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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4514",
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"results": [
{
"id": "jvasp-46959",
"created_at": "2022-09-04T14:38:02.206860Z",
"updated_at": "2022-09-04T14:38:02.206880Z",
"structure_string": "Li4 Co3 O2 F6\n1.0\n-5.021002 -0.017938 0.001793\n0.896732 5.186222 -0.036170\n-0.072901 -1.767044 -5.509315\nLi Co O F\n4 3 2 6\ndirect\n0.256893 0.974251 0.866078 Li\n0.761007 -0.003277 0.633068 Li\n0.238993 0.003277 0.366933 Li\n0.743107 0.025750 0.133923 Li\n0.501617 0.495754 0.778912 Co\n0.498383 0.504246 0.221089 Co\n0.000000 0.500000 -0.000000 Co\n0.642269 0.254955 0.937170 O\n0.357731 0.745046 0.062831 O\n0.134084 0.207013 0.687748 F\n0.872105 0.771716 0.826577 F\n0.401265 0.744937 0.564562 F\n0.598735 0.255063 0.435439 F\n0.865916 0.792987 0.312254 F\n0.127895 0.228284 0.173424 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.0510489494071455,
"density_atomic": 0.10438935325200867,
"volume": 143.692814762327,
"volume_molar": 5.768922377995594,
"formula_full": "Li4 Co3 O2 F6",
"formula_reduced": "Li4Co3(OF3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 1.2278074263333336,
"spacegroup": 2
},
{
"id": "jvasp-46799",
"created_at": "2022-09-04T14:38:02.429331Z",
"updated_at": "2022-09-04T14:38:02.429351Z",
"structure_string": "Mn5 Si4 O14\n1.0\n-5.650691 0.000951 -0.177932\n2.338566 7.113670 0.135390\n-0.420018 -3.430371 -7.311468\nMn Si O\n5 4 14\ndirect\n0.000000 0.000000 0.000000 Mn\n0.097862 0.424463 0.793397 Mn\n0.656769 0.571895 0.711880 Mn\n0.343230 0.428105 0.288120 Mn\n0.902137 0.575537 0.206603 Mn\n0.517626 0.211542 0.858421 Si\n0.758183 0.236219 0.379285 Si\n0.241816 0.763781 0.620716 Si\n0.482373 0.788458 0.141579 Si\n0.476695 0.979091 0.686872 O\n0.580950 0.640750 0.203332 O\n0.000757 0.810429 0.745031 O\n0.325422 0.585979 0.647729 O\n0.669714 0.822907 0.980734 O\n0.330285 0.177093 0.019266 O\n0.523305 0.020909 0.313128 O\n-0.000758 0.189571 0.254969 O\n0.419050 0.359250 0.796668 O\n0.165902 0.658717 0.400011 O\n0.834097 0.341283 0.599989 O\n0.812080 0.314914 0.940873 O\n0.674578 0.414021 0.352271 O\n0.187919 0.685086 0.059127 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Mn",
"Si",
"O"
],
"chemical_system": "Mn-O-Si",
"density": 3.472523805001375,
"density_atomic": 0.07871650905398066,
"volume": 292.1877542133825,
"volume_molar": 7.650416453135967,
"formula_full": "Mn5 Si4 O14",
"formula_reduced": "Mn5(Si2O7)2",
"formula_anonymous": "A4B5C14",
"energy_above_hull": 3.6372843307346328,
"spacegroup": 2
},
{
"id": "jvasp-40671",
"created_at": "2022-09-04T14:38:02.544676Z",
"updated_at": "2022-09-04T14:38:02.544693Z",
"structure_string": "Li2 Cr5 Si4 O14\n1.0\n5.586271 -0.002785 0.002059\n-2.047790 7.227802 0.011386\n-0.130092 -3.363250 7.180166\nLi Cr Si O\n2 5 4 14\ndirect\n0.230289 0.107856 0.450076 Li\n0.769711 0.892145 0.549926 Li\n0.000000 0.000000 0.000000 Cr\n0.076434 0.383870 0.810374 Cr\n0.664681 0.574772 0.710238 Cr\n0.335320 0.425229 0.289764 Cr\n0.923566 0.616131 0.189628 Cr\n0.506763 0.774081 0.143591 Si\n0.205690 0.790239 0.602859 Si\n0.794311 0.209762 0.397142 Si\n0.493237 0.225919 0.856410 Si\n0.465491 0.983696 0.723823 O\n0.597363 0.672507 0.276228 O\n0.971664 0.812859 0.730240 O\n0.294295 0.588375 0.552599 O\n0.695825 0.770841 0.986078 O\n0.304175 0.229160 0.013923 O\n0.781813 0.355740 0.954794 O\n0.028337 0.187142 0.269761 O\n0.402637 0.327494 0.723774 O\n0.534510 0.016305 0.276178 O\n0.218188 0.644261 0.045207 O\n0.884525 0.167720 0.571593 O\n0.705705 0.411626 0.447402 O\n0.115475 0.832281 0.428408 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.4927911560788854,
"density_atomic": 0.0861775419183239,
"volume": 290.09878262359973,
"volume_molar": 6.988062813055839,
"formula_full": "Li2 Cr5 Si4 O14",
"formula_reduced": "Li2Cr5(Si2O7)2",
"formula_anonymous": "A2B4C5D14",
"energy_above_hull": 3.569588016,
"spacegroup": 2
},
{
"id": "jvasp-32345",
"created_at": "2022-09-04T14:38:02.654255Z",
"updated_at": "2022-09-04T14:38:02.654275Z",
"structure_string": "Mo2 Cl8 O2\n1.0\n6.125364 0.039840 -0.294651\n-2.287157 6.631173 -1.623753\n0.210404 -0.043494 6.919508\nMo Cl O\n2 8 2\ndirect\n0.076056 0.222769 0.271746 Mo\n0.923943 0.777232 0.728256 Mo\n0.634485 0.490858 0.729888 Cl\n0.175538 0.670392 0.889912 Cl\n0.824460 0.329608 0.110089 Cl\n0.365514 0.509142 0.270113 Cl\n0.810891 0.891835 0.147394 Cl\n0.342803 0.066256 0.315196 Cl\n0.189107 0.108164 0.852607 Cl\n0.657195 0.933744 0.684805 Cl\n0.999085 0.724852 0.496446 O\n0.000914 0.275148 0.503555 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Mo-O",
"density": 2.992376318334466,
"density_atomic": 0.04260984113300236,
"volume": 281.62508192751056,
"volume_molar": 14.133215707616673,
"formula_full": "Mo2 Cl8 O2",
"formula_reduced": "MoCl4O",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4373692783333332,
"spacegroup": 2
},
{
"id": "jvasp-10084",
"created_at": "2022-09-04T14:38:02.633026Z",
"updated_at": "2022-09-04T14:38:02.633052Z",
"structure_string": "Rb8 Sn2 O8\n1.0\n6.795586 0.005210 0.057453\n2.713946 6.258800 0.018033\n1.904665 2.674371 9.628678\nRb Sn O\n8 2 8\ndirect\n0.741868 0.591603 0.164130 Rb\n0.258134 0.408397 0.835870 Rb\n0.764714 0.239397 0.967196 Rb\n0.235288 0.760603 0.032804 Rb\n0.278798 0.508041 0.440947 Rb\n0.721204 0.491959 0.559052 Rb\n0.789768 0.030109 0.376942 Rb\n0.210234 0.969891 0.623058 Rb\n0.277185 0.156066 0.247622 Sn\n0.722817 0.843934 0.752377 Sn\n0.871200 0.839677 0.904768 O\n0.128801 0.160323 0.095232 O\n0.036158 0.303208 0.374252 O\n0.963844 0.696792 0.625748 O\n0.466589 0.336383 0.188675 O\n0.533413 0.663617 0.811325 O\n0.454166 0.850742 0.353149 O\n0.545836 0.149258 0.646851 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"O"
],
"chemical_system": "O-Rb-Sn",
"density": 4.261688513974637,
"density_atomic": 0.04403159125715647,
"volume": 408.7973994597448,
"volume_molar": 13.676863788158505,
"formula_full": "Rb8 Sn2 O8",
"formula_reduced": "Rb4SnO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.6466306333333331,
"spacegroup": 2
},
{
"id": "jvasp-47444",
"created_at": "2022-09-04T14:38:02.931456Z",
"updated_at": "2022-09-04T14:38:02.931465Z",
"structure_string": "Li2 V1 Cr1 P2 H2 O10\n1.0\n5.118740 0.008870 -0.018283\n-0.725031 5.288531 -0.003858\n-2.350853 -2.377691 6.440414\nLi V Cr P H O\n2 1 1 2 2 10\ndirect\n0.746574 0.390553 0.822831 Li\n0.253426 0.609447 0.177168 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 Cr\n0.679496 0.366404 0.233078 P\n0.320504 0.633596 0.766921 P\n0.364698 0.071148 0.351019 H\n0.635303 0.928852 0.648980 H\n0.687432 0.665308 0.336353 O\n0.628626 0.753006 0.931703 O\n0.107814 0.654548 0.879924 O\n0.892187 0.345452 0.120076 O\n0.835876 0.040526 0.719919 O\n0.312569 0.334692 0.663647 O\n0.736613 0.216960 0.390474 O\n0.263388 0.783040 0.609525 O\n0.371375 0.246994 0.068297 O\n0.164125 0.959474 0.280081 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Li",
"V",
"Cr",
"P",
"H",
"O"
],
"chemical_system": "Cr-H-Li-O-P-V",
"density": 3.250620594993738,
"density_atomic": 0.10339973121223262,
"volume": 174.08169043548273,
"volume_molar": 5.8241357974512376,
"formula_full": "Li2 V1 Cr1 P2 H2 O10",
"formula_reduced": "Li2VCrP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy_above_hull": 3.0729537555555555,
"spacegroup": 2
},
{
"id": "jvasp-10719",
"created_at": "2022-09-04T14:38:03.266038Z",
"updated_at": "2022-09-04T14:38:03.266064Z",
"structure_string": "Tb2 Cu1 Ge4 O12\n1.0\n-4.955198 0.022558 0.011979\n1.628237 7.091567 -0.042566\n-0.408300 -3.169023 -7.317357\nTb Cu Ge O\n2 1 4 12\ndirect\n0.949821 0.767956 0.546860 Tb\n0.050179 0.232045 0.453140 Tb\n0.000000 0.000000 0.000000 Cu\n0.460221 0.833240 0.222588 Ge\n0.539779 0.166761 0.777412 Ge\n0.417938 0.617236 0.796283 Ge\n0.582062 0.382766 0.203718 Ge\n0.250361 0.988586 0.798519 O\n0.749809 0.771592 0.809733 O\n0.250191 0.228409 0.190267 O\n0.260017 0.690664 0.011207 O\n0.407462 0.342077 0.711405 O\n0.220295 0.578325 0.603987 O\n0.779705 0.421676 0.396014 O\n0.749639 0.011416 0.201482 O\n0.772942 0.065288 0.611191 O\n0.227058 0.934713 0.388810 O\n0.592538 0.657924 0.288596 O\n0.739983 0.309337 0.988794 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Tb",
"Cu",
"Ge",
"O"
],
"chemical_system": "Cu-Ge-O-Tb",
"density": 5.559618127430817,
"density_atomic": 0.07363106940733444,
"volume": 258.0432438769849,
"volume_molar": 8.178803877864269,
"formula_full": "Tb2 Cu1 Ge4 O12",
"formula_reduced": "Tb2Cu(GeO3)4",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.177768581578947,
"spacegroup": 2
},
{
"id": "jvasp-45174",
"created_at": "2022-09-04T14:38:03.269041Z",
"updated_at": "2022-09-04T14:38:03.269067Z",
"structure_string": "Li5 Fe2 Cu3 O10\n1.0\n5.003388 0.109841 0.075073\n-1.364860 5.034597 -0.118012\n-1.763592 -2.302646 6.959572\nLi Fe Cu O\n5 2 3 10\ndirect\n0.206423 0.909805 0.399862 Li\n0.401094 0.282149 0.789297 Li\n0.500000 0.500000 0.500000 Li\n0.598907 0.717850 0.210703 Li\n0.793578 0.090194 0.600137 Li\n0.100068 0.677814 0.688786 Fe\n0.899933 0.322185 0.311213 Fe\n0.697333 0.884970 0.897474 Cu\n0.302667 0.115029 0.102525 Cu\n0.000000 0.500000 0.000000 Cu\n0.661747 0.339376 0.077117 O\n0.060802 0.017333 0.831057 O\n0.338253 0.660623 0.922882 O\n0.133704 0.325368 0.542811 O\n0.209948 0.528164 0.252304 O\n0.439028 0.874598 0.658977 O\n0.560972 0.125402 0.341022 O\n0.790052 0.471836 0.747696 O\n0.866297 0.674632 0.457188 O\n0.939198 0.982667 0.168942 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.691495794984174,
"density_atomic": 0.11368737739441268,
"volume": 175.92102534492037,
"volume_molar": 5.29710588635319,
"formula_full": "Li5 Fe2 Cu3 O10",
"formula_reduced": "Li5Fe2Cu3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.0211498675,
"spacegroup": 2
},
{
"id": "jvasp-10098",
"created_at": "2022-09-04T14:38:03.283901Z",
"updated_at": "2022-09-04T14:38:03.283936Z",
"structure_string": "Cd4 B4 O10\n1.0\n3.476990 -0.031165 0.016989\n-0.199045 6.395923 0.022198\n-0.158152 -2.683768 9.681674\nCd B O\n4 4 10\ndirect\n0.752995 0.219619 0.875733 Cd\n0.247004 0.780379 0.124267 Cd\n0.775437 0.654645 0.407176 Cd\n0.224562 0.345354 0.592824 Cd\n0.684566 0.127733 0.319798 B\n0.315433 0.872265 0.680202 B\n0.666384 0.672660 0.844233 B\n0.333615 0.327338 0.155767 B\n0.741150 0.712322 0.982069 O\n0.258849 0.287676 0.017931 O\n0.812960 0.924129 0.303281 O\n0.187039 0.075869 0.696719 O\n0.486519 0.155945 0.201631 O\n0.269760 0.703801 0.563625 O\n0.513480 0.844054 0.798369 O\n0.278810 0.524725 0.246822 O\n0.730239 0.296197 0.436375 O\n0.721189 0.475273 0.753178 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cd",
"B",
"O"
],
"chemical_system": "B-Cd-O",
"density": 5.031262100553075,
"density_atomic": 0.08353445713745855,
"volume": 215.47994225162006,
"volume_molar": 7.209169684421818,
"formula_full": "Cd4 B4 O10",
"formula_reduced": "Cd2B2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.040262462962963,
"spacegroup": 2
},
{
"id": "jvasp-45798",
"created_at": "2022-09-04T14:38:03.379815Z",
"updated_at": "2022-09-04T14:38:03.379836Z",
"structure_string": "Li3 Mn3 Fe2 O10\n1.0\n4.951991 -0.016887 0.021820\n0.789052 4.977116 -0.024929\n2.386367 1.997711 6.787453\nLi Mn Fe O\n3 3 2 10\ndirect\n0.221515 0.501213 0.572683 Li\n0.500000 -0.000000 0.500000 Li\n0.778486 0.498788 0.427316 Li\n-0.000000 0.500000 -0.000000 Mn\n0.686767 0.005775 0.108370 Mn\n0.313233 0.994225 0.891630 Mn\n0.105907 -0.000282 0.310571 Fe\n0.894094 0.000281 0.689429 Fe\n0.875212 0.775508 0.538226 O\n0.784481 0.237370 0.236871 O\n0.547388 0.211608 0.662677 O\n0.452612 0.788392 0.337322 O\n0.036078 0.778570 0.140442 O\n0.124789 0.224492 0.461773 O\n0.346080 0.213836 0.055877 O\n0.653921 0.786165 0.944122 O\n0.215519 0.762630 0.763128 O\n0.963922 0.221430 0.859557 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.5364058908879965,
"density_atomic": 0.10752613629359326,
"volume": 167.4011605034533,
"volume_molar": 5.600629732995267,
"formula_full": "Li3 Mn3 Fe2 O10",
"formula_reduced": "Li3Mn3(FeO5)2",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.0957293180076624,
"spacegroup": 2
},
{
"id": "jvasp-46794",
"created_at": "2022-09-04T14:38:03.435017Z",
"updated_at": "2022-09-04T14:38:03.435040Z",
"structure_string": "Li6 Mn6 O12\n1.0\n5.115973 -0.007385 0.045835\n-0.079761 5.783444 0.002817\n-0.364380 -0.128068 7.162496\nLi Mn O\n6 6 12\ndirect\n0.409391 0.126861 0.176013 Li\n0.590609 0.873138 0.823989 Li\n0.912792 0.370827 0.167488 Li\n0.245289 0.880264 0.507928 Li\n0.087208 0.629172 0.832514 Li\n0.754711 0.119734 0.492074 Li\n0.083474 0.114654 0.832393 Mn\n0.242772 0.366622 0.494683 Mn\n0.757228 0.633376 0.505318 Mn\n0.591297 0.376946 0.837270 Mn\n0.408703 0.623052 0.162732 Mn\n0.916526 0.885344 0.167608 Mn\n0.084094 0.130240 0.336356 O\n0.266322 0.377520 0.996757 O\n0.233561 0.867463 0.015662 O\n0.733678 0.622478 0.003245 O\n0.766439 0.132536 0.984340 O\n0.397571 0.139189 0.675467 O\n0.433401 0.606291 0.661655 O\n0.915430 0.380232 0.661418 O\n0.915905 0.869759 0.663646 O\n0.566598 0.393708 0.338346 O\n0.602429 0.860809 0.324535 O\n0.084570 0.619766 0.338584 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.4115405540691714,
"density_atomic": 0.11319781869400133,
"volume": 212.01821975807937,
"volume_molar": 5.320014846115696,
"formula_full": "Li6 Mn6 O12",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9339485603448276,
"spacegroup": 2
},
{
"id": "jvasp-5446",
"created_at": "2022-09-04T14:38:03.665880Z",
"updated_at": "2022-09-04T14:38:03.665907Z",
"structure_string": "Sb2 S16 Cl6\n1.0\n8.067086 -0.153858 0.024194\n-3.052966 7.976211 0.175391\n-3.261653 -2.143705 9.827920\nSb S Cl\n2 16 6\ndirect\n0.811920 0.076941 0.845582 Sb\n0.188080 0.923058 0.154417 Sb\n0.161734 0.236182 0.649668 S\n0.838266 0.763817 0.350332 S\n0.348226 0.490025 0.740962 S\n0.651774 0.509974 0.259038 S\n0.288951 0.549401 0.909669 S\n0.711049 0.450598 0.090331 S\n0.885477 0.319471 0.140594 S\n0.114523 0.680528 0.859406 S\n0.936526 0.235562 0.490840 S\n0.291449 0.802779 0.443634 S\n0.708551 0.197220 0.556366 S\n0.299312 0.568976 0.389480 S\n0.700688 0.431023 0.610520 S\n0.166711 0.493591 0.182267 S\n0.833289 0.506408 0.817733 S\n0.063474 0.764437 0.509160 S\n0.756280 0.846627 0.670866 Cl\n0.484023 0.038892 0.792723 Cl\n0.515977 0.961107 0.207277 Cl\n0.772770 0.880086 0.006740 Cl\n0.227230 0.119913 -0.006740 Cl\n0.243720 0.153372 0.329133 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.5480543263995,
"density_atomic": 0.0379946520763065,
"volume": 631.6678450377606,
"volume_molar": 15.849969484930257,
"formula_full": "Sb2 S16 Cl6",
"formula_reduced": "SbS8Cl3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.709259858541667,
"spacegroup": 2
}
]
}