060 0.869923 0.282636 F\n0.869923 0.461060 0.717364 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Na",
"Mn",
"Cr",
"F"
],
"chemical_system": "Cr-F-Mn-Na",
"density": 3.4793324434202093,
"density_atomic": 0.0773129093730082,
"volume": 349.2301637458019,
"volume_molar": 7.789308161907658,
"formula_full": "Na3 Mn3 Cr3 F18",
"formula_reduced": "NaMnCrF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.672101704042146,
"spacegroup": 150
},
{
"id": "jvasp-119290",
"created_at": "2022-09-04T14:38:48.790093Z",
"updated_at": "2022-09-04T14:38:48.790132Z",
"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.871816 -0.000000 0.000000\n0.000000 3.871816 0.000000\n-0.000000 -0.000000 15.805256\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n-0.000000 0.500000 0.184118 Sr\n0.500000 0.000000 0.815882 Sr\n-0.000000 0.500000 0.413685 Sr\n0.500000 0.000000 0.586316 Sr\n0.500000 0.000000 0.305826 Mn\n-0.000000 0.500000 0.694175 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.092106 S\n-0.000000 0.500000 0.907895 S\n0.000000 0.000000 0.288499 O\n0.500000 0.500000 0.288499 O\n0.500000 0.500000 0.711501 O\n0.000000 0.000000 0.711501 O\n0.500000 0.000000 0.430423 O\n-0.000000 0.500000 0.569577 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.239292147491067,
"density_atomic": 0.06752879928978316,
"volume": 236.93594685935335,
"volume_molar": 8.917885144318163,
"formula_full": "Sr4 Mn2 Cu2 S2 O6",
"formula_reduced": "Sr2MnCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.4510651014224138,
"spacegroup": 129
},
{
"id": "jvasp-119291",
"created_at": "2022-09-04T14:38:47.670003Z",
"updated_at": "2022-09-04T14:38:47.670028Z",
"structure_string": "Cd2 Fe4 O8\n1.0\n5.177399 -0.000691 -2.991144\n-1.725061 4.881616 -2.991053\n0.000493 0.000669 5.979305\nCd Fe O\n2 4 8\ndirect\n0.375005 0.125005 0.250001 Cd\n0.624995 0.874996 0.750002 Cd\n-0.000000 0.500000 0.500002 Fe\n0.500001 0.500000 0.000002 Fe\n-0.000000 0.000000 0.500001 Fe\n0.000001 0.500000 0.000001 Fe\n0.186641 0.728841 0.457800 O\n0.228959 0.271159 0.957801 O\n0.228829 0.686641 0.957811 O\n0.228830 0.271020 0.542190 O\n0.771170 0.313360 0.042191 O\n0.771169 0.728981 0.457812 O\n0.813359 0.271160 0.542202 O\n0.771041 0.728842 0.042202 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Fe",
"O"
],
"chemical_system": "Cd-Fe-O",
"density": 6.330738663136677,
"density_atomic": 0.09263224309368681,
"volume": 151.13528003246793,
"volume_molar": 6.501128072553851,
"formula_full": "Cd2 Fe4 O8",
"formula_reduced": "Cd(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.196426392857142,
"spacegroup": 227
},
{
"id": "jvasp-119292",
"created_at": "2022-09-04T14:38:29.730484Z",
"updated_at": "2022-09-04T14:38:29.730516Z",
"structure_string": "V2 Mo2 O10\n1.0\n4.290195 0.000000 0.000001\n-0.000003 6.620431 -0.000002\n-0.000000 0.000001 6.620430\nV Mo O\n2 2 10\ndirect\n0.841680 0.250000 0.250001 V\n0.158322 0.750000 0.750000 V\n0.500002 0.250000 0.750000 Mo\n0.500002 0.750000 0.250000 Mo\n0.742508 0.227866 0.967549 O\n0.742508 0.532451 0.227866 O\n0.742508 0.967549 0.272134 O\n0.742508 0.272134 0.532451 O\n0.221447 0.250000 0.250000 O\n0.778554 0.750000 0.750000 O\n0.257494 0.727866 0.467547 O\n0.257494 0.032454 0.727866 O\n0.257494 0.467546 0.772134 O\n0.257494 0.772134 0.032454 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"Mo",
"O"
],
"chemical_system": "Mo-O-V",
"density": 4.007033205452193,
"density_atomic": 0.07445237253021492,
"volume": 188.0396758923753,
"volume_molar": 8.088581404919019,
"formula_full": "V2 Mo2 O10",
"formula_reduced": "VMoO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.324796800000001,
"spacegroup": 85
}
]
}