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=-nelements&page=346",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=344",
"results": [
{
"id": "jvasp-43424",
"created_at": "2022-09-04T14:35:43.350714Z",
"updated_at": "2022-09-04T14:35:43.350737Z",
"structure_string": "Li4 Mn2 Cu2 O8\n1.0\n5.943521 0.037889 -0.070346\n0.399584 5.930195 -0.070346\n-3.225384 -3.034690 4.098643\nLi Mn Cu O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.499999 Li\n0.499999 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000000 Li\n0.499999 0.500000 -0.000001 Li\n-0.000001 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.234401 0.738363 0.017985 O\n0.270828 0.239560 0.488895 O\n0.261636 0.765598 0.482013 O\n0.760438 0.729172 0.011102 O\n0.239560 0.270828 0.988895 O\n0.738363 0.234402 0.517984 O\n0.729170 0.760440 0.511102 O\n0.765597 0.261636 0.982013 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.596436373319908,
"density_atomic": 0.11277194144193908,
"volume": 141.87926354214306,
"volume_molar": 5.340105599849512,
"formula_full": "Li4 Mn2 Cu2 O8",
"formula_reduced": "Li2MnCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9485314614224132,
"spacegroup": 15
},
{
"id": "jvasp-98020",
"created_at": "2022-09-04T14:35:42.140105Z",
"updated_at": "2022-09-04T14:35:42.140123Z",
"structure_string": "Cu6 H4 C4 O16\n1.0\n4.930183 0.000000 -0.135691\n0.000000 5.872879 0.000000\n0.163218 0.000000 10.505212\nCu H C O\n6 4 4 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.752005 0.001940 0.415292 Cu\n0.247995 0.501940 0.084708 Cu\n0.247995 -0.001940 0.584708 Cu\n0.752005 0.498060 0.915292 Cu\n0.000000 0.500000 0.500000 Cu\n0.198799 0.700621 0.871233 H\n0.801201 0.200621 0.628767 H\n0.801201 0.299380 0.128767 H\n0.198798 0.799380 0.371233 H\n0.666565 0.806048 0.184251 C\n0.333435 0.193952 0.815749 C\n0.666565 0.693952 0.684251 C\n0.333434 0.306048 0.315749 C\n0.560975 0.797077 0.296018 O\n0.439025 0.297077 0.203982 O\n0.454283 0.280617 0.914476 O\n0.545717 0.780617 0.585524 O\n0.545716 0.719383 0.085524 O\n0.454283 0.219383 0.414476 O\n0.899732 0.593884 0.671056 O\n0.899732 0.906117 0.171056 O\n0.076953 0.689125 0.945319 O\n0.923047 0.189125 0.554681 O\n0.923047 0.310875 0.054681 O\n0.076953 0.810875 0.445319 O\n0.439025 0.202923 0.703982 O\n0.560975 0.702923 0.796018 O\n0.100268 0.093883 0.828944 O\n0.100267 0.406117 0.328944 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Cu-H-O",
"density": 3.7616518464673985,
"density_atomic": 0.0985863233081451,
"volume": 304.3018442449758,
"volume_molar": 6.1084951319028,
"formula_full": "Cu6 H4 C4 O16",
"formula_reduced": "Cu3H2(CO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.848847956666667,
"spacegroup": 14
},
{
"id": "jvasp-42398",
"created_at": "2022-09-04T14:35:44.075352Z",
"updated_at": "2022-09-04T14:35:44.075379Z",
"structure_string": "Li4 Fe2 O4 F2\n1.0\n1.413929 -2.448998 -0.000000\n1.413929 2.448998 0.000000\n0.000000 0.000000 14.023486\nLi Fe O F\n4 2 4 2\ndirect\n0.666667 0.333333 0.835196 Li\n0.333333 0.666667 0.164804 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.332762 Fe\n0.333333 0.666667 0.667239 Fe\n0.666667 0.333333 0.592089 O\n0.333333 0.666667 0.407911 O\n0.000000 0.000000 0.257583 O\n0.000000 0.000000 0.742417 O\n0.666667 0.333333 0.082613 F\n0.333333 0.666667 0.917387 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.128301690011344,
"density_atomic": 0.12356037924424604,
"volume": 97.11851058889346,
"volume_molar": 4.873844509732224,
"formula_full": "Li4 Fe2 O4 F2",
"formula_reduced": "Li2FeO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.3835737970833335,
"spacegroup": 164
},
{
"id": "jvasp-86230",
"created_at": "2022-09-04T14:35:41.375890Z",
"updated_at": "2022-09-04T14:35:41.375916Z",
"structure_string": "Nd1 B2 Rh2 C1\n1.0\n3.646350 -0.000000 -1.284244\n-0.452310 3.618187 -1.284244\n0.004212 0.004772 5.830618\nNd B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.644999 0.644999 0.289999 B\n0.355001 0.355001 0.710003 B\n0.750000 0.250000 0.500001 Rh\n0.250000 0.750000 0.500001 Rh\n0.500000 0.500000 0.000001 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Nd",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Nd-Rh",
"density": 8.277677956534117,
"density_atomic": 0.07795340066740745,
"volume": 76.9690603441322,
"volume_molar": 7.725308592621636,
"formula_full": "Nd1 B2 Rh2 C1",
"formula_reduced": "NdB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.040545444444445,
"spacegroup": 139
},
{
"id": "jvasp-98354",
"created_at": "2022-09-04T14:35:44.029909Z",
"updated_at": "2022-09-04T14:35:44.029933Z",
"structure_string": "Ba9 Y2 Si6 O24\n1.0\n5.040557 2.910164 7.441032\n-5.040586 2.910168 7.441050\n-0.000011 -5.820370 7.441056\nBa Y Si O\n9 2 6 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.662362 0.662365 0.662357 Ba\n0.337637 0.337635 0.337643 Ba\n0.248991 0.559013 0.860956 Ba\n0.559012 0.860957 0.248989 Ba\n0.860954 0.248992 0.559013 Ba\n0.751008 0.440987 0.139044 Ba\n0.440988 0.139043 0.751011 Ba\n0.139046 0.751009 0.440987 Ba\n0.835481 0.835480 0.835481 Y\n0.164518 0.164520 0.164520 Y\n0.410978 0.754468 0.053985 Si\n0.053986 0.410979 0.754468 Si\n0.754468 0.053983 0.410981 Si\n0.589022 0.245533 0.946015 Si\n0.946014 0.589021 0.245532 Si\n0.245532 0.946017 0.589020 Si\n0.429262 0.618065 0.231781 O\n0.768217 0.570737 0.381929 O\n0.381931 0.768221 0.570736 O\n0.570738 0.381935 0.768220 O\n0.094508 0.281365 0.930143 O\n0.930145 0.094507 0.281371 O\n0.281369 0.930143 0.094512 O\n0.905492 0.718635 0.069857 O\n0.069855 0.905493 0.718629 O\n0.718630 0.069857 0.905488 O\n0.595825 0.784898 0.951369 O\n0.708177 0.940633 0.359569 O\n0.784898 0.951362 0.595826 O\n0.404175 0.215102 0.048632 O\n0.048632 0.404178 0.215096 O\n0.215101 0.048638 0.404175 O\n0.359566 0.708185 0.940632 O\n0.940633 0.359576 0.708172 O\n0.618069 0.231779 0.429264 O\n0.640434 0.291816 0.059369 O\n0.059366 0.640424 0.291828 O\n0.291823 0.059367 0.640432 O\n0.951368 0.595823 0.784905 O\n0.231783 0.429264 0.618071 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Si",
"O"
],
"chemical_system": "Ba-O-Si-Y",
"density": 4.9854445470942945,
"density_atomic": 0.06260358224396706,
"volume": 654.9145996186354,
"volume_molar": 9.619482694347473,
"formula_full": "Ba9 Y2 Si6 O24",
"formula_reduced": "Ba9Y2(SiO4)6",
"formula_anonymous": "A2B6C9D24",
"energy_above_hull": 2.4619948836585364,
"spacegroup": 148
},
{
"id": "jvasp-85684",
"created_at": "2022-09-04T14:35:41.713703Z",
"updated_at": "2022-09-04T14:35:41.713736Z",
"structure_string": "Hg2 H4 N2 Cl2\n1.0\n6.841971 0.000000 0.000000\n0.000000 4.404313 0.000000\n0.000000 0.000000 5.095614\nHg H N Cl\n2 4 2 2\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.250000 0.811505 0.362282 H\n0.750000 0.811505 0.637717 H\n0.750000 0.188494 0.637717 H\n0.250000 0.188494 0.362282 H\n0.250000 0.000000 0.240176 N\n0.750000 0.000000 0.759823 N\n0.250000 0.500000 0.715735 Cl\n0.750000 0.500000 0.284264 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Hg",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-Hg-N",
"density": 5.451759796814231,
"density_atomic": 0.06512445074307661,
"volume": 153.55215876524073,
"volume_molar": 9.247127140861476,
"formula_full": "Hg2 H4 N2 Cl2",
"formula_reduced": "HgH2NCl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.8043843835000004,
"spacegroup": 51
},
{
"id": "jvasp-42817",
"created_at": "2022-09-04T14:35:47.053819Z",
"updated_at": "2022-09-04T14:35:47.053844Z",
"structure_string": "Li8 Co1 O5 F1\n1.0\n5.243399 0.008417 -0.027492\n-2.143334 4.814675 0.023259\n-2.461346 -1.228364 5.021623\nLi Co O F\n8 1 5 1\ndirect\n0.241598 0.466366 0.355533 Li\n0.125003 0.229552 0.662022 Li\n0.409856 0.888315 0.647185 Li\n0.719125 0.365371 0.011497 Li\n0.325266 0.682111 0.981022 Li\n0.570909 0.096410 0.342709 Li\n0.900008 0.795154 0.364365 Li\n0.762835 0.523295 0.656944 Li\n0.949739 0.961924 0.974452 Co\n0.495512 0.581123 0.761138 O\n0.865299 0.104412 0.231498 O\n0.161791 0.771198 0.228832 O\n0.811695 0.203110 0.751715 O\n0.115031 0.887458 0.756330 O\n0.546335 0.444205 0.274760 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 2.799478885568479,
"density_atomic": 0.11847037794707564,
"volume": 126.61392881434853,
"volume_molar": 5.083246009977511,
"formula_full": "Li8 Co1 O5 F1",
"formula_reduced": "Li8CoO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.5845765788333337,
"spacegroup": 1
},
{
"id": "jvasp-42295",
"created_at": "2022-09-04T14:35:43.369033Z",
"updated_at": "2022-09-04T14:35:43.369051Z",
"structure_string": "Li2 Cr3 Cu1 O8\n1.0\n5.870909 0.048820 0.034522\n2.977735 5.059946 0.034522\n2.977735 1.719196 4.759056\nLi Cr Cu O\n2 3 1 8\ndirect\n0.123975 0.123975 0.123975 Li\n0.876023 0.876026 0.876025 Li\n-0.000001 0.500001 0.500000 Cr\n0.499999 0.000000 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.499999 0.500001 0.500000 Cu\n0.261809 0.261810 0.261810 O\n0.253017 0.253019 0.711583 O\n0.253017 0.711584 0.253018 O\n0.711582 0.253019 0.253018 O\n0.288415 0.746983 0.746982 O\n0.746980 0.288418 0.746982 O\n0.746980 0.746982 0.288417 O\n0.738188 0.738191 0.738190 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-Li-O",
"density": 4.286817745020134,
"density_atomic": 0.10000276093776153,
"volume": 139.9961347938498,
"volume_molar": 6.0219744970321205,
"formula_full": "Li2 Cr3 Cu1 O8",
"formula_reduced": "Li2Cr3CuO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.919142189285715,
"spacegroup": 166
},
{
"id": "jvasp-28638",
"created_at": "2022-09-04T14:35:41.441678Z",
"updated_at": "2022-09-04T14:35:41.441698Z",
"structure_string": "Te4 Mo3 W1 S4\n1.0\n3.371127 0.000004 -0.000008\n-1.685561 2.919488 -0.000034\n-0.000093 -0.000402 35.688851\nTe Mo W S\n4 3 1 4\ndirect\n0.333358 0.666710 0.335384 Te\n0.333357 0.666707 0.709591 Te\n0.333330 0.666664 0.228812 Te\n0.333347 0.666690 0.603635 Te\n0.333317 0.666634 0.094813 Mo\n0.333324 0.666647 0.469348 Mo\n0.666685 0.333365 0.656686 Mo\n0.666677 0.333353 0.282102 W\n0.666644 0.333289 0.052508 S\n0.666644 0.333295 0.427024 S\n0.666657 0.333312 0.137177 S\n0.666672 0.333332 0.511669 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.249072704888871,
"density_atomic": 0.03416383172336481,
"volume": 351.2486566837039,
"volume_molar": 17.627240435918164,
"formula_full": "Te4 Mo3 W1 S4",
"formula_reduced": "Te4Mo3WS4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.732984063888889,
"spacegroup": 156
},
{
"id": "jvasp-48908",
"created_at": "2022-09-04T14:35:44.024732Z",
"updated_at": "2022-09-04T14:35:44.024757Z",
"structure_string": "Li4 Ni2 O4 F2\n1.0\n1.439097 -2.492588 0.000000\n1.439097 2.492588 -0.000000\n0.000000 -0.000000 14.032300\nLi Ni O F\n4 2 4 2\ndirect\n-0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.333334 0.666668 0.163993 Li\n0.666668 0.333334 0.836007 Li\n0.333334 0.666668 0.667480 Ni\n0.666668 0.333334 0.332520 Ni\n-0.000000 0.000000 0.742342 O\n0.333334 0.666668 0.407764 O\n-0.000000 0.000000 0.257658 O\n0.666668 0.333334 0.592236 O\n0.333334 0.666668 0.917755 F\n0.666668 0.333334 0.082245 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.076635334441161,
"density_atomic": 0.11920152776879428,
"volume": 100.66985066899012,
"volume_molar": 5.052066758473656,
"formula_full": "Li4 Ni2 O4 F2",
"formula_reduced": "Li2NiO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.9767766137500002,
"spacegroup": 164
},
{
"id": "jvasp-97314",
"created_at": "2022-09-04T14:35:46.291505Z",
"updated_at": "2022-09-04T14:35:46.291532Z",
"structure_string": "Li2 Sc2 P4 O14\n1.0\n4.932943 -0.045526 0.000000\n-2.424768 6.673342 0.000000\n0.000000 0.000000 8.373817\nLi Sc P O\n2 2 4 14\ndirect\n0.813368 0.334109 0.358166 Li\n0.186630 0.665891 0.858167 Li\n0.779280 0.265577 0.000628 Sc\n0.220719 0.734423 0.500628 Sc\n0.593497 0.469178 0.679260 P\n0.193074 0.074637 0.786210 P\n0.806925 0.925362 0.286210 P\n0.406501 0.530821 0.179260 P\n0.388037 0.236136 0.656509 O\n0.925528 0.125550 0.821443 O\n0.373508 0.082012 0.936077 O\n0.242262 0.514330 0.337249 O\n0.626490 0.917987 0.436077 O\n0.757737 0.485670 0.837249 O\n0.074471 0.874449 0.321443 O\n0.128351 0.872685 0.701712 O\n0.871647 0.127314 0.201712 O\n0.397650 0.594839 0.680935 O\n0.203916 0.491286 0.034813 O\n0.796083 0.508713 0.534813 O\n0.611962 0.763863 0.156509 O\n0.602349 0.405160 0.180935 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Sc",
"P",
"O"
],
"chemical_system": "Li-O-P-Sc",
"density": 2.730022710721561,
"density_atomic": 0.08007713537993233,
"volume": 274.73510254355693,
"volume_molar": 7.520424814683337,
"formula_full": "Li2 Sc2 P4 O14",
"formula_reduced": "LiScP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.6219791590909085,
"spacegroup": 4
},
{
"id": "jvasp-97777",
"created_at": "2022-09-04T14:35:41.721512Z",
"updated_at": "2022-09-04T14:35:41.721539Z",
"structure_string": "Na4 Nd4 Ga16 S32\n1.0\n11.373009 0.022414 -3.159427\n-6.560341 9.290198 -3.159427\n-0.002250 -0.004354 11.846427\nNa Nd Ga S\n4 4 16 32\ndirect\n0.378501 0.621500 0.750000 Na\n0.128501 0.871499 0.250000 Na\n0.621499 0.378501 0.250000 Na\n0.871499 0.128501 0.750000 Na\n0.625000 0.375000 0.750000 Nd\n0.375000 0.625000 0.250000 Nd\n0.875000 0.125000 0.250000 Nd\n0.125000 0.875001 0.750000 Nd\n0.468652 0.968879 0.609908 Ga\n0.531348 0.031121 0.390092 Ga\n0.641257 0.641029 0.609908 Ga\n0.031121 0.531349 0.890092 Ga\n0.358971 0.358744 0.890092 Ga\n0.358744 0.358971 0.390092 Ga\n0.866797 0.861452 0.978139 Ga\n0.883312 0.388658 0.521860 Ga\n0.138549 0.133203 0.521861 Ga\n0.611343 0.116688 0.978140 Ga\n0.133203 0.138549 0.021860 Ga\n0.116688 0.611343 0.478140 Ga\n0.861452 0.866797 0.478139 Ga\n0.388658 0.883312 0.021860 Ga\n0.641029 0.641256 0.109908 Ga\n0.968879 0.468652 0.109908 Ga\n0.149893 0.152295 0.834107 S\n0.318188 0.815786 0.665893 S\n0.091701 0.419225 0.004844 S\n0.586857 0.414381 0.995156 S\n0.908299 0.580776 0.995156 S\n0.847706 0.850108 0.665893 S\n0.184214 0.681813 0.834107 S\n0.345451 0.840303 0.186505 S\n0.653798 0.658945 0.313494 S\n0.414380 0.586857 0.495156 S\n0.580776 0.908299 0.495156 S\n0.413143 0.585620 0.004844 S\n0.078008 0.406370 0.494720 S\n0.911649 0.083287 0.005279 S\n0.593631 0.921992 0.005279 S\n0.916713 0.088351 0.494720 S\n0.921993 0.593631 0.505279 S\n0.088351 0.916713 0.994721 S\n0.406370 0.078008 0.994721 S\n0.083288 0.911649 0.505280 S\n0.850107 0.847706 0.165893 S\n0.681813 0.184214 0.334107 S\n0.152294 0.149893 0.334107 S\n0.815786 0.318187 0.165893 S\n0.658945 0.653798 0.813494 S\n0.840303 0.345451 0.686505 S\n0.346203 0.341055 0.686506 S\n0.419225 0.091701 0.504844 S\n0.341055 0.346202 0.186505 S\n0.159697 0.654550 0.313494 S\n0.585620 0.413143 0.504844 S\n0.654549 0.159697 0.813494 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Na",
"Nd",
"Ga",
"S"
],
"chemical_system": "Ga-Na-Nd-S",
"density": 3.7244391569180846,
"density_atomic": 0.04468941016875565,
"volume": 1253.0932896302152,
"volume_molar": 13.475543170651079,
"formula_full": "Na4 Nd4 Ga16 S32",
"formula_reduced": "NaNd(GaS2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.1841714142857145,
"spacegroup": 70
}
]
}