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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=414",
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"results": [
{
"id": "jvasp-109896",
"created_at": "2022-09-04T14:38:02.972727Z",
"updated_at": "2022-09-04T14:38:02.972754Z",
"structure_string": "Rb2 Tl1 Sb1 Br6\n1.0\n7.182185 -0.000000 4.146637\n2.394062 6.771429 4.146637\n-0.000000 -0.000000 8.293273\nRb Tl Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.761142 0.238858 0.238858 Br\n0.238858 0.238858 0.761142 Br\n0.238858 0.761142 0.761142 Br\n0.238858 0.761142 0.238859 Br\n0.761142 0.238858 0.761142 Br\n0.761142 0.761142 0.238859 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.020311982323994,
"density_atomic": 0.024793459051720673,
"volume": 403.33218447411423,
"volume_molar": 24.289231879414025,
"formula_full": "Rb2 Tl1 Sb1 Br6",
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"spacegroup": 225
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{
"id": "jvasp-56546",
"created_at": "2022-09-04T14:37:40.216001Z",
"updated_at": "2022-09-04T14:37:40.216014Z",
"structure_string": "Cd4 Bi4 Se8 Br4\n1.0\n4.173554 0.000000 0.000000\n0.000000 10.023037 0.000000\n0.000000 0.000000 13.294841\nCd Bi Se Br\n4 4 8 4\ndirect\n0.749999 0.506003 0.736708 Cd\n0.749999 0.006003 0.763292 Cd\n0.250000 0.493997 0.263292 Cd\n0.250000 0.993997 0.236708 Cd\n0.749999 0.306101 0.025963 Bi\n0.250000 0.193900 0.525963 Bi\n0.749999 0.806101 0.474037 Bi\n0.250000 0.693900 0.974036 Bi\n0.749999 0.556561 0.113354 Se\n0.250000 0.943439 0.613354 Se\n0.250000 0.443439 0.886646 Se\n0.749999 0.748978 0.830652 Se\n0.250000 0.251022 0.169348 Se\n0.749999 0.248978 0.669348 Se\n0.250000 0.751023 0.330652 Se\n0.749999 0.056561 0.386646 Se\n0.749999 0.925169 0.103042 Br\n0.250000 0.574832 0.603042 Br\n0.749999 0.425169 0.396958 Br\n0.250000 0.074832 0.896958 Br\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"Se",
"Br"
],
"chemical_system": "Bi-Br-Cd-Se",
"density": 6.678819295657802,
"density_atomic": 0.035961804631055215,
"volume": 556.145616305606,
"volume_molar": 16.745935922246552,
"formula_full": "Cd4 Bi4 Se8 Br4",
"formula_reduced": "CdBiSe2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2455809776666668,
"spacegroup": 62
},
{
"id": "jvasp-26380",
"created_at": "2022-09-04T14:37:39.334849Z",
"updated_at": "2022-09-04T14:37:39.334869Z",
"structure_string": "Lu1 Bi2 Cl1 O4\n1.0\n3.847767 0.000000 -0.000000\n-0.000000 3.847767 0.000000\n-0.000000 0.000000 8.926199\nLu Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.721762 Bi\n0.500000 0.500000 0.278238 Bi\n0.000000 0.000000 0.500000 Cl\n0.000000 0.500000 0.148918 O\n0.500000 0.000000 0.148918 O\n0.000000 0.500000 0.851082 O\n0.500000 0.000000 0.851082 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Bi-Cl-Lu-O",
"density": 8.699784846732738,
"density_atomic": 0.060534908595467334,
"volume": 132.15515122788202,
"volume_molar": 9.948211535667404,
"formula_full": "Lu1 Bi2 Cl1 O4",
"formula_reduced": "LuBi2ClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.5953478021875,
"spacegroup": 123
},
{
"id": "jvasp-23306",
"created_at": "2022-09-04T14:37:50.019922Z",
"updated_at": "2022-09-04T14:37:50.019940Z",
"structure_string": "Sr6 Sc2 Ni2 O12\n1.0\n6.651092 -0.001916 -0.372556\n-0.393901 6.639418 -0.372556\n-0.001806 -0.001916 6.661518\nSr Sc Ni O\n6 2 2 12\ndirect\n0.878369 0.249999 0.621629 Sr\n0.621629 0.878370 0.250000 Sr\n0.249998 0.621629 0.878371 Sr\n0.750000 0.378371 0.121629 Sr\n0.378369 0.121628 0.750000 Sr\n0.121630 0.750000 0.378371 Sr\n0.250001 0.250000 0.250000 Sc\n0.749999 0.750000 0.749999 Sc\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500000 Ni\n0.093681 0.288082 0.965867 O\n0.788083 0.593681 0.465867 O\n0.534132 0.211917 0.406316 O\n0.406317 0.534132 0.211917 O\n0.211917 0.406317 0.534133 O\n0.711917 0.034131 0.906317 O\n0.906317 0.711916 0.034131 O\n0.034132 0.906318 0.711917 O\n0.465866 0.788083 0.593682 O\n0.593682 0.465866 0.788083 O\n0.965867 0.093682 0.288083 O\n0.288083 0.965867 0.093681 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Ni",
"O"
],
"chemical_system": "Ni-O-Sc-Sr",
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"density_atomic": 0.07479076108540607,
"volume": 294.15397945847167,
"volume_molar": 8.051984860968476,
"formula_full": "Sr6 Sc2 Ni2 O12",
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"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-54374",
"created_at": "2022-09-04T14:37:34.218577Z",
"updated_at": "2022-09-04T14:37:34.218603Z",
"structure_string": "K2 Ge2 Pb2 O7\n1.0\n2.909113 -5.038731 -0.000000\n2.909112 5.038731 -0.000000\n-0.000000 0.000000 7.970772\nK Ge Pb O\n2 2 2 7\ndirect\n0.666667 0.333333 0.928880 K\n0.333333 0.666667 0.071120 K\n0.000000 0.000000 0.272741 Ge\n0.000000 0.000000 0.727259 Ge\n0.333333 0.666667 0.616892 Pb\n0.666667 0.333333 0.383108 Pb\n0.771578 0.099374 0.207614 O\n0.228421 0.900625 0.792386 O\n0.327797 0.228421 0.207614 O\n0.000000 0.000000 0.500000 O\n0.099374 0.327797 0.792386 O\n0.900625 0.672202 0.207614 O\n0.672203 0.771578 0.792386 O\n",
"nsites": 13,
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"elements": [
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"Ge",
"Pb",
"O"
],
"chemical_system": "Ge-K-O-Pb",
"density": 5.328738328827541,
"density_atomic": 0.05563284632244803,
"volume": 233.67490357498494,
"volume_molar": 10.824793549292204,
"formula_full": "K2 Ge2 Pb2 O7",
"formula_reduced": "K2Ge2Pb2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 1.4848418492307691,
"spacegroup": 147
},
{
"id": "jvasp-23755",
"created_at": "2022-09-04T14:37:34.223439Z",
"updated_at": "2022-09-04T14:37:34.223465Z",
"structure_string": "Mg4 Si2 B4 Ir10\n1.0\n9.420489 0.000000 0.000000\n-0.000000 9.420489 -0.000000\n-0.000000 -0.000000 2.919934\nMg Si B Ir\n4 2 4 10\ndirect\n0.674908 0.825092 0.000000 Mg\n0.825092 0.325092 0.000000 Mg\n0.174908 0.674908 0.000000 Mg\n0.325092 0.174908 0.000000 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.873972 0.626028 0.000000 B\n0.626028 0.126028 0.000000 B\n0.373972 0.873972 0.000000 B\n0.126028 0.373972 0.000000 B\n0.927517 0.790732 0.499999 Ir\n0.500000 0.000000 0.499999 Ir\n0.572483 0.290732 0.499999 Ir\n0.709269 0.572483 0.499999 Ir\n0.290732 0.427517 0.499999 Ir\n0.209268 0.927517 0.499999 Ir\n0.000000 0.500000 0.499999 Ir\n0.072483 0.209268 0.499999 Ir\n0.790732 0.072483 0.499999 Ir\n0.427517 0.709269 0.499999 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Si",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg-Si",
"density": 13.57751083093783,
"density_atomic": 0.0771809405986758,
"volume": 259.1313327469754,
"volume_molar": 7.802626805643415,
"formula_full": "Mg4 Si2 B4 Ir10",
"formula_reduced": "Mg2SiB2Ir5",
"formula_anonymous": "AB2C2D5",
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"spacegroup": 127
},
{
"id": "jvasp-25788",
"created_at": "2022-09-04T14:37:38.416250Z",
"updated_at": "2022-09-04T14:37:38.416270Z",
"structure_string": "As4 S4 Cl12 F24\n1.0\n7.705037 0.000000 0.000000\n0.000000 8.512965 0.000000\n0.000000 0.000000 12.061162\nAs S Cl F\n4 4 12 24\ndirect\n0.301974 0.532211 0.684597 As\n0.698026 0.032211 0.815402 As\n0.801975 0.967788 0.315402 As\n0.198026 0.467789 0.184598 As\n0.151793 0.021975 0.024572 S\n0.348207 0.978025 0.524572 S\n0.848207 0.521974 0.475428 S\n0.651793 0.478025 0.975428 S\n0.213745 0.174308 0.905822 Cl\n0.343632 0.183262 0.444221 Cl\n0.865386 0.492111 0.879981 Cl\n0.656368 0.683262 0.055778 Cl\n0.634614 0.507888 0.379981 Cl\n0.286255 0.825692 0.405823 Cl\n0.786255 0.674307 0.594177 Cl\n0.365386 0.007888 0.120018 Cl\n0.134614 0.992111 0.620018 Cl\n0.843633 0.316737 0.555778 Cl\n0.156368 0.816737 0.944221 Cl\n0.713746 0.325692 0.094177 Cl\n0.701497 0.148996 0.280562 F\n0.880219 0.133831 0.759785 F\n0.902586 0.958773 0.183578 F\n0.402585 0.541227 0.816421 F\n0.298503 0.648995 0.219438 F\n0.481666 0.430645 0.629357 F\n0.697102 0.972288 0.447128 F\n0.018334 0.569355 0.129357 F\n0.097415 0.458773 0.316422 F\n0.600570 0.215211 0.851174 F\n0.802898 0.027711 0.947127 F\n0.798503 0.851004 0.780562 F\n0.597415 0.041227 0.683578 F\n0.899430 0.784789 0.351174 F\n0.380219 0.366169 0.240215 F\n0.619781 0.866169 0.259785 F\n0.119781 0.633831 0.740215 F\n0.518334 0.930644 0.870643 F\n0.302898 0.472288 0.052872 F\n0.201497 0.351004 0.719438 F\n0.981667 0.069355 0.370643 F\n0.197102 0.527711 0.552872 F\n0.399430 0.715210 0.648825 F\n0.100570 0.284789 0.148825 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"F"
],
"chemical_system": "As-Cl-F-S",
"density": 2.748262159808626,
"density_atomic": 0.05561704996507605,
"volume": 791.1243050041163,
"volume_molar": 10.827868007709,
"formula_full": "As4 S4 Cl12 F24",
"formula_reduced": "AsS(ClF2)3",
"formula_anonymous": "ABC3D6",
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},
{
"id": "jvasp-29431",
"created_at": "2022-09-04T14:37:58.167097Z",
"updated_at": "2022-09-04T14:37:58.167129Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.955727 0.000000 0.000000\n-0.000000 9.587592 0.000000\n0.000000 0.000000 12.573216\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750001 0.000188 0.269140 Cd\n0.250000 0.499812 0.769140 Cd\n0.250000 -0.000188 0.730860 Cd\n0.750001 0.500188 0.230860 Cd\n0.750001 0.812576 0.969930 Sb\n0.750001 0.312576 0.530070 Sb\n0.250000 0.187424 0.030070 Sb\n0.250000 0.687423 0.469930 Sb\n0.750001 0.741238 0.332996 S\n0.250000 0.258762 0.667004 S\n0.250000 0.946881 0.110406 S\n0.250000 0.758762 0.832996 S\n0.750001 0.053119 0.889594 S\n0.250000 0.446881 0.389594 S\n0.750001 0.241238 0.167004 S\n0.750001 0.553119 0.610406 S\n0.750001 0.426241 0.896070 Cl\n0.250000 0.073759 0.396070 Cl\n0.250000 0.573759 0.103930 Cl\n0.750001 0.926241 0.603931 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Sb",
"S",
"Cl"
],
"chemical_system": "Cd-Cl-S-Sb",
"density": 4.648933518622831,
"density_atomic": 0.04194186742736233,
"volume": 476.8504891833276,
"volume_molar": 14.358303836684282,
"formula_full": "Cd4 Sb4 S8 Cl4",
"formula_reduced": "CdSbS2Cl",
"formula_anonymous": "ABCD2",
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"spacegroup": 62
},
{
"id": "jvasp-59581",
"created_at": "2022-09-04T14:38:02.466250Z",
"updated_at": "2022-09-04T14:38:02.466271Z",
"structure_string": "Ca2 Pd1 W1 O6\n1.0\n4.933823 0.000000 2.848544\n1.644607 4.651652 2.848544\n-0.000000 -0.000000 5.697088\nCa Pd W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.749999 Ca\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 W\n0.238134 0.761866 0.761866 O\n0.238134 0.761866 0.238133 O\n0.761866 0.238133 0.761867 O\n0.238133 0.238133 0.761867 O\n0.761866 0.238133 0.238133 O\n0.761867 0.761866 0.238132 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.9234602125593945,
"density_atomic": 0.07648148119265191,
"volume": 130.7506058206515,
"volume_molar": 7.873985527072386,
"formula_full": "Ca2 Pd1 W1 O6",
"formula_reduced": "Ca2PdWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.556806754,
"spacegroup": 225
},
{
"id": "jvasp-40417",
"created_at": "2022-09-04T14:37:50.006120Z",
"updated_at": "2022-09-04T14:37:50.006140Z",
"structure_string": "Pr6 Mn2 Al2 S14\n1.0\n0.000000 9.877131 0.000053\n6.175422 0.000000 0.000000\n0.000000 -4.938435 -8.553943\nPr Mn Al S\n6 2 2 14\ndirect\n0.840201 0.774339 0.215116 Pr\n0.159798 0.274339 0.784884 Pr\n0.374911 0.774334 0.159797 Pr\n0.784887 0.774334 0.625091 Pr\n0.215112 0.274334 0.374909 Pr\n0.625088 0.274335 0.840203 Pr\n0.000000 0.942270 0.000000 Mn\n-0.000000 0.442270 -0.000000 Mn\n0.666668 0.349044 0.333335 Al\n0.333332 0.849044 0.666665 Al\n0.909269 0.488334 0.474367 S\n0.525633 0.488340 0.434898 S\n0.434897 0.988333 0.909265 S\n0.565103 0.488333 0.090735 S\n0.783297 0.687954 0.906254 S\n0.122952 0.687953 0.216701 S\n0.333335 0.489812 0.666662 S\n0.216702 0.187954 0.093746 S\n0.093749 0.687952 0.877047 S\n0.906251 0.187952 0.122953 S\n0.090730 0.988334 0.525633 S\n0.666664 0.989812 0.333338 S\n0.877048 0.187953 0.783299 S\n0.474367 0.988340 0.565102 S\n",
"nsites": 24,
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"elements": [
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"Al",
"S"
],
"chemical_system": "Al-Mn-Pr-S",
"density": 4.64090054126266,
"density_atomic": 0.04599904133698836,
"volume": 521.7500039658723,
"volume_molar": 13.091883189221006,
"formula_full": "Pr6 Mn2 Al2 S14",
"formula_reduced": "Pr3MnAlS7",
"formula_anonymous": "ABC3D7",
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"spacegroup": 173
},
{
"id": "jvasp-57080",
"created_at": "2022-09-04T14:37:49.952326Z",
"updated_at": "2022-09-04T14:37:49.952346Z",
"structure_string": "K8 Na4 Tl4 O12\n1.0\n0.000000 6.327860 0.054475\n6.983885 0.000000 0.000000\n0.000000 -1.175811 -12.038392\nK Na Tl O\n8 4 4 12\ndirect\n0.573843 0.165865 0.141121 K\n0.929194 0.643202 0.860046 K\n0.070806 0.143201 0.639953 K\n0.573843 0.334135 0.641121 K\n0.426157 0.665865 0.358878 K\n0.070806 0.356799 0.139953 K\n0.426157 0.834136 0.858878 K\n0.929194 0.856799 0.360046 K\n0.361628 0.125156 0.412402 Na\n0.638371 0.874845 0.587597 Na\n0.638371 0.625156 0.087597 Na\n0.361629 0.374845 0.912402 Na\n0.857068 0.368565 0.406354 Tl\n0.857068 0.131435 0.906354 Tl\n0.142932 0.868565 0.093646 Tl\n0.142932 0.631436 0.593645 Tl\n0.242631 0.492061 0.746075 O\n0.722755 0.115726 0.468401 O\n0.722755 0.384275 0.968401 O\n0.277245 0.615726 0.031599 O\n0.794207 0.900111 0.035865 O\n0.205793 0.099890 0.964134 O\n0.205793 0.400110 0.464134 O\n0.242631 0.007939 0.246075 O\n0.757369 0.507939 0.253925 O\n0.757369 0.992062 0.753924 O\n0.277245 0.884275 0.531599 O\n0.794207 0.599890 0.535865 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.41799052469031,
"density_atomic": 0.05267456179087671,
"volume": 531.5658839491215,
"volume_molar": 11.432730629840838,
"formula_full": "K8 Na4 Tl4 O12",
"formula_reduced": "K2NaTlO3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 14
},
{
"id": "jvasp-29180",
"created_at": "2022-09-04T14:37:57.997375Z",
"updated_at": "2022-09-04T14:37:57.997402Z",
"structure_string": "Te4 Mo3 W1 Se4\n1.0\n3.442737 0.000000 0.000000\n-1.721368 2.981488 0.000007\n0.000000 0.000084 37.401573\nTe Mo W Se\n4 3 1 4\ndirect\n0.333317 0.666634 0.328184 Te\n0.666677 0.333352 0.422904 Te\n0.666674 0.333347 0.522358 Te\n0.333320 0.666639 0.228724 Te\n0.333315 0.666631 0.095110 Mo\n0.333343 0.666686 0.472646 Mo\n0.666651 0.333301 0.278444 Mo\n0.666694 0.333387 0.656715 W\n0.333358 0.666716 0.700578 Se\n0.666648 0.333294 0.051427 Se\n0.666645 0.333289 0.138881 Se\n0.333360 0.666721 0.612777 Se\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Mo-Se-Te-W",
"density": 5.613885484817159,
"density_atomic": 0.03125751624480126,
"volume": 383.90766259285994,
"volume_molar": 19.266216524806577,
"formula_full": "Te4 Mo3 W1 Se4",
"formula_reduced": "Te4Mo3WSe4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.5383185194444446,
"spacegroup": 156
}
]
}