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=spacegroup&page=226",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=224",
"results": [
{
"id": "jvasp-113076",
"created_at": "2022-09-04T14:38:44.993954Z",
"updated_at": "2022-09-04T14:38:44.993976Z",
"structure_string": "Na1 Ca1 Mg1 Al1 Si4 O12\n1.0\n6.349267 0.012582 1.418645\n0.296288 6.342362 1.418645\n-0.017223 -0.016470 5.281143\nNa Ca Mg Al Si O\n1 1 1 1 4 12\ndirect\n0.300250 0.699750 0.499999 Na\n0.696305 0.303695 -0.000001 Ca\n0.910882 0.089118 0.499999 Mg\n0.096572 0.903428 -0.000001 Al\n0.806401 0.621289 0.472014 Si\n0.378711 0.193600 0.527984 Si\n0.195047 0.385482 0.016755 Si\n0.614519 0.804953 0.983242 Si\n0.375405 0.340822 0.752426 O\n0.659179 0.624596 0.247572 O\n0.806376 0.966586 0.903159 O\n0.033413 0.193625 0.096838 O\n0.193026 0.026401 0.637418 O\n0.614230 0.103909 0.435501 O\n0.375826 0.896885 0.057948 O\n0.103115 0.624174 0.942049 O\n0.333061 0.361994 0.252976 O\n0.896092 0.385771 0.564497 O\n0.973600 0.806974 0.362579 O\n0.638007 0.666939 0.747021 O\n",
"nsites": 20,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Mg",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-Mg-Na-O-Si",
"density": 3.264932022493813,
"density_atomic": 0.09392114505982908,
"volume": 212.94459290567337,
"volume_molar": 6.411911562794313,
"formula_full": "Na1 Ca1 Mg1 Al1 Si4 O12",
"formula_reduced": "NaCaMgAl(SiO3)4",
"formula_anonymous": "ABCDE4F12",
"energy_above_hull": 2.4487703835,
"spacegroup": 5
},
{
"id": "jvasp-116776",
"created_at": "2022-09-04T14:38:45.186728Z",
"updated_at": "2022-09-04T14:38:45.186755Z",
"structure_string": "Li3 V4 Fe1 O12\n1.0\n5.357222 0.070817 1.590462\n-1.579238 6.233097 -1.489692\n-0.021192 0.070764 6.600048\nLi V Fe O\n3 4 1 12\ndirect\n0.749979 0.088279 0.088286 Li\n0.249996 0.288751 0.288753 Li\n0.750019 0.720656 0.720645 Li\n0.722659 0.180376 0.623707 V\n0.777342 0.623704 0.180372 V\n0.209644 0.388490 0.826162 V\n0.290352 0.826163 0.388495 V\n0.250000 0.931936 0.931936 Fe\n0.443219 0.590554 0.301693 O\n0.056785 0.301693 0.590557 O\n0.949711 0.670181 0.378582 O\n0.550293 0.378591 0.670183 O\n0.308469 0.000006 0.213579 O\n0.881006 0.813091 0.008778 O\n0.825395 0.389529 0.018808 O\n0.674604 0.018816 0.389535 O\n0.294693 0.656012 0.910836 O\n0.618990 0.008768 0.813082 O\n0.191547 0.213587 0.000004 O\n0.205295 0.910823 0.656014 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 3.538061773327133,
"density_atomic": 0.09020108945518907,
"volume": 221.7268119575849,
"volume_molar": 6.676350359373139,
"formula_full": "Li3 V4 Fe1 O12",
"formula_reduced": "Li3V4FeO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.161245715,
"spacegroup": 5
},
{
"id": "jvasp-113227",
"created_at": "2022-09-04T14:38:45.586242Z",
"updated_at": "2022-09-04T14:38:45.586267Z",
"structure_string": "Ti1 V4 Fe1 O12\n1.0\n6.516515 0.030538 1.737328\n0.247126 6.511899 1.737328\n0.003991 0.003860 5.708621\nTi V Fe O\n1 4 1 12\ndirect\n0.088926 0.911074 0.500000 Ti\n0.799851 0.610740 0.005279 V\n0.610620 0.796546 0.510957 V\n0.389260 0.200149 -0.005278 V\n0.203455 0.389380 0.489043 V\n0.909971 0.090028 0.000000 Fe\n0.183974 0.030564 0.124862 O\n0.375282 0.335536 0.687255 O\n0.364135 0.911921 0.517800 O\n0.346146 0.380823 0.185908 O\n0.664464 0.624718 0.312746 O\n0.811868 0.966357 0.395669 O\n0.619177 0.653854 0.814092 O\n0.088079 0.635866 0.482201 O\n0.915340 0.373628 0.015513 O\n0.969435 0.816026 0.875139 O\n0.626372 0.084659 0.984488 O\n0.033644 0.188132 0.604331 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti-V",
"density": 3.425612034854989,
"density_atomic": 0.0743449510288021,
"volume": 242.11462582074458,
"volume_molar": 8.100268648595858,
"formula_full": "Ti1 V4 Fe1 O12",
"formula_reduced": "TiV4FeO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.608945146296296,
"spacegroup": 5
},
{
"id": "jvasp-112163",
"created_at": "2022-09-04T14:38:45.772730Z",
"updated_at": "2022-09-04T14:38:45.772757Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.699509 0.005965 1.263975\n1.878135 4.668641 0.532216\n0.026454 0.013021 5.972551\nCd H C O\n1 2 3 4\ndirect\n0.382450 0.739060 0.499778 Cd\n0.335996 0.054255 0.946244 H\n0.098217 0.423452 0.052987 H\n0.894032 0.322940 0.792790 C\n0.770718 0.155372 0.206435 C\n0.060241 0.238975 0.999603 C\n0.460183 0.347787 0.326821 O\n0.849604 0.887045 0.243167 O\n0.741657 0.591340 0.756034 O\n0.895938 0.130806 0.672398 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.459484361325839,
"density_atomic": 0.09714554707588134,
"volume": 102.9383260582073,
"volume_molar": 6.199090891213003,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.624824375,
"spacegroup": 5
},
{
"id": "jvasp-116853",
"created_at": "2022-09-04T14:38:45.969075Z",
"updated_at": "2022-09-04T14:38:45.969093Z",
"structure_string": "Li5 Co7 O12\n1.0\n4.938340 -0.003710 0.438748\n-2.542965 4.233266 0.438748\n0.050090 0.088445 9.546659\nLi Co O\n5 7 12\ndirect\n0.838256 0.671957 0.759339 Li\n0.676231 0.834883 0.240801 Li\n0.328042 0.161744 0.240661 Li\n0.165117 0.323770 0.759199 Li\n0.085074 0.914928 0.000000 Li\n0.422609 0.577393 0.000000 Co\n0.578033 0.421967 0.500000 Co\n0.485025 0.998533 0.759293 Co\n0.245759 0.754242 0.500000 Co\n0.001467 0.514976 0.240708 Co\n0.912349 0.087650 0.500000 Co\n0.754025 0.245976 0.000000 Co\n0.211792 0.047917 0.609701 O\n0.046639 0.226699 0.116146 O\n0.773302 0.953361 0.883854 O\n0.862314 0.371805 0.610833 O\n0.628195 0.137685 0.389168 O\n0.701643 0.517163 0.116400 O\n0.482837 0.298357 0.883601 O\n0.538738 0.721031 0.608422 O\n0.278970 0.461262 0.391579 O\n0.392489 0.860980 0.117424 O\n0.139021 0.607512 0.882577 O\n0.952083 0.788208 0.390299 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 5.331261598426267,
"density_atomic": 0.12054102403706406,
"volume": 199.10234040006546,
"volume_molar": 4.995926331394287,
"formula_full": "Li5 Co7 O12",
"formula_reduced": "Li5Co7O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.8818932625,
"spacegroup": 5
},
{
"id": "jvasp-116838",
"created_at": "2022-09-04T14:38:46.070123Z",
"updated_at": "2022-09-04T14:38:46.070153Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.464102 0.043994 1.753722\n0.265945 6.458778 1.753722\n0.007665 0.007406 5.591682\nTi Mn V O\n1 1 4 12\ndirect\n0.086290 0.913710 0.499999 Ti\n0.915645 0.084354 -0.000000 Mn\n0.803102 0.604437 0.009932 V\n0.610818 0.801119 0.509490 V\n0.395563 0.196898 -0.009933 V\n0.198881 0.389183 0.490509 V\n0.182403 0.028003 0.108469 O\n0.383575 0.332777 0.675712 O\n0.365101 0.922332 0.497290 O\n0.333970 0.387101 0.176479 O\n0.667223 0.616425 0.324287 O\n0.817599 0.971089 0.373461 O\n0.612899 0.666030 0.823520 O\n0.077669 0.634900 0.502709 O\n0.905761 0.357405 0.025148 O\n0.971997 0.817597 0.891530 O\n0.642594 0.094240 0.974852 O\n0.028910 0.182402 0.626538 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5497759819491352,
"density_atomic": 0.07717978656650158,
"volume": 233.221686671683,
"volume_molar": 7.8027434745638375,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.665244687484035,
"spacegroup": 5
},
{
"id": "jvasp-117001",
"created_at": "2022-09-04T14:38:47.035959Z",
"updated_at": "2022-09-04T14:38:47.035983Z",
"structure_string": "Tb2 In2 Ge4 O14\n1.0\n5.642382 0.028986 0.676397\n-1.541286 5.427867 0.676397\n-0.026013 -0.034612 9.843209\nTb In Ge O\n2 2 4 14\ndirect\n0.709269 0.290720 0.249993 Tb\n0.709281 0.290732 0.750008 Tb\n0.315490 0.684498 0.250008 In\n0.315503 0.684511 0.749992 In\n0.772441 0.772093 0.957769 Ge\n0.227908 0.227559 0.042231 Ge\n0.227904 0.227577 0.542233 Ge\n0.772423 0.772097 0.457768 Ge\n0.387472 0.057499 0.140958 O\n0.942502 0.612529 0.859043 O\n0.940445 0.059556 0.500000 O\n0.940442 0.059559 0.000000 O\n0.942471 0.612573 0.359000 O\n0.387428 0.057530 0.641000 O\n0.406590 0.384641 0.384551 O\n0.581448 0.898839 0.856837 O\n0.615360 0.593411 0.615449 O\n0.101160 0.418633 0.643121 O\n0.406581 0.384648 0.884553 O\n0.615352 0.593420 0.115448 O\n0.101162 0.418552 0.143164 O\n0.581367 0.898841 0.356880 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tb",
"In",
"Ge",
"O"
],
"chemical_system": "Ge-In-O-Tb",
"density": 5.836458484677109,
"density_atomic": 0.07280862093475358,
"volume": 302.1620203425497,
"volume_molar": 8.271191903767352,
"formula_full": "Tb2 In2 Ge4 O14",
"formula_reduced": "TbInGe2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 1.930096797272727,
"spacegroup": 5
},
{
"id": "jvasp-113067",
"created_at": "2022-09-04T14:38:46.492394Z",
"updated_at": "2022-09-04T14:38:46.492422Z",
"structure_string": "Pr4 U2 Te10\n1.0\n9.889750 0.018745 0.128928\n7.901108 5.948109 0.128928\n-0.017073 -0.005726 8.953247\nPr U Te\n4 2 10\ndirect\n0.249575 0.252360 0.267761 Pr\n0.580707 0.595717 0.259545 Pr\n0.747641 0.750424 0.732240 Pr\n0.404284 0.419293 0.740455 Pr\n0.933521 0.901745 0.262581 U\n0.098255 0.066480 0.737420 U\n0.244630 0.247761 0.636491 Te\n0.913948 0.921960 0.628933 Te\n0.592557 0.573123 0.636101 Te\n0.752239 0.755370 0.363510 Te\n0.426877 0.407444 0.363900 Te\n0.078039 0.086053 0.371068 Te\n0.420030 0.944746 0.997511 Te\n0.055254 0.579971 0.002490 Te\n0.753090 0.246910 0.000000 Te\n0.249374 0.750626 0.000000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pr",
"U",
"Te"
],
"chemical_system": "Pr-Te-U",
"density": 7.3192610318470095,
"density_atomic": 0.03045495746492376,
"volume": 525.3660268095224,
"volume_molar": 19.773926024805487,
"formula_full": "Pr4 U2 Te10",
"formula_reduced": "Pr2UTe5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8781955666666668,
"spacegroup": 5
},
{
"id": "jvasp-112983",
"created_at": "2022-09-04T14:38:46.217241Z",
"updated_at": "2022-09-04T14:38:46.217268Z",
"structure_string": "Mg4 B2 P4 O20\n1.0\n6.449753 0.026968 0.683877\n0.888793 6.388278 0.683877\n-0.043789 -0.038280 8.252881\nMg B P O\n4 2 4 20\ndirect\n0.918608 0.765144 0.331907 Mg\n0.539294 0.136044 0.343452 Mg\n0.234856 0.081391 0.668093 Mg\n0.863956 0.460706 0.656548 Mg\n0.725030 0.727545 0.976153 B\n0.272455 0.274969 0.023848 B\n0.323962 0.540751 0.741650 P\n0.459248 0.676038 0.258350 P\n0.025456 0.245944 0.322684 P\n0.754055 0.974545 0.677317 P\n0.460489 0.185314 0.097786 O\n0.301292 0.478278 0.931573 O\n0.521722 0.698708 0.068428 O\n0.183427 0.410960 0.666734 O\n0.258229 0.773933 0.711208 O\n0.515795 0.446747 0.320735 O\n0.814685 0.539511 0.902214 O\n0.249559 0.117536 0.919892 O\n0.882464 0.750442 0.080109 O\n0.857269 0.780392 0.589646 O\n0.090673 0.318868 0.141004 O\n0.681131 0.909328 0.858996 O\n0.923488 0.446646 0.402401 O\n0.907442 0.133423 0.679897 O\n0.219609 0.142730 0.410355 O\n0.866576 0.092558 0.320104 O\n0.589039 0.816574 0.333267 O\n0.553253 0.484205 0.679265 O\n0.553354 0.076511 0.597600 O\n0.226067 0.741770 0.288793 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mg",
"B",
"P",
"O"
],
"chemical_system": "B-Mg-O-P",
"density": 2.7468586968259414,
"density_atomic": 0.08818855559011406,
"volume": 340.1801945757574,
"volume_molar": 6.828710051664665,
"formula_full": "Mg4 B2 P4 O20",
"formula_reduced": "Mg2B(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 2.573071778888889,
"spacegroup": 5
},
{
"id": "jvasp-120252",
"created_at": "2022-09-04T14:38:46.409814Z",
"updated_at": "2022-09-04T14:38:46.409842Z",
"structure_string": "Ge2 I1\n1.0\n3.844347 0.264581 1.542321\n-1.724209 -3.715750 -0.668528\n-2.885474 1.168289 -7.925554\nGe I\n2 1\ndirect\n0.159136 0.688513 0.640401 Ge\n0.637462 0.970767 0.520101 Ge\n0.014759 0.944492 0.079618 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ge",
"I"
],
"chemical_system": "Ge-I",
"density": 4.835596635895816,
"density_atomic": 0.03209658906330388,
"volume": 93.46787579462482,
"volume_molar": 18.762556819114252,
"formula_full": "Ge2 I1",
"formula_reduced": "Ge2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.439352975,
"spacegroup": 5
},
{
"id": "jvasp-120587",
"created_at": "2022-09-04T14:38:46.903561Z",
"updated_at": "2022-09-04T14:38:46.903586Z",
"structure_string": "Li3 Fe5 Co2 O12\n1.0\n4.932034 0.014927 0.447827\n-2.605264 4.187813 0.447827\n-0.012315 -0.022245 9.514218\nLi Fe Co O\n3 5 2 12\ndirect\n0.673024 0.841862 0.744135 Li\n0.158139 0.326977 0.255866 Li\n0.076750 0.923250 0.500000 Li\n0.923478 0.076522 0.000000 Fe\n-0.005582 0.518292 0.736367 Fe\n0.481708 0.005583 0.263633 Fe\n0.582504 0.417496 0.000000 Fe\n0.423013 0.576988 0.500000 Fe\n0.746754 0.253246 0.500000 Co\n0.249440 0.750560 0.000000 Co\n0.035611 0.229886 0.614744 O\n0.394430 0.860254 0.613098 O\n0.222403 0.046717 0.113192 O\n0.537423 0.714630 0.107919 O\n0.770114 0.964389 0.385256 O\n0.874850 0.362313 0.107207 O\n0.953283 0.777598 0.886809 O\n0.705571 0.536125 0.614880 O\n0.637687 0.125151 0.892794 O\n0.285370 0.462578 0.892082 O\n0.463876 0.294429 0.385121 O\n0.139746 0.605570 0.386902 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 5.141539011467409,
"density_atomic": 0.11168708743003007,
"volume": 196.97890334710894,
"volume_molar": 5.391975830485115,
"formula_full": "Li3 Fe5 Co2 O12",
"formula_reduced": "Li3Fe5(CoO6)2",
"formula_anonymous": "A2B3C5D12",
"energy_above_hull": 3.092765513636364,
"spacegroup": 5
},
{
"id": "jvasp-119354",
"created_at": "2022-09-04T14:38:47.392677Z",
"updated_at": "2022-09-04T14:38:47.392705Z",
"structure_string": "Mn6 O4 F8\n1.0\n5.336534 -0.017237 1.955472\n1.522850 5.114667 1.955472\n-0.009860 -0.007328 7.723273\nMn O F\n6 4 8\ndirect\n0.669535 0.642647 0.842806 Mn\n0.309494 0.350070 0.670077 Mn\n0.649930 0.690506 0.329922 Mn\n0.357353 0.330464 0.157194 Mn\n0.018998 0.981002 0.500000 Mn\n0.013065 0.986935 -0.000000 Mn\n0.314870 0.685130 -0.000000 O\n0.709702 0.290298 -0.000000 O\n0.364093 0.987784 0.325001 O\n0.012216 0.635907 0.674999 O\n0.775800 0.768093 0.037062 F\n0.621180 0.034598 0.671791 F\n0.965400 0.378819 0.328209 F\n0.898632 0.899866 0.302385 F\n0.558227 0.570542 0.625153 F\n0.231906 0.224199 0.962937 F\n0.100133 0.101367 0.697614 F\n0.429458 0.441772 0.374846 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.290642898131739,
"density_atomic": 0.08524344496373457,
"volume": 211.15993150743503,
"volume_molar": 7.064637946720738,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.981284428237548,
"spacegroup": 5
}
]
}