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=406",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=404",
"results": [
{
"id": "jvasp-88729",
"created_at": "2022-09-04T14:35:45.809659Z",
"updated_at": "2022-09-04T14:35:45.809683Z",
"structure_string": "Ca2 H16 Cl4 O8\n1.0\n6.549103 -0.004429 -0.405882\n-2.279458 5.801389 -0.759527\n-0.017837 0.115704 8.311837\nCa H Cl O\n2 16 4 8\ndirect\n0.881626 0.004039 0.744583 Ca\n0.118372 0.995961 0.255417 Ca\n0.204282 0.754530 0.533171 H\n0.795716 0.245469 0.466829 H\n0.391632 0.761743 0.418199 H\n0.554393 0.242319 0.169737 H\n0.445605 0.757681 0.830263 H\n0.549856 0.408353 0.324359 H\n0.450142 0.591647 0.675641 H\n0.608367 0.238256 0.581801 H\n0.096089 0.684197 0.818929 H\n0.081177 0.460426 0.331652 H\n0.918821 0.539573 0.668348 H\n0.788809 0.647198 -0.001444 H\n0.211191 0.352802 0.001443 H\n0.672773 0.810383 0.067122 H\n0.327226 0.189616 0.932878 H\n0.903909 0.315803 0.181071 H\n0.738348 0.764965 0.407003 Cl\n0.261651 0.235034 0.592997 Cl\n0.291635 0.718513 0.048317 Cl\n0.708364 0.281487 0.951683 Cl\n0.765795 0.260109 0.582196 O\n0.186012 0.187243 0.969456 O\n0.813986 0.812757 0.030544 O\n0.019239 0.698837 0.716553 O\n0.980759 0.301162 0.283447 O\n0.514848 0.754164 0.728269 O\n0.485151 0.245835 0.271731 O\n0.234204 0.739890 0.417804 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ca",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O",
"density": 1.9215939871970127,
"density_atomic": 0.09482997535090627,
"volume": 316.3556659061527,
"volume_molar": 6.3504611677012806,
"formula_full": "Ca2 H16 Cl4 O8",
"formula_reduced": "CaH8(ClO2)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.394372837,
"spacegroup": 2
},
{
"id": "jvasp-86570",
"created_at": "2022-09-04T14:35:45.891264Z",
"updated_at": "2022-09-04T14:35:45.891291Z",
"structure_string": "Re2 Pb2 Cl2 O8\n1.0\n4.445117 0.000000 0.000000\n0.000000 5.753711 0.000000\n0.000000 0.000000 9.457348\nRe Pb Cl O\n2 2 2 8\ndirect\n0.245854 0.000000 0.129959 Re\n0.745854 0.500000 0.870041 Re\n0.710754 0.500000 0.324199 Pb\n0.210753 0.000000 0.675802 Pb\n0.666772 0.000000 0.460672 Cl\n0.166772 0.500000 0.539328 Cl\n0.639969 0.245323 0.778082 O\n0.139969 0.745323 0.221918 O\n0.628864 0.500000 0.047444 O\n0.637131 0.000000 0.127576 O\n0.639969 0.754676 0.778082 O\n0.139969 0.254676 0.221918 O\n0.128864 0.000000 0.952556 O\n0.137131 0.500000 0.872424 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Re",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Re",
"density": 6.767058647277516,
"density_atomic": 0.05787985374155625,
"volume": 241.880362423037,
"volume_molar": 10.404554211366738,
"formula_full": "Re2 Pb2 Cl2 O8",
"formula_reduced": "RePbClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.530746698214286,
"spacegroup": 31
},
{
"id": "jvasp-62981",
"created_at": "2022-09-04T14:35:40.748554Z",
"updated_at": "2022-09-04T14:35:40.748567Z",
"structure_string": "Th1 B2 Pt2 C1\n1.0\n-1.927033 1.927033 5.456641\n1.927033 -1.927033 5.456641\n1.927033 1.927033 -5.456641\nTh B Pt C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.635960 0.635960 0.000000 B\n0.364039 0.364039 0.000000 B\n0.250000 0.749999 0.499999 Pt\n0.749999 0.250000 0.499999 Pt\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Th",
"B",
"Pt",
"C"
],
"chemical_system": "B-C-Pt-Th",
"density": 13.436386882675997,
"density_atomic": 0.07402656086498019,
"volume": 81.05198904138778,
"volume_molar": 8.135108114753578,
"formula_full": "Th1 B2 Pt2 C1",
"formula_reduced": "ThB2Pt2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.2551455944444445,
"spacegroup": 139
},
{
"id": "jvasp-48956",
"created_at": "2022-09-04T14:35:44.592873Z",
"updated_at": "2022-09-04T14:35:44.592900Z",
"structure_string": "Li2 V4 O6 F2\n1.0\n5.928670 0.053396 0.049155\n3.007439 5.110220 0.009338\n2.934236 1.734491 4.848143\nLi V O F\n2 4 6 2\ndirect\n0.503155 0.003152 0.991788 Li\n0.866765 0.366749 0.384503 Li\n0.130153 0.630108 0.611722 V\n0.993648 0.025235 0.987397 V\n0.499339 -0.000712 0.519140 V\n0.525209 0.493698 0.987390 V\n0.737840 0.748054 0.757087 O\n0.744220 0.244329 0.778476 O\n0.734775 0.234723 0.250617 O\n0.248081 0.237778 0.757034 O\n0.257254 0.757322 0.754209 O\n0.248305 0.748287 0.225075 O\n0.742987 0.768275 0.247789 F\n0.268277 0.243009 0.247760 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.012340658030526,
"density_atomic": 0.09620042163327489,
"volume": 145.52950769144573,
"volume_molar": 6.2599941432242066,
"formula_full": "Li2 V4 O6 F2",
"formula_reduced": "LiV2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.3264313117857145,
"spacegroup": 8
},
{
"id": "jvasp-91628",
"created_at": "2022-09-04T14:35:44.574093Z",
"updated_at": "2022-09-04T14:35:44.574120Z",
"structure_string": "Mg1 Si1 H2 O4\n1.0\n0.000000 0.000000 -2.852760\n0.233299 -4.320768 0.000000\n-4.787290 -0.013451 0.000000\nMg Si H O\n1 1 2 4\ndirect\n0.500000 0.498522 0.526147 Mg\n0.000000 0.999211 0.995777 Si\n0.000000 0.023561 0.479971 H\n0.500000 0.538391 0.031954 H\n0.000000 0.771118 0.693564 O\n0.500000 0.751438 0.144432 O\n0.000000 0.199858 0.338853 O\n0.500000 0.226403 0.889501 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 3.3314522687642767,
"density_atomic": 0.1355527035807613,
"volume": 59.017635123991894,
"volume_molar": 4.442656325487491,
"formula_full": "Mg1 Si1 H2 O4",
"formula_reduced": "MgSi(HO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.21443895625,
"spacegroup": 6
},
{
"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
}
]
}