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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=898",
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"results": [
{
"id": "jvasp-48174",
"created_at": "2022-09-04T14:36:18.277631Z",
"updated_at": "2022-09-04T14:36:18.277655Z",
"structure_string": "Li4 Mn8 O4 F12\n1.0\n-3.052573 6.360333 4.401614\n3.052573 -6.360333 4.401614\n6.104457 -0.000352 0.000000\nLi Mn O F\n4 8 4 12\ndirect\n0.755417 0.532716 0.111345 Li\n0.032716 0.255418 0.388655 Li\n0.984599 0.744757 0.619928 Li\n0.244757 0.484599 0.880073 Li\n0.983776 0.985424 0.999187 Mn\n0.380663 0.116717 0.389189 Mn\n0.616717 0.880663 0.110811 Mn\n0.216269 0.716269 0.250000 Mn\n0.485425 0.483776 0.500814 Mn\n0.786559 0.286559 0.750001 Mn\n0.380674 0.116706 0.874771 Mn\n0.616706 0.880673 0.625230 Mn\n0.460201 0.960201 0.250000 O\n0.545047 0.045047 0.750001 O\n0.281703 0.239193 0.521249 O\n0.739193 0.781703 0.978752 O\n0.889035 0.135809 0.124154 F\n0.988971 0.488971 0.250000 F\n0.635809 0.389035 0.375846 F\n0.367056 0.615476 0.130241 F\n0.889006 0.135837 0.629051 F\n0.728285 0.741604 0.493356 F\n0.115476 0.867055 0.369759 F\n0.367076 0.615427 0.621354 F\n0.635837 0.389006 0.870950 F\n0.015983 0.515983 0.750000 F\n0.241604 0.228286 0.006644 F\n0.115428 0.867075 0.878647 F\n",
"nsites": 28,
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"elements": [
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"Mn",
"O",
"F"
],
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"density": 3.6887161980568473,
"density_atomic": 0.08192212469524156,
"volume": 341.7880103105575,
"volume_molar": 7.351055386323246,
"formula_full": "Li4 Mn8 O4 F12",
"formula_reduced": "LiMn2OF3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 44
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{
"id": "jvasp-99661",
"created_at": "2022-09-04T14:36:19.273966Z",
"updated_at": "2022-09-04T14:36:19.273993Z",
"structure_string": "Ce1 Pt2 Au3\n1.0\n4.757645 -0.005548 -2.665709\n-1.601771 4.449866 -2.715557\n-0.003938 0.005548 5.453547\nCe Pt Au\n1 2 3\ndirect\n0.007499 0.007499 0.000000 Ce\n0.124479 0.373953 0.750526 Pt\n0.623428 0.373953 0.249475 Pt\n0.623032 0.871948 0.248917 Au\n0.623031 0.374115 0.751084 Au\n0.248535 0.748535 0.500001 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Pt",
"Au"
],
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"density": 16.125283296586943,
"density_atomic": 0.05196760810963983,
"volume": 115.45653568163777,
"volume_molar": 11.588258492279753,
"formula_full": "Ce1 Pt2 Au3",
"formula_reduced": "CePt2Au3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.508871835,
"spacegroup": 44
},
{
"id": "jvasp-105817",
"created_at": "2022-09-04T14:36:19.833868Z",
"updated_at": "2022-09-04T14:36:19.833897Z",
"structure_string": "Mg1 Ge3\n1.0\n3.871754 0.032621 -4.536476\n-0.419170 3.541322 -4.780636\n-0.019355 -0.032621 5.964035\nMg Ge\n1 3\ndirect\n0.213880 0.500000 0.713879 Mg\n0.731006 0.773933 0.957071 Ge\n0.183140 0.226067 0.957073 Ge\n0.705300 -0.000000 0.705300 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg",
"density": 4.97300794427961,
"density_atomic": 0.04945509976492845,
"volume": 80.88144638293981,
"volume_molar": 12.17698637476141,
"formula_full": "Mg1 Ge3",
"formula_reduced": "MgGe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5978216649999999,
"spacegroup": 44
},
{
"id": "jvasp-96887",
"created_at": "2022-09-04T14:36:20.926823Z",
"updated_at": "2022-09-04T14:36:20.926843Z",
"structure_string": "Na2 Ge2 Au2\n1.0\n4.112563 -0.000000 1.741044\n1.962038 5.278667 1.093137\n-0.003733 0.032189 5.736534\nNa Ge Au\n2 2 2\ndirect\n0.282917 0.217083 0.217083 Na\n0.405648 0.594353 0.594352 Na\n0.676949 0.001284 0.644817 Ge\n0.676948 0.644819 0.001284 Ge\n-0.000161 0.205820 0.794502 Au\n-0.000161 0.794503 0.205820 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-Na",
"density": 7.803027275500117,
"density_atomic": 0.048179955599907856,
"volume": 124.53311600834009,
"volume_molar": 12.499265898060555,
"formula_full": "Na2 Ge2 Au2",
"formula_reduced": "NaGeAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.04030084,
"spacegroup": 44
},
{
"id": "jvasp-99614",
"created_at": "2022-09-04T14:36:21.087042Z",
"updated_at": "2022-09-04T14:36:21.087068Z",
"structure_string": "Sm2 Si3 Pt1\n1.0\n4.043135 -0.003249 -6.610192\n-0.306928 3.908168 -6.683832\n0.007668 0.003249 7.748647\nSm Si Pt\n2 3 1\ndirect\n0.128386 0.128385 0.000000 Sm\n0.371725 0.871725 0.500001 Sm\n0.705227 0.705227 0.000001 Si\n0.540351 0.540351 0.000001 Si\n0.794649 0.294648 0.500002 Si\n0.959665 0.459664 0.500002 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Sm",
"density": 7.848661177274166,
"density_atomic": 0.04889049580527518,
"volume": 122.7232389685157,
"volume_molar": 12.317610326525314,
"formula_full": "Sm2 Si3 Pt1",
"formula_reduced": "Sm2Si3Pt",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.634249158333333,
"spacegroup": 44
},
{
"id": "jvasp-8782",
"created_at": "2022-09-04T14:36:30.736890Z",
"updated_at": "2022-09-04T14:36:30.736904Z",
"structure_string": "Sr1 Ru2 O6\n1.0\n5.433961 0.000681 0.005421\n-2.715939 4.706550 -0.005421\n-2.712299 -1.572207 4.438419\nSr Ru O\n1 2 6\ndirect\n-0.001123 0.750000 0.748878 Sr\n0.497984 0.000118 0.498103 Ru\n0.497984 0.499881 0.997868 Ru\n0.997838 0.267215 0.767806 O\n0.500589 0.769967 0.767806 O\n0.457202 0.250000 0.707202 O\n0.532092 0.750000 0.282093 O\n0.500589 0.232784 0.230622 O\n0.997838 0.730032 0.230622 O\n",
"nsites": 9,
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"elements": [
"Sr",
"Ru",
"O"
],
"chemical_system": "O-Ru-Sr",
"density": 5.640365092267772,
"density_atomic": 0.07924784989088629,
"volume": 113.5677499439013,
"volume_molar": 7.599121955096175,
"formula_full": "Sr1 Ru2 O6",
"formula_reduced": "Sr(RuO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.841788701111112,
"spacegroup": 44
},
{
"id": "jvasp-100060",
"created_at": "2022-09-04T14:36:31.848418Z",
"updated_at": "2022-09-04T14:36:31.848433Z",
"structure_string": "Li1 Ni1 O2\n1.0\n3.036066 -0.032880 -4.441668\n-0.155885 2.586668 -4.715086\n-0.053226 0.032880 5.379896\nLi Ni O\n1 1 2\ndirect\n0.771358 0.271358 0.500001 Li\n0.507528 0.007528 0.500000 Ni\n0.384273 0.384273 0.000001 O\n0.629844 0.629842 0.000001 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 3.851284707852083,
"density_atomic": 0.09502086841580822,
"volume": 42.09601602982758,
"volume_molar": 6.337703349170951,
"formula_full": "Li1 Ni1 O2",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.28668235,
"spacegroup": 44
},
{
"id": "jvasp-100061",
"created_at": "2022-09-04T14:36:32.104172Z",
"updated_at": "2022-09-04T14:36:32.104194Z",
"structure_string": "Tl3 V1 O4\n1.0\n5.449821 -0.022329 -2.584669\n-1.809261 4.829460 -3.128011\n-0.041086 0.022329 6.031532\nTl V O\n3 1 4\ndirect\n0.767793 0.233673 0.534119 Tl\n0.042374 -0.000000 0.042374 Tl\n0.300446 0.766327 0.534120 Tl\n0.507959 0.500000 0.007959 V\n0.832236 0.672335 0.159901 O\n0.487566 0.327665 0.159901 O\n0.356311 0.256069 0.612381 O\n0.356312 0.743931 0.100243 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"V",
"O"
],
"chemical_system": "O-Tl-V",
"density": 7.629152117351121,
"density_atomic": 0.050481551509244264,
"volume": 158.47373467780653,
"volume_molar": 11.92938921240805,
"formula_full": "Tl3 V1 O4",
"formula_reduced": "Tl3VO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.55064825,
"spacegroup": 44
},
{
"id": "jvasp-100640",
"created_at": "2022-09-04T14:36:32.340446Z",
"updated_at": "2022-09-04T14:36:32.340472Z",
"structure_string": "Ta2 In1 S4\n1.0\n5.469224 0.002661 -6.746296\n-0.227722 3.297445 -8.031185\n-0.004094 -0.002661 8.684751\nTa In S\n2 1 4\ndirect\n0.746773 0.750388 0.996387 Ta\n0.246000 0.249614 0.996387 Ta\n0.518530 0.500001 0.018530 In\n0.482013 0.152905 0.329108 S\n0.983315 0.652290 0.331026 S\n0.678736 0.347711 0.331026 S\n0.176205 0.847097 0.329110 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ta",
"In",
"S"
],
"chemical_system": "In-S-Ta",
"density": 6.42241697533231,
"density_atomic": 0.044751840709192615,
"volume": 156.41814703192998,
"volume_molar": 13.456744269209405,
"formula_full": "Ta2 In1 S4",
"formula_reduced": "Ta2InS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1939983385714283,
"spacegroup": 44
},
{
"id": "jvasp-100641",
"created_at": "2022-09-04T14:36:32.632718Z",
"updated_at": "2022-09-04T14:36:32.632749Z",
"structure_string": "Sm1 Y1 Co2 Ni2\n1.0\n4.417512 0.007778 -2.551018\n-1.406852 4.112327 -2.670525\n0.005371 -0.007778 5.101184\nSm Y Co Ni\n1 1 2 2\ndirect\n0.747195 0.247196 0.499999 Sm\n0.002771 0.002771 -0.000000 Y\n0.374839 0.124665 0.749825 Co\n0.374840 0.625014 0.250174 Co\n0.374374 0.625178 0.749196 Ni\n0.875981 0.625178 0.250803 Ni\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sm",
"Y",
"Co",
"Ni"
],
"chemical_system": "Co-Ni-Sm-Y",
"density": 8.5035854494425,
"density_atomic": 0.06475161278113638,
"volume": 92.66178466133799,
"volume_molar": 9.300371838389772,
"formula_full": "Sm1 Y1 Co2 Ni2",
"formula_reduced": "SmY(CoNi)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.366880154166666,
"spacegroup": 44
},
{
"id": "jvasp-48345",
"created_at": "2022-09-04T14:36:32.683389Z",
"updated_at": "2022-09-04T14:36:32.683416Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.769979 0.001550 -0.021288\n-0.001544 5.886689 -0.000157\n-2.868351 -2.944031 4.223167\nLi V Cr O\n4 2 2 8\ndirect\n0.505282 0.502348 0.010564 Li\n0.500153 -0.000135 0.499729 Li\n0.505283 0.008216 0.010565 Li\n-0.000418 -0.000131 0.499737 Li\n0.490365 0.500533 0.501068 V\n0.010702 0.500536 0.501067 V\n-0.002381 0.499223 -0.004762 Cr\n-0.002381 -0.003983 -0.004762 Cr\n0.242274 0.257563 0.015142 O\n0.237879 0.241994 0.475738 O\n0.237864 0.733745 0.475737 O\n0.230010 0.741569 0.983154 O\n0.772878 0.257589 0.015159 O\n0.759670 0.275586 0.519333 O\n0.759657 0.743749 0.519333 O\n0.753149 0.741596 0.983172 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.196944732457347,
"density_atomic": 0.11182383954417187,
"volume": 143.08219128605214,
"volume_molar": 5.385381851086572,
"formula_full": "Li4 V2 Cr2 O8",
"formula_reduced": "Li2VCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.64810695,
"spacegroup": 44
},
{
"id": "jvasp-101373",
"created_at": "2022-09-04T14:36:33.693391Z",
"updated_at": "2022-09-04T14:36:33.693415Z",
"structure_string": "Ho10 Si17\n1.0\n6.382073 -0.000000 -2.038943\n-0.992064 7.567335 -3.105250\n-0.005006 0.024101 10.992032\nHo Si\n10 17\ndirect\n0.564147 0.051937 0.600033 Ho\n0.761101 0.755203 0.000000 Ho\n0.564147 0.548095 0.600033 Ho\n0.368423 0.847962 0.200757 Ho\n0.964115 0.948062 0.399967 Ho\n0.761101 0.244796 0.000000 Ho\n0.964115 0.451904 0.399967 Ho\n0.167665 0.152038 0.799243 Ho\n0.368422 0.352794 0.200757 Ho\n0.167665 0.647205 0.799243 Ho\n0.431330 -0.000000 0.000000 Si\n0.242353 0.284670 0.569340 Si\n0.388268 0.500000 0.000000 Si\n0.080073 -0.000000 0.000000 Si\n0.702384 0.600277 0.200554 Si\n0.673013 0.715330 0.430660 Si\n0.296717 0.699542 0.399084 Si\n0.897632 0.300457 0.600915 Si\n0.714860 0.104407 0.208813 Si\n0.845377 0.878217 0.756436 Si\n0.501830 0.399723 0.799446 Si\n0.039462 0.581790 0.163580 Si\n0.177924 0.801001 0.602003 Si\n0.088941 0.121782 0.243564 Si\n0.506047 0.895593 0.791186 Si\n0.575921 0.198998 0.397997 Si\n0.875880 0.418210 0.836420 Si\n",
"nsites": 27,
"nelements": 2,
"elements": [
"Ho",
"Si"
],
"chemical_system": "Ho-Si",
"density": 6.646865803798916,
"density_atomic": 0.05081755522024664,
"volume": 531.3124545834646,
"volume_molar": 11.850512552010118,
"formula_full": "Ho10 Si17",
"formula_reduced": "Ho10Si17",
"formula_anonymous": "A10B17",
"energy_above_hull": 3.169431550617284,
"spacegroup": 44
}
]
}