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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4559",
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"results": [
{
"id": "jvasp-119221",
"created_at": "2022-09-04T14:38:51.845550Z",
"updated_at": "2022-09-04T14:38:51.845573Z",
"structure_string": "Ca1 Hf8 N8 O4\n1.0\n5.287219 0.002168 1.297711\n3.125957 4.475428 -1.227816\n0.015187 -0.026477 11.505823\nCa Hf N O\n1 8 8 4\ndirect\n0.744571 0.377389 0.141993 Ca\n0.256243 0.214266 0.295702 Hf\n0.113365 0.020943 0.774592 Hf\n0.266028 0.553907 0.967801 Hf\n0.658245 0.181695 0.557019 Hf\n0.473346 0.710933 0.466910 Hf\n0.954477 0.817714 0.267046 Hf\n0.557220 0.937279 0.001103 Hf\n0.863359 0.609629 0.706804 Hf\n0.697512 0.110441 0.875569 N\n0.986238 0.182676 0.627672 N\n0.792412 0.921370 0.123158 N\n0.400852 0.777916 0.867324 N\n0.203354 0.361827 0.122792 N\n0.266576 0.602019 0.632826 N\n0.504140 0.024204 0.401841 N\n0.868341 0.237796 0.393745 N\n0.026878 0.467960 0.863377 O\n0.355108 0.783084 0.125507 O\n0.304633 0.582470 0.341590 O\n0.609454 0.864864 0.620892 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Hf",
"N",
"O"
],
"chemical_system": "Ca-Hf-N-O",
"density": 10.0437428074635,
"density_atomic": 0.07725933580688375,
"volume": 271.81181122875915,
"volume_molar": 7.794709464048268,
"formula_full": "Ca1 Hf8 N8 O4",
"formula_reduced": "CaHf8(N2O)4",
"formula_anonymous": "AB4C8D8",
"energy_above_hull": 5.585753067619048,
"spacegroup": 1
},
{
"id": "jvasp-117848",
"created_at": "2022-09-04T14:38:51.877241Z",
"updated_at": "2022-09-04T14:38:51.877257Z",
"structure_string": "P3 Br1\n1.0\n5.697184 -0.479189 0.390399\n-5.151316 -3.193058 -0.090833\n-1.549430 0.758105 -4.764896\nP Br\n3 1\ndirect\n0.049383 -0.045975 0.011148 P\n0.254259 0.327821 0.685941 P\n0.309474 0.089447 0.497708 P\n0.278715 0.755684 0.071436 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.011016607557562,
"density_atomic": 0.041967853818973264,
"volume": 95.31104490722464,
"volume_molar": 14.349413210349699,
"formula_full": "P3 Br1",
"formula_reduced": "P3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 2.25947265125,
"spacegroup": 1
},
{
"id": "jvasp-119173",
"created_at": "2022-09-04T14:38:52.728927Z",
"updated_at": "2022-09-04T14:38:52.728937Z",
"structure_string": "Li2 La3 Nd1 Sb2 O12\n1.0\n5.614473 0.000700 -0.041853\n-0.015657 5.790295 -0.000422\n-0.006631 0.000254 7.976423\nLi La Nd Sb O\n2 3 1 2 12\ndirect\n0.502926 0.999391 0.497760 Li\n0.997613 0.497054 0.002012 Li\n0.512494 0.551436 0.749359 La\n0.988882 0.049080 0.749735 La\n0.487119 0.448802 0.251373 La\n0.015125 0.942111 0.247590 Nd\n0.998140 0.498954 0.498427 Sb\n0.501873 0.001012 0.001859 Sb\n0.305709 0.717554 0.053363 O\n0.807073 0.785374 0.549261 O\n0.789805 0.806684 0.955636 O\n0.284368 0.697539 0.451905 O\n0.212238 0.192678 0.050469 O\n0.409587 0.972042 0.758428 O\n0.602126 0.029789 0.243270 O\n0.091649 0.470512 0.741635 O\n0.186457 0.211618 0.446707 O\n0.907335 0.533446 0.255988 O\n0.708007 0.306924 0.545508 O\n0.691465 0.288002 0.949717 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"La",
"Nd",
"Sb",
"O"
],
"chemical_system": "La-Li-Nd-O-Sb",
"density": 6.470040534964601,
"density_atomic": 0.07712846250654753,
"volume": 259.30764532356875,
"volume_molar": 7.807935701413434,
"formula_full": "Li2 La3 Nd1 Sb2 O12",
"formula_reduced": "Li2La3Nd(SbO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.438656535,
"spacegroup": 1
},
{
"id": "jvasp-119499",
"created_at": "2022-09-04T14:38:51.669042Z",
"updated_at": "2022-09-04T14:38:51.669052Z",
"structure_string": "K1 Mg3 Al1 Ge3 O10 F2\n1.0\n5.410526 0.001206 0.451747\n-2.646383 4.651022 -0.922651\n0.023852 -0.034715 10.423975\nK Mg Al Ge O F\n1 3 1 3 10 2\ndirect\n0.999638 0.505271 0.017683 K\n0.339655 0.667900 0.491145 Mg\n0.666356 0.325124 0.491612 Mg\n0.996729 0.002881 0.491830 Mg\n0.666558 0.907181 0.223744 Al\n0.333750 0.239142 0.219146 Ge\n0.331346 0.090032 0.774473 Ge\n0.665376 0.756032 0.774619 Ge\n0.998483 0.034328 0.842911 O\n0.998803 0.960720 0.162457 O\n0.667191 0.699726 0.604235 O\n0.331431 0.035988 0.604120 O\n0.335333 0.299117 0.395329 O\n0.408411 0.554379 0.162069 O\n0.586881 0.445741 0.842892 O\n0.409938 0.857069 0.841839 O\n0.592501 0.144423 0.161716 O\n0.666076 0.965318 0.396545 O\n0.000209 0.638576 0.407204 F\n0.005352 0.371068 0.594431 F\n",
"nsites": 20,
"nelements": 6,
"elements": [
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"Mg",
"Al",
"Ge",
"O",
"F"
],
"chemical_system": "Al-F-Ge-K-Mg-O",
"density": 3.5147400386513152,
"density_atomic": 0.07628777773518837,
"volume": 262.1651933475424,
"volume_molar": 7.89397848355758,
"formula_full": "K1 Mg3 Al1 Ge3 O10 F2",
"formula_reduced": "KMg3AlGe3(O5F)2",
"formula_anonymous": "ABC2D3E3F10",
"energy_above_hull": 1.41337806825,
"spacegroup": 1
},
{
"id": "jvasp-119496",
"created_at": "2022-09-04T14:38:51.473952Z",
"updated_at": "2022-09-04T14:38:51.473974Z",
"structure_string": "Li2 Al2 Si4 O13\n1.0\n4.937515 0.009214 0.025863\n0.082666 6.881855 3.144209\n-0.031246 -0.000508 8.644365\nLi Al Si O\n2 2 4 13\ndirect\n0.105102 0.125983 0.696599 Li\n0.624877 0.838219 0.301130 Li\n0.101691 0.074723 0.365415 Al\n0.631130 0.094318 0.888700 Al\n0.132856 0.905651 0.095759 Si\n0.170143 0.503021 0.084146 Si\n0.676715 0.514238 0.866882 Si\n0.595293 0.937847 0.606874 Si\n0.805296 0.944096 0.078525 O\n0.777279 0.974138 0.436738 O\n0.054082 0.318248 0.240320 O\n0.725386 0.335076 0.814860 O\n0.220890 0.681025 0.141686 O\n0.279732 0.049281 0.917233 O\n0.957608 0.583226 0.923602 O\n0.460401 0.448298 0.023559 O\n0.744115 0.030329 0.723612 O\n0.298789 0.043052 0.545969 O\n0.552468 0.703980 0.706240 O\n0.250915 0.944875 0.256192 O\n0.920642 0.668461 0.460768 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.1944495168169276,
"density_atomic": 0.07149298736357206,
"volume": 293.735102901857,
"volume_molar": 8.42340064680032,
"formula_full": "Li2 Al2 Si4 O13",
"formula_reduced": "Li2Al2Si4O13",
"formula_anonymous": "A2B2C4D13",
"energy_above_hull": 2.807798357142857,
"spacegroup": 1
},
{
"id": "jvasp-122016",
"created_at": "2022-09-04T14:38:51.386131Z",
"updated_at": "2022-09-04T14:38:51.386152Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.523523 -0.140480 -1.293956\n-0.199543 5.539884 -1.416724\n0.046971 0.050251 6.380494\nLi Mn Co O\n7 2 3 12\ndirect\n0.822448 0.832956 0.323583 Li\n0.658210 0.164546 0.674744 Li\n0.494513 0.505539 0.996415 Li\n0.339638 0.834375 0.332607 Li\n0.182845 0.163514 0.677632 Li\n0.001258 0.499998 0.995963 Li\n0.498149 0.997760 0.996205 Li\n0.003650 0.995082 0.997428 Mn\n0.826475 0.330060 0.331275 Mn\n0.332496 0.330647 0.330988 Co\n0.169851 0.670401 0.668863 Co\n0.665764 0.670049 0.668118 Co\n0.921143 0.901647 0.680215 O\n0.077603 0.097203 0.321208 O\n0.915444 0.432385 0.651531 O\n0.759573 0.758992 0.986615 O\n0.588303 0.108383 0.340276 O\n0.412568 0.438913 0.651037 O\n0.236187 0.758980 0.989677 O\n0.585451 0.564903 0.343814 O\n0.416730 0.892947 0.662574 O\n0.240108 0.240048 0.011931 O\n0.084912 0.566110 0.349441 O\n0.766677 0.244552 0.017849 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.4712139137548625,
"density_atomic": 0.12256500695117077,
"volume": 195.8144546882086,
"volume_molar": 4.913425870729309,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6895816326149427,
"spacegroup": 1
},
{
"id": "jvasp-119540",
"created_at": "2022-09-04T14:38:51.263979Z",
"updated_at": "2022-09-04T14:38:51.263998Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n4.768495 0.000379 0.037438\n0.026374 5.509924 0.584227\n-0.000171 0.159098 7.633418\nLi V O F\n1 6 7 5\ndirect\n0.499412 0.217793 0.778483 Li\n0.488368 0.510183 0.010812 V\n0.521296 0.803556 0.643448 V\n0.539916 0.168678 0.346674 V\n0.982979 0.356498 0.673470 V\n0.967491 0.671612 0.306780 V\n0.988298 -0.005386 0.017646 V\n0.818851 0.642735 0.550748 O\n0.798360 0.303331 0.907280 O\n0.788549 0.975521 0.240920 O\n0.697129 0.469174 0.237897 O\n0.317103 0.522997 0.762418 O\n0.201041 0.708691 0.084378 O\n0.695300 0.139677 0.580520 O\n0.297236 0.855403 0.419712 F\n0.196738 0.362768 0.428019 F\n0.198876 0.024486 0.765786 F\n0.295225 0.197156 0.109321 F\n0.694162 0.810927 0.895541 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.311360023247256,
"density_atomic": 0.09494414630359854,
"volume": 200.11765590313036,
"volume_molar": 6.342824696894189,
"formula_full": "Li1 V6 O7 F5",
"formula_reduced": "LiV6O7F5",
"formula_anonymous": "AB5C6D7",
"energy_above_hull": 2.715659532236842,
"spacegroup": 1
},
{
"id": "jvasp-119421",
"created_at": "2022-09-04T14:38:51.194387Z",
"updated_at": "2022-09-04T14:38:51.194412Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.783711 -0.003395 1.098002\n0.729989 6.324760 0.434743\n-0.042458 0.014753 7.551388\nLi Mn Co O\n8 2 4 14\ndirect\n0.920231 0.155350 0.632920 Li\n0.644268 0.704040 0.229636 Li\n0.509902 0.998507 0.501563 Li\n0.215708 0.564947 0.075886 Li\n0.060327 0.845442 0.365195 Li\n0.774707 0.436604 0.920296 Li\n0.372761 0.293051 0.772967 Li\n0.715869 0.569217 0.568380 Li\n0.999746 0.001466 0.001132 Mn\n0.146494 0.707850 0.707430 Mn\n0.572202 0.856587 0.856029 Co\n0.284649 0.430303 0.430176 Co\n0.428037 0.142921 0.144029 Co\n0.856291 0.287463 0.287926 Co\n0.449157 0.593043 0.821559 O\n0.249766 0.984505 0.763892 O\n0.974590 0.550864 0.322316 O\n0.829409 0.853764 0.626101 O\n0.535391 0.407552 0.193843 O\n0.371615 0.708200 0.474621 O\n0.107833 0.266570 0.046410 O\n0.680448 0.128071 0.906191 O\n0.603962 0.290387 0.517534 O\n0.319403 0.875107 0.094531 O\n0.179905 0.164124 0.376494 O\n0.891439 0.731210 0.952910 O\n0.751631 0.011931 0.236139 O\n0.054253 0.440907 0.673888 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.537562744417868,
"density_atomic": 0.1223946117479607,
"volume": 228.76824069394974,
"volume_molar": 4.920266238844733,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5537688243842367,
"spacegroup": 1
},
{
"id": "jvasp-119535",
"created_at": "2022-09-04T14:38:51.186834Z",
"updated_at": "2022-09-04T14:38:51.186860Z",
"structure_string": "V6 H6 O18\n1.0\n5.137979 0.066769 0.084533\n1.211924 7.754378 -0.660559\n-0.163171 -0.777917 8.371552\nV H O\n6 6 18\ndirect\n0.484866 0.816149 0.441290 V\n0.583309 0.182277 0.998092 V\n0.588024 0.187157 0.607245 V\n0.485591 0.804700 0.045349 V\n0.967081 0.930561 0.259770 V\n0.110108 0.068436 0.785461 V\n0.889845 0.606100 0.624897 H\n-0.021709 0.416539 0.682628 H\n0.832913 0.568690 0.221066 H\n0.202013 0.497271 0.600850 H\n-0.056530 0.363141 0.115853 H\n0.154283 0.462768 0.219352 H\n0.446575 0.258681 0.815945 O\n0.613441 0.648298 0.904020 O\n0.450352 0.341260 0.514110 O\n0.458392 0.337176 0.144744 O\n0.623116 0.669696 0.543363 O\n0.930322 0.916938 0.755281 O\n0.135148 0.088382 0.285528 O\n0.636512 0.730319 0.233153 O\n0.350690 0.012189 0.610695 O\n0.907589 0.233366 0.666277 O\n0.908187 0.222957 0.966413 O\n0.167272 0.775057 0.389502 O\n0.715680 0.986468 0.107821 O\n-0.036108 0.451410 0.218911 O\n0.356137 0.000821 0.933876 O\n0.714657 0.994094 0.435056 O\n0.165722 0.770108 0.090983 O\n0.041074 0.533321 0.674471 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"H",
"O"
],
"chemical_system": "H-O-V",
"density": 3.0152529394039473,
"density_atomic": 0.09083895144682473,
"volume": 330.2548028371,
"volume_molar": 6.629469697836878,
"formula_full": "V6 H6 O18",
"formula_reduced": "VHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.62238894,
"spacegroup": 1
},
{
"id": "jvasp-119378",
"created_at": "2022-09-04T14:38:50.964060Z",
"updated_at": "2022-09-04T14:38:50.964081Z",
"structure_string": "Fe8 O10 F6\n1.0\n4.508950 -0.013239 -0.093556\n-0.172441 7.146719 -1.894603\n0.003091 -0.001592 7.435338\nFe O F\n8 10 6\ndirect\n0.497685 0.405550 0.141479 Fe\n0.508446 0.123026 0.370553 Fe\n0.456847 0.862053 0.633913 Fe\n0.507994 0.619949 0.873356 Fe\n0.993762 0.763737 0.261310 Fe\n0.024875 0.484725 0.480769 Fe\n0.072056 0.241224 0.740135 Fe\n0.954909 0.996068 0.994591 Fe\n0.799118 0.980788 0.228265 O\n0.681693 0.838961 0.843926 O\n0.703169 0.354129 0.340156 O\n0.701787 0.607271 0.103332 O\n0.314717 0.410235 0.908862 O\n0.304553 0.901358 0.411937 O\n0.193516 0.010571 0.778723 O\n0.201919 0.532318 0.278375 O\n0.207107 0.272649 0.508483 O\n0.291357 0.640738 0.647671 O\n0.787561 0.718295 0.487806 F\n0.207863 0.783170 0.029171 F\n0.291906 0.163952 0.136123 F\n0.697503 0.089740 0.617615 F\n0.789452 0.241172 0.975969 F\n0.810206 0.458322 0.707472 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.995731930175647,
"density_atomic": 0.10017975889939201,
"volume": 239.56935276818334,
"volume_molar": 6.011334850633732,
"formula_full": "Fe8 O10 F6",
"formula_reduced": "Fe4O5F3",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 2.437333362291666,
"spacegroup": 1
},
{
"id": "jvasp-122015",
"created_at": "2022-09-04T14:38:51.341767Z",
"updated_at": "2022-09-04T14:38:51.341787Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.796481 -0.007593 1.060866\n1.444521 5.425153 1.146272\n0.011909 0.015362 7.551483\nLi Mn Co O\n7 2 3 12\ndirect\n0.004000 0.500249 0.004803 Li\n-0.002722 0.825759 0.651613 Li\n0.484240 0.339087 0.177760 Li\n0.505379 0.662893 0.825977 Li\n0.999022 0.177339 0.340785 Li\n0.504180 0.998871 0.499004 Li\n0.998738 0.661149 0.340651 Li\n0.999633 0.998480 0.001614 Mn\n0.499852 0.825473 0.175273 Mn\n0.500773 0.165892 0.833137 Co\n0.500294 0.501892 0.497988 Co\n0.000936 0.335816 0.663294 Co\n0.747749 0.996577 0.229928 O\n0.253422 0.692673 0.077589 O\n0.239919 0.019060 0.761210 O\n0.724841 0.516680 0.252297 O\n0.747405 0.849540 0.927109 O\n0.251128 0.339003 0.433004 O\n0.738817 0.189936 0.596123 O\n0.761023 0.312135 0.906381 O\n0.750110 0.644355 0.584763 O\n0.253404 0.148944 0.075343 O\n0.262710 0.474001 0.737735 O\n0.275146 0.824191 0.406618 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.456629554121226,
"density_atomic": 0.12216522018758602,
"volume": 196.4552592231057,
"volume_molar": 4.929505100349295,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.689487882614942,
"spacegroup": 1
},
{
"id": "jvasp-119553",
"created_at": "2022-09-04T14:38:51.306909Z",
"updated_at": "2022-09-04T14:38:51.306933Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n4.790584 -0.131475 -0.290517\n-1.811595 6.407262 -0.310643\n0.034837 -0.003621 8.033863\nLi Mn P O\n2 2 4 14\ndirect\n0.436778 0.522841 0.931233 Li\n0.060875 0.972962 0.441364 Li\n0.508541 0.500922 0.497709 Mn\n0.009818 0.007000 -0.000850 Mn\n0.564798 0.160435 0.763169 P\n0.125446 0.739863 0.695132 P\n0.890853 0.269392 0.300002 P\n0.450120 0.841815 0.230006 P\n0.192662 0.933315 0.201839 O\n0.696248 0.411462 0.316415 O\n0.359710 0.671967 0.352626 O\n0.700852 0.029273 0.338966 O\n0.141664 0.286460 0.434150 O\n0.879218 0.715568 0.557907 O\n0.815656 0.069895 0.803487 O\n0.660505 0.335648 0.645431 O\n0.319459 0.592782 0.687437 O\n0.977862 0.259749 0.119949 O\n0.038148 0.751732 0.874743 O\n0.416251 0.219583 0.912161 O\n0.322717 0.972142 0.648499 O\n0.580733 0.785874 0.073765 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.200053129056637,
"density_atomic": 0.08989091034128717,
"volume": 244.74109691928808,
"volume_molar": 6.699387888203432,
"formula_full": "Li2 Mn2 P4 O14",
"formula_reduced": "LiMnP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.855619340125392,
"spacegroup": 1
}
]
}