{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4557","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4555","results":[{"id":"jvasp-120753","created_at":"2022-09-04T14:38:53.454358Z","updated_at":"2022-09-04T14:38:53.454384Z","structure_string":"Li4 Mn1 Fe3 B4 O12\n1.0\n5.188420 -0.133420 -0.005278\n-0.088036 5.829343 1.064005\n-0.210273 -0.199756 7.722181\nLi Mn Fe B O\n4 1 3 4 12\ndirect\n0.587510 0.891929 0.810841 Li\n0.912302 0.607707 0.687911 Li\n0.083247 0.373509 0.310170 Li\n0.415076 0.122344 0.190833 Li\n0.084390 0.087542 0.672925 Mn\n0.422458 0.420588 0.830127 Fe\n0.892636 0.884038 0.314166 Fe\n0.603838 0.600518 0.178359 Fe\n0.098354 0.738787 -0.002355 B\n0.588838 0.258429 0.499826 B\n0.398636 0.757477 0.499387 B\n0.914097 0.248049 0.003442 B\n0.052281 0.137488 0.143822 O\n0.363540 0.726887 0.983281 O\n0.946117 0.836325 0.859976 O\n0.038983 0.342613 0.849044 O\n0.134018 0.774632 0.512562 O\n0.547586 0.661478 0.640215 O\n0.516520 0.853080 0.343273 O\n0.471200 0.165954 0.658241 O\n0.442255 0.356773 0.358428 O\n0.851584 0.243922 0.485168 O\n0.984649 0.638436 0.154220 O\n0.649882 0.271477 0.016143 O\n","nsites":24,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.4363650541740918,"density_atomic":0.10230470347731911,"volume":234.59331960549386,"volume_molar":5.886474966749798,"formula_full":"Li4 Mn1 Fe3 B4 O12","formula_reduced":"Li4MnFe3(BO3)4","formula_anonymous":"AB3C4D4E12","energy_above_hull":3.322998169779693,"spacegroup":1},{"id":"jvasp-120029","created_at":"2022-09-04T14:38:53.357120Z","updated_at":"2022-09-04T14:38:53.357151Z","structure_string":"Sr1 H1 Br3\n1.0\n4.512546 -0.041097 0.008450\n-0.405809 5.916494 0.138865\n-1.725729 -2.277773 5.914413\nSr H Br\n1 1 3\ndirect\n0.646481 0.209645 0.082689 Sr\n0.887643 0.803458 0.805642 H\n0.701319 0.686211 0.016345 Br\n0.283158 0.336630 0.400823 Br\n0.988131 0.974766 0.691994 Br\n","nsites":5,"nelements":3,"elements":["Sr","H","Br"],"chemical_system":"Br-H-Sr","density":3.4217843802948686,"density_atomic":0.03137977547846635,"volume":159.33829747861438,"volume_molar":19.19115311749938,"formula_full":"Sr1 H1 Br3","formula_reduced":"SrHBr3","formula_anonymous":"ABC3","energy_above_hull":0.1076477249999999,"spacegroup":1},{"id":"jvasp-117520","created_at":"2022-09-04T14:38:53.245083Z","updated_at":"2022-09-04T14:38:53.245112Z","structure_string":"B1 Te3\n1.0\n5.858064 0.584246 1.185040\n0.136242 -3.354093 0.534798\n-0.596945 -0.019688 -5.805501\nB Te\n1 3\ndirect\n0.985102 -0.083071 0.053294 B\n0.602118 0.851607 0.066689 Te\n0.284440 0.030112 0.399878 Te\n-0.046302 0.345673 0.787241 Te\n","nsites":4,"nelements":2,"elements":["B","Te"],"chemical_system":"B-Te","density":5.834170847745403,"density_atomic":0.03570448800989097,"volume":112.03073403242493,"volume_molar":16.866621244734635,"formula_full":"B1 Te3","formula_reduced":"BTe3","formula_anonymous":"AB3","energy_above_hull":1.867523970833333,"spacegroup":1},{"id":"jvasp-118535","created_at":"2022-09-04T14:38:53.192053Z","updated_at":"2022-09-04T14:38:53.192085Z","structure_string":"Hf1 O3\n1.0\n4.455251 1.560774 0.287861\n0.222439 -3.050018 0.045667\n-1.525584 -1.582661 -3.073204\nHf O\n1 3\ndirect\n0.063604 0.778345 0.069334 Hf\n0.460307 0.406767 0.186148 O\n0.051628 0.074547 0.467767 O\n0.679592 0.299331 0.686509 O\n","nsites":4,"nelements":2,"elements":["Hf","O"],"chemical_system":"Hf-O","density":9.040692607276139,"density_atomic":0.09615392495984004,"volume":41.59996590540275,"volume_molar":6.263021257338405,"formula_full":"Hf1 O3","formula_reduced":"HfO3","formula_anonymous":"AB3","energy_above_hull":2.5581358750000005,"spacegroup":1},{"id":"jvasp-122475","created_at":"2022-09-04T14:38:53.186482Z","updated_at":"2022-09-04T14:38:53.186507Z","structure_string":"Na1 Ca3 Mg1 Fe1 Si4 O14\n1.0\n5.045765 -0.015534 0.114643\n0.071789 7.804254 0.050435\n0.073210 -0.010486 7.886187\nNa Ca Mg Fe Si O\n1 3 1 1 4 14\ndirect\n0.507566 0.816350 0.334540 Na\n0.511199 0.345909 0.183099 Ca\n0.504116 0.160634 0.653626 Ca\n0.479771 0.653803 0.827007 Ca\n0.996841 0.493908 0.501405 Mg\n0.006703 0.010816 0.000879 Fe\n0.951684 0.637359 0.136866 Si\n0.067394 0.143156 0.362805 Si\n0.928110 0.361390 0.853525 Si\n0.052176 0.859421 0.642192 Si\n0.819898 0.825860 0.091785 O\n0.231701 0.309095 0.429765 O\n0.775346 0.187332 0.930222 O\n0.190419 0.674541 0.606029 O\n0.210061 0.933957 0.810535 O\n0.766673 0.410158 0.683721 O\n0.750478 0.161228 0.368975 O\n0.801206 0.568850 0.309123 O\n0.734816 0.868302 0.663432 O\n0.245146 0.350941 0.840621 O\n0.174928 0.984983 0.486472 O\n0.270302 0.623894 0.121177 O\n0.207363 0.106028 0.173323 O\n0.816118 0.512080 0.988885 O\n","nsites":24,"nelements":6,"elements":["Na","Ca","Mg","Fe","Si","O"],"chemical_system":"Ca-Fe-Mg-Na-O-Si","density":2.9933700928486573,"density_atomic":0.07729680347211793,"volume":310.49149411019494,"volume_molar":7.790931176309603,"formula_full":"Na1 Ca3 Mg1 Fe1 Si4 O14","formula_reduced":"NaCa3MgFe(Si2O7)2","formula_anonymous":"ABCD3E4F14","energy_above_hull":2.368621175416666,"spacegroup":1},{"id":"jvasp-120521","created_at":"2022-09-04T14:38:52.967993Z","updated_at":"2022-09-04T14:38:52.968022Z","structure_string":"La1 Mo6 Se4 S4\n1.0\n6.685316 -0.016871 -0.113950\n-0.029655 6.687033 -0.050040\n-0.023061 -0.021799 6.750772\nLa Mo Se S\n1 6 4 4\ndirect\n0.992145 0.015567 0.998826 La\n0.235696 0.554941 0.577042 Mo\n0.560568 0.418298 0.762358 Mo\n0.418373 0.231634 0.441560 Mo\n0.769392 0.438334 0.421344 Mo\n0.441284 0.575660 0.236016 Mo\n0.585323 0.767781 0.556166 Mo\n0.381701 0.757920 0.878484 Se\n0.241023 0.876258 0.372272 Se\n0.885930 0.626251 0.758795 Se\n0.618339 0.239352 0.118796 Se\n0.243128 0.241871 0.750913 S\n0.760251 0.752333 0.246701 S\n0.740391 0.129200 0.620389 S\n0.126455 0.374599 0.260335 S\n","nsites":15,"nelements":4,"elements":["La","Mo","Se","S"],"chemical_system":"La-Mo-S-Se","density":6.3757546481738645,"density_atomic":0.04970764519857315,"volume":301.7644456919591,"volume_molar":12.115119788802355,"formula_full":"La1 Mo6 Se4 S4","formula_reduced":"LaMo6(SeS)4","formula_anonymous":"AB4C4D6","energy_above_hull":4.158045591111112,"spacegroup":1},{"id":"jvasp-111613","created_at":"2022-09-04T14:38:52.834760Z","updated_at":"2022-09-04T14:38:52.834784Z","structure_string":"Hg1 H4 C2 N4 Cl2\n1.0\n3.925982 0.081314 0.418656\n0.644002 6.766243 1.169806\n0.252196 0.117972 6.747718\nHg H C N Cl\n1 4 2 4 2\ndirect\n0.056252 0.043038 0.955443 Hg\n0.792654 0.613828 0.191720 H\n0.957848 0.397959 0.348989 H\n0.275873 0.645832 0.680799 H\n0.215630 0.417475 0.618283 H\n0.037341 0.990226 0.473414 C\n0.028000 0.661511 0.427001 C\n0.969546 0.860372 0.373922 N\n0.085431 0.125256 0.547664 N\n0.928661 0.549366 0.309057 N\n0.178795 0.569196 0.590298 N\n0.591485 0.287310 0.021749 Cl\n0.515996 0.786284 0.906934 Cl\n","nsites":13,"nelements":5,"elements":["Hg","H","C","N","Cl"],"chemical_system":"C-Cl-H-Hg-N","density":3.322841739675972,"density_atomic":0.07315963343635883,"volume":177.69361858966434,"volume_molar":8.231507563851626,"formula_full":"Hg1 H4 C2 N4 Cl2","formula_reduced":"HgH4C2(N2Cl)2","formula_anonymous":"AB2C2D4E4","energy_above_hull":3.9071135180769234,"spacegroup":1},{"id":"jvasp-120584","created_at":"2022-09-04T14:38:52.723991Z","updated_at":"2022-09-04T14:38:52.724027Z","structure_string":"Li1 V6 O7 F5\n1.0\n5.236409 -0.038112 1.903981\n1.240748 5.128240 2.013646\n0.002181 0.097972 7.500519\nLi V O F\n1 6 7 5\ndirect\n0.630345 0.142578 0.363594 Li\n0.277115 0.322668 0.151430 V\n0.658093 0.666032 0.317495 V\n0.016732 0.988765 0.512824 V\n0.331309 0.341065 0.687646 V\n0.673383 0.699623 0.840531 V\n0.023236 0.962774 0.000313 V\n0.310787 0.673284 0.991768 O\n0.229654 0.207988 0.967240 O\n0.629133 0.044067 0.648809 O\n0.379248 0.983363 0.344878 O\n0.932217 0.341374 0.329415 O\n0.758498 0.778591 0.034675 O\n0.045665 0.646019 0.676733 O\n0.588530 0.559204 0.634676 F\n0.393001 0.456097 0.369526 F\n0.924019 0.867645 0.307963 F\n0.083990 0.120656 0.701526 F\n0.698414 0.290239 0.027278 F\n","nsites":19,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":4.293560473152582,"density_atomic":0.09455216718814205,"volume":200.94727138504788,"volume_molar":6.36911975588778,"formula_full":"Li1 V6 O7 F5","formula_reduced":"LiV6O7F5","formula_anonymous":"AB5C6D7","energy_above_hull":2.7152516375,"spacegroup":1},{"id":"jvasp-120583","created_at":"2022-09-04T14:38:52.697890Z","updated_at":"2022-09-04T14:38:52.697917Z","structure_string":"Fe6 O5 F7\n1.0\n4.608459 0.054811 0.155168\n0.284198 5.478044 0.512425\n0.013277 0.080303 7.503394\nFe O F\n6 5 7\ndirect\n0.570249 0.824864 0.658313 Fe\n0.500606 0.490423 0.017742 Fe\n0.506646 0.167734 0.321396 Fe\n0.972770 0.333532 0.688867 Fe\n0.001730 0.664552 0.328655 Fe\n0.972189 0.014646 0.982089 Fe\n0.287009 0.461376 0.236449 O\n0.708377 0.877982 0.415003 O\n0.693551 0.530709 0.789192 O\n0.696885 0.206157 0.103710 O\n0.796307 0.030297 0.761092 O\n0.800912 0.387822 0.434563 F\n0.788059 0.690247 0.106025 F\n0.296381 0.137499 0.562077 F\n0.293493 0.791470 0.904006 F\n0.189929 0.947029 0.223870 F\n0.195156 0.638869 0.557123 F\n0.229765 0.304782 0.909832 F\n","nsites":18,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.812327131346727,"density_atomic":0.09518176497466527,"volume":189.11185356555532,"volume_molar":6.326990008646011,"formula_full":"Fe6 O5 F7","formula_reduced":"Fe6O5F7","formula_anonymous":"A5B6C7","energy_above_hull":2.1092523598611117,"spacegroup":1},{"id":"jvasp-118984","created_at":"2022-09-04T14:38:52.552733Z","updated_at":"2022-09-04T14:38:52.552765Z","structure_string":"Li6 Mn2 Co2 O10\n1.0\n4.875287 0.008171 -0.618761\n-1.859644 5.264134 -1.357099\n0.012181 -0.027296 6.391683\nLi Mn Co O\n6 2 2 10\ndirect\n0.196838 0.897384 0.405963 Li\n0.992489 0.500875 0.000782 Li\n0.410346 0.305403 0.788367 Li\n0.606951 0.691690 0.213709 Li\n0.797909 0.109279 0.593245 Li\n0.796672 0.592885 0.591767 Li\n-0.000284 0.999214 0.998502 Mn\n0.395610 0.791547 0.791593 Mn\n0.201065 0.402299 0.403240 Co\n0.600146 0.201106 0.201707 Co\n0.480184 0.741070 0.511814 O\n0.294573 0.863071 0.085313 O\n0.124008 0.466824 0.697207 O\n0.488286 0.251938 0.477657 O\n0.700339 0.678781 0.906514 O\n0.902869 0.069131 0.289172 O\n0.113808 0.951302 0.724255 O\n0.899096 0.522513 0.297733 O\n0.297313 0.331951 0.115070 O\n0.701786 0.131721 0.906380 O\n","nsites":20,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.34861123305446,"density_atomic":0.12197958782585225,"volume":163.9618591641217,"volume_molar":4.937006975788185,"formula_full":"Li6 Mn2 Co2 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O1\n1.0\n4.456188 0.817567 -0.853348\n1.583814 -2.411515 -0.358644\n-1.014623 -1.621195 -4.225315\nGe O\n2 1\ndirect\n0.831467 0.836814 0.411507 Ge\n0.304523 0.278274 0.941954 Ge\n0.101488 -0.170466 0.116423 O\n","nsites":3,"nelements":2,"elements":["Ge","O"],"chemical_system":"Ge-O","density":5.066149083709693,"density_atomic":0.056750700158460544,"volume":52.862783923781286,"volume_molar":10.611570858482532,"formula_full":"Ge2 O1","formula_reduced":"Ge2O","formula_anonymous":"AB2","energy_above_hull":0.9858818,"spacegroup":1}]}