{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=12154","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=12152","results":[{"id":"mp-754008","created_at":"2022-09-04T14:41:21.243046Z","structure_string":"Ba4 Cu4 O8\n1.0\n6.061027 0.000000 0.033109\n0.000000 11.910431 0.000000\n-0.020803 0.000000 3.702704\nBa Cu O\n4 4 8\ndirect\n0.981441 0.892990 0.501041 Ba\n0.519488 0.607555 0.497151 Ba\n0.480512 0.107555 0.502849 Ba\n0.018559 0.392990 0.498959 Ba\n0.983860 0.123971 0.005680 Cu\n0.514513 0.376855 0.002729 Cu\n0.485487 0.876855 0.997271 Cu\n0.016140 0.623971 0.994320 Cu\n0.989364 0.664800 0.494293 O\n0.010636 0.164800 0.505707 O\n0.258849 0.510738 0.997286 O\n0.241587 0.989463 0.001582 O\n0.511147 0.835629 0.497375 O\n0.488853 0.335629 0.502625 O\n0.758413 0.489463 0.998418 O\n0.741151 0.010738 0.002714 O\n","nsites":16,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":5.7865534483685845,"density_atomic":0.05985686440931283,"volume":267.3043460911835,"volume_molar":10.060902487005395,"formula_full":"Ba4 Cu4 O8","formula_reduced":"BaCuO2","formula_anonymous":"ABC2","energy":-93.70268849,"energy_per_atom":-5.856418030625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.20668849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0468682,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.834000Z","spacegroup":55},{"id":"mp-1097246","created_at":"2022-09-04T14:41:21.244488Z","structure_string":"Sr2 Zn1 In1\n1.0\n-6.628002 6.661720 9.109885\n6.628002 -6.661720 9.109885\n6.628002 6.661720 -9.109885\nSr Zn In\n2 1 1\ndirect\n0.258129 0.000000 0.258129 Sr\n0.741871 0.000000 0.741871 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 In\n","nsites":4,"nelements":3,"elements":["Sr","Zn","In"],"chemical_system":"In-Sr-Zn","density":0.3668651808300881,"density_atomic":0.0024860971732004783,"volume":1608.9475677455512,"volume_molar":242.2327182105836,"formula_full":"Sr2 Zn1 In1","formula_reduced":"Sr2ZnIn","formula_anonymous":"ABC2","energy":-2.67533602,"energy_per_atom":-0.668834005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.67533602,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5546239,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.117000Z","spacegroup":71},{"id":"mp-1034087","created_at":"2022-09-04T14:41:21.282816Z","structure_string":"Rb1 Mg14 Bi1 O16\n1.0\n8.750749 0.000000 -0.000000\n0.000000 9.013733 0.000000\n-0.000000 0.000000 4.529478\nRb Mg Bi O\n1 14 1 16\ndirect\n0.000000 -0.000000 0.000000 Rb\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.234883 0.500000 Mg\n0.000000 0.765117 0.500000 Mg\n0.500000 0.246968 0.500000 Mg\n0.500000 0.753032 0.500000 Mg\n0.256440 -0.000000 0.500000 Mg\n0.263837 0.500000 0.500000 Mg\n0.743560 -0.000000 0.500000 Mg\n0.736163 0.500000 0.500000 Mg\n0.260868 0.241561 0.000000 Mg\n0.260868 0.758439 -0.000000 Mg\n0.739132 0.241561 -0.000000 Mg\n0.739132 0.758439 -0.000000 Mg\n0.000000 0.500000 0.000000 Bi\n0.281865 -0.000000 0.000000 O\n0.269602 0.500000 -0.000000 O\n0.718135 -0.000000 -0.000000 O\n0.730398 0.500000 0.000000 O\n0.250593 0.251051 0.500000 O\n0.250593 0.748949 0.500000 O\n0.749407 0.251051 0.500000 O\n0.749407 0.748949 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.258662 0.000000 O\n0.000000 0.741338 0.000000 O\n0.500000 0.255068 0.000000 O\n0.500000 0.744932 0.000000 O\n","nsites":32,"nelements":4,"elements":["Rb","Mg","Bi","O"],"chemical_system":"Bi-Mg-O-Rb","density":4.139869697356969,"density_atomic":0.08956780003393378,"volume":357.27125136350827,"volume_molar":6.723555516288715,"formula_full":"Rb1 Mg14 Bi1 O16","formula_reduced":"RbMg14BiO16","formula_anonymous":"ABC14D16","energy":-189.74421764,"energy_per_atom":-5.92950680125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.75221764,"band_gap":5.148599999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.405000Z","spacegroup":47},{"id":"mp-542573","created_at":"2022-09-04T14:41:21.284609Z","structure_string":"Th4 B16\n1.0\n7.255614 0.000000 0.000000\n0.000000 7.255614 0.000000\n0.000000 0.000000 4.119525\nTh B\n4 16\ndirect\n0.814012 0.314012 0.000000 Th\n0.314012 0.185988 0.000000 Th\n0.685988 0.814012 0.000000 Th\n0.185988 0.685988 0.000000 Th\n0.000000 0.000000 0.201145 B\n0.500000 0.500000 0.798855 B\n0.000000 0.000000 0.798855 B\n0.500000 0.500000 0.201145 B\n0.589557 0.089557 0.500000 B\n0.089557 0.410443 0.500000 B\n0.910443 0.589557 0.500000 B\n0.410443 0.910443 0.500000 B\n0.038899 0.175149 0.500000 B\n0.175149 0.961101 0.500000 B\n0.824851 0.038899 0.500000 B\n0.961101 0.824851 0.500000 B\n0.461101 0.675149 0.500000 B\n0.538899 0.324851 0.500000 B\n0.675149 0.538899 0.500000 B\n0.324851 0.461101 0.500000 B\n","nsites":20,"nelements":2,"elements":["Th","B"],"chemical_system":"B-Th","density":8.431241230865798,"density_atomic":0.09222199494463233,"volume":216.86800434112791,"volume_molar":6.530048242412817,"formula_full":"Th4 B16","formula_reduced":"ThB4","formula_anonymous":"AB4","energy":-148.95513104,"energy_per_atom":-7.4477565519999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.95513104,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021688,"is_theoretical":false,"updated_at":"2021-11-28T01:35:18.843000Z","spacegroup":127},{"id":"mp-1008601","created_at":"2022-09-04T14:41:21.289927Z","structure_string":"Zr1 Ag2\n1.0\n-1.791193 1.791193 4.529458\n1.791193 -1.791193 4.529458\n1.791193 1.791193 -4.529458\nZr Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.671334 0.671334 0.000000 Ag\n0.328666 0.328666 0.000000 Ag\n","nsites":3,"nelements":2,"elements":["Zr","Ag"],"chemical_system":"Ag-Zr","density":8.768805852561856,"density_atomic":0.051609572270059856,"volume":58.12875147078836,"volume_molar":11.668650785338151,"formula_full":"Zr1 Ag2","formula_reduced":"ZrAg2","formula_anonymous":"AB2","energy":-14.35575685,"energy_per_atom":-4.7852522833333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.35575685,"band_gap":0.0013000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001379,"is_theoretical":false,"updated_at":"2021-11-28T01:35:13.363000Z","spacegroup":139},{"id":"mp-1207743","created_at":"2022-09-04T14:41:21.336187Z","structure_string":"Tm2 Ta10 Ag4 O30\n1.0\n12.590185 0.000000 0.000000\n0.000000 12.590185 0.000000\n0.000000 0.000000 3.915305\nTm Ta Ag O\n2 10 4 30\ndirect\n0.000000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.500000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.210353 0.078643 0.000000 Ta\n0.789647 0.921357 0.000000 Ta\n0.078643 0.789647 0.000000 Ta\n0.710353 0.421357 0.000000 Ta\n0.921357 0.210353 0.000000 Ta\n0.289647 0.578643 0.000000 Ta\n0.578643 0.710353 0.000000 Ta\n0.421357 0.289647 0.000000 Ta\n0.671815 0.171815 0.500000 Ag\n0.328185 0.828185 0.500000 Ag\n0.171815 0.328185 0.500000 Ag\n0.828185 0.671815 0.500000 Ag\n0.186674 0.079265 0.500000 O\n0.813326 0.920735 0.500000 O\n0.079265 0.813326 0.500000 O\n0.686674 0.420735 0.500000 O\n0.920735 0.186674 0.500000 O\n0.313326 0.579265 0.500000 O\n0.579265 0.686674 0.500000 O\n0.420735 0.313326 0.500000 O\n0.224877 0.724877 0.000000 O\n0.775123 0.275123 0.000000 O\n0.724877 0.775123 0.000000 O\n0.275123 0.224877 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.056463 0.129440 0.000000 O\n0.943537 0.870560 0.000000 O\n0.129440 0.943537 0.000000 O\n0.556463 0.370560 0.000000 O\n0.870560 0.056463 0.000000 O\n0.443537 0.629440 0.000000 O\n0.629440 0.556463 0.000000 O\n0.370560 0.443537 0.000000 O\n0.340834 0.998955 0.000000 O\n0.659166 0.001045 0.000000 O\n0.998955 0.659166 0.000000 O\n0.840834 0.501045 0.000000 O\n0.001045 0.340834 0.000000 O\n0.159166 0.498955 0.000000 O\n0.498955 0.840834 0.000000 O\n0.501045 0.159166 0.000000 O\n","nsites":46,"nelements":4,"elements":["Tm","Ta","Ag","O"],"chemical_system":"Ag-O-Ta-Tm","density":8.184094650782384,"density_atomic":0.07411873684690151,"volume":620.6257952697828,"volume_molar":8.124991083481683,"formula_full":"Tm2 Ta10 Ag4 O30","formula_reduced":"TmTa5Ag2O15","formula_anonymous":"AB2C5D15","energy":-424.87379692,"energy_per_atom":-9.236386889565217,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-404.26379692,"band_gap":2.5398000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021474,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.721000Z","spacegroup":127},{"id":"mp-20885","created_at":"2022-09-04T14:41:21.550133Z","structure_string":"Fe4 P1\n1.0\n4.136332 0.000000 0.000000\n0.000000 4.136332 0.000000\n0.000000 0.000000 4.136332\nFe P\n4 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 P\n","nsites":5,"nelements":2,"elements":["Fe","P"],"chemical_system":"Fe-P","density":5.968168736459096,"density_atomic":0.07065189824636546,"volume":70.769506893712,"volume_molar":8.523678640594483,"formula_full":"Fe4 P1","formula_reduced":"Fe4P","formula_anonymous":"AB4","energy":-37.23713437,"energy_per_atom":-7.447426874,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.23713437,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.4482592,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.434000Z","spacegroup":221},{"id":"mp-755369","created_at":"2022-09-04T14:41:21.205701Z","structure_string":"Li12 V6 Ga6 O24\n1.0\n5.165597 0.010407 -0.024035\n2.552421 7.444907 7.257434\n2.527319 -4.533832 7.289809\nLi V Ga O\n12 6 6 24\ndirect\n0.000120 0.751304 0.248370 Li\n0.000171 0.251317 0.748225 Li\n0.999809 0.498694 0.835052 Li\n0.999745 0.998697 0.334901 Li\n0.002915 0.501006 0.161949 Li\n0.002939 0.001130 0.661910 Li\n0.997009 0.748829 0.921492 Li\n0.997055 0.248986 0.421393 Li\n0.001099 0.995833 0.003588 Li\n0.001164 0.495806 0.503396 Li\n0.999004 0.254217 0.080051 Li\n0.999004 0.754152 0.579838 Li\n0.499802 0.374967 0.291585 V\n0.500674 0.624069 0.376950 V\n0.499352 0.125922 0.206412 V\n0.499856 0.875079 0.791641 V\n0.500507 0.124034 0.876928 V\n0.499522 0.625944 0.706477 V\n0.500049 0.625016 0.041643 Ga\n0.500052 0.125048 0.541669 Ga\n0.498286 0.872435 0.127263 Ga\n0.498365 0.372381 0.627122 Ga\n0.501543 0.377596 0.956292 Ga\n0.501866 0.877504 0.456050 Ga\n0.271255 0.557944 0.601724 O\n0.271121 0.057872 0.102063 O\n0.728601 0.191941 0.981967 O\n0.728965 0.692058 0.481403 O\n0.276185 0.311854 0.850710 O\n0.275746 0.812007 0.350751 O\n0.723958 0.437997 0.732684 O\n0.724369 0.937763 0.232627 O\n0.274146 0.313565 0.179683 O\n0.274411 0.813172 0.679707 O\n0.725460 0.436630 0.403616 O\n0.725488 0.936932 0.903504 O\n0.274214 0.561362 0.934508 O\n0.274675 0.061341 0.434223 O\n0.725571 0.688699 0.148842 O\n0.725841 0.188637 0.648798 O\n0.274853 0.559476 0.266615 O\n0.274621 0.059539 0.766727 O\n0.725286 0.690549 0.816513 O\n0.725288 0.190619 0.316629 O\n0.273722 0.807363 0.022454 O\n0.273420 0.307227 0.522766 O\n0.726621 0.442762 0.060496 O\n0.726271 0.942720 0.560789 O\n","nsites":48,"nelements":4,"elements":["Li","V","Ga","O"],"chemical_system":"Ga-Li-O-V","density":4.385701070412727,"density_atomic":0.10641992055743907,"volume":451.0433737271255,"volume_molar":5.658847261354241,"formula_full":"Li12 V6 Ga6 O24","formula_reduced":"Li2VGaO4","formula_anonymous":"ABC2D4","energy":-329.2133049,"energy_per_atom":-6.858610518750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-302.5253049,"band_gap":1.3508999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.66e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.534000Z","spacegroup":2},{"id":"mp-766398","created_at":"2022-09-04T14:41:21.214107Z","structure_string":"Li3 Cr4 P6 O24\n1.0\n6.184061 5.926641 0.000000\n-6.184061 5.926641 0.000000\n0.000000 2.364627 5.860616\nLi Cr P O\n3 4 6 24\ndirect\n0.498431 0.501021 0.249633 Li\n0.498979 0.501569 0.750367 Li\n0.018242 0.981758 0.500000 Li\n0.941269 0.617003 0.894139 Cr\n0.619605 0.941029 0.389804 Cr\n0.382997 0.058731 0.105861 Cr\n0.058971 0.380395 0.610196 Cr\n0.842755 0.650748 0.398908 P\n0.727571 0.272429 0.000000 P\n0.651583 0.842623 0.892575 P\n0.349252 0.157245 0.601092 P\n0.272665 0.727335 0.500000 P\n0.157377 0.348417 0.107425 P\n0.933224 0.582240 0.588532 O\n0.967529 0.643093 0.173482 O\n0.826789 0.832985 0.384913 O\n0.850221 0.249489 0.785984 O\n0.750511 0.149779 0.214016 O\n0.835044 0.822473 0.861291 O\n0.681418 0.552456 0.448828 O\n0.643296 0.971149 0.671488 O\n0.748987 0.447081 0.028131 O\n0.586568 0.932033 0.085059 O\n0.447544 0.318582 0.551172 O\n0.552919 0.251013 0.971869 O\n0.446062 0.748792 0.529120 O\n0.549949 0.681412 0.949672 O\n0.417760 0.066776 0.411468 O\n0.251208 0.553938 0.470880 O\n0.356907 0.032471 0.826518 O\n0.318588 0.450051 0.050328 O\n0.167015 0.173211 0.615087 O\n0.246064 0.855046 0.290985 O\n0.144954 0.753936 0.709015 O\n0.177527 0.164956 0.138709 O\n0.028851 0.356704 0.328512 O\n0.067967 0.413432 0.914941 O\n","nsites":37,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":3.087038882415385,"density_atomic":0.08612833982971556,"volume":429.5914686519297,"volume_molar":6.992054847343374,"formula_full":"Li3 Cr4 P6 O24","formula_reduced":"Li3Cr4(PO4)6","formula_anonymous":"A3B4C6D24","energy":-286.74817133,"energy_per_atom":-7.749950576486486,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.26417133,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0056672,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.134000Z","spacegroup":5},{"id":"mp-686936","created_at":"2022-09-04T14:41:21.215890Z","structure_string":"U4 V8 O32\n1.0\n6.329261 0.000000 0.000000\n0.000000 10.653950 0.000000\n0.000000 0.000000 11.236584\nU V O\n4 8 32\ndirect\n0.392713 0.620614 0.250000 U\n0.607287 0.379386 0.750000 U\n0.892713 0.879386 0.250000 U\n0.107287 0.120614 0.750000 U\n0.819617 0.814888 0.600073 V\n0.680383 0.314888 0.100073 V\n0.680383 0.314888 0.399927 V\n0.819617 0.814888 0.899927 V\n0.319618 0.685112 0.899927 V\n0.319618 0.685112 0.600073 V\n0.180383 0.185112 0.399927 V\n0.180383 0.185112 0.100073 V\n0.145187 0.036888 0.139478 O\n0.053305 0.728808 0.942337 O\n0.697820 0.249033 0.250000 O\n0.197820 0.250967 0.250000 O\n0.645187 0.463112 0.360522 O\n0.946695 0.271192 0.442337 O\n0.651913 0.733447 0.250000 O\n0.446695 0.228808 0.442337 O\n0.837308 0.879550 0.413773 O\n0.837308 0.879550 0.086227 O\n0.553305 0.771192 0.942337 O\n0.151913 0.766553 0.250000 O\n0.854813 0.963112 0.860522 O\n0.662692 0.379550 0.913773 O\n0.162692 0.120450 0.913773 O\n0.354813 0.536888 0.860522 O\n0.354813 0.536888 0.639478 O\n0.802180 0.749033 0.750000 O\n0.348087 0.266553 0.750000 O\n0.645187 0.463112 0.139478 O\n0.302180 0.750967 0.750000 O\n0.162692 0.120450 0.586227 O\n0.337308 0.620450 0.086227 O\n0.854813 0.963112 0.639478 O\n0.446695 0.228808 0.057663 O\n0.946695 0.271192 0.057663 O\n0.053305 0.728808 0.557663 O\n0.337308 0.620450 0.413773 O\n0.848087 0.233447 0.750000 O\n0.145187 0.036888 0.360522 O\n0.662692 0.379550 0.586227 O\n0.553305 0.771192 0.557663 O\n","nsites":44,"nelements":3,"elements":["U","V","O"],"chemical_system":"O-U-V","density":4.101764964469976,"density_atomic":0.05807038620958755,"volume":757.701177347009,"volume_molar":10.370416236366845,"formula_full":"U4 V8 O32","formula_reduced":"UV2O8","formula_anonymous":"AB2C8","energy":-391.44064637,"energy_per_atom":-8.89637832659091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.85664637,"band_gap":1.4074,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001231,"is_theoretical":false,"updated_at":"2021-11-28T01:35:20.872000Z","spacegroup":62},{"id":"mp-1191226","created_at":"2022-09-04T14:41:21.218410Z","structure_string":"Ce4 Sn12 Pd8\n1.0\n0.000000 0.000000 -6.201561\n0.000000 -6.323451 0.000000\n-13.958112 0.000000 0.000000\nCe Sn Pd\n4 12 8\ndirect\n0.250000 0.513890 0.798895 Ce\n0.750000 0.486110 0.201105 Ce\n0.750000 0.986110 0.798895 Ce\n0.250000 0.013890 0.201105 Ce\n0.250000 0.018683 0.695416 Sn\n0.750000 0.981317 0.304584 Sn\n0.750000 0.481317 0.695416 Sn\n0.250000 0.518683 0.304584 Sn\n0.250000 0.893514 0.438709 Sn\n0.750000 0.106486 0.561291 Sn\n0.750000 0.606486 0.438709 Sn\n0.250000 0.393514 0.561291 Sn\n0.500000 0.750000 0.996534 Sn\n0.000000 0.250000 0.003466 Sn\n0.500000 0.250000 0.003466 Sn\n0.000000 0.750000 0.996534 Sn\n0.250000 0.011982 0.883695 Pd\n0.750000 0.988018 0.116305 Pd\n0.750000 0.488018 0.883695 Pd\n0.250000 0.511982 0.116305 Pd\n0.500000 0.750000 0.593104 Pd\n0.000000 0.250000 0.406896 Pd\n0.500000 0.250000 0.406896 Pd\n0.000000 0.750000 0.593104 Pd\n","nsites":24,"nelements":3,"elements":["Ce","Sn","Pd"],"chemical_system":"Ce-Pd-Sn","density":8.604509995155942,"density_atomic":0.04384594002383044,"volume":547.3710903895756,"volume_molar":13.734773976169613,"formula_full":"Ce4 Sn12 Pd8","formula_reduced":"CeSn3Pd2","formula_anonymous":"AB2C3","energy":-128.69955609,"energy_per_atom":-5.36248150375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.69955609,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0053738,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.790000Z","spacegroup":57},{"id":"mp-1219198","created_at":"2022-09-04T14:41:21.219986Z","structure_string":"Sm2 Fe2 As2 O1\n1.0\n3.992211 0.000000 0.000000\n0.000000 3.992211 0.000000\n0.000000 0.000000 8.087791\nSm Fe As O\n2 2 2 1\ndirect\n0.750000 0.750000 0.839037 Sm\n0.250000 0.250000 0.160963 Sm\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.750000 0.750000 0.317840 As\n0.250000 0.250000 0.682160 As\n0.750000 0.250000 0.000000 O\n","nsites":7,"nelements":4,"elements":["Sm","Fe","As","O"],"chemical_system":"As-Fe-O-Sm","density":7.44920279910429,"density_atomic":0.05430516607283101,"volume":128.90118024152613,"volume_molar":11.089443593494304,"formula_full":"Sm2 Fe2 As2 O1","formula_reduced":"Sm2Fe2As2O","formula_anonymous":"AB2C2D2","energy":-47.18436912,"energy_per_atom":-6.74062416,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.98536912,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.7850626,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.795000Z","spacegroup":115}]}