{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=105","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=103","results":[{"id":"mp-1211239","created_at":"2022-09-04T14:48:26.964939Z","structure_string":"Nd4 S6 O40\n1.0\n3.498632 5.973705 0.000000\n-3.498632 5.973705 0.000000\n0.000000 3.447254 19.767362\nNd S O\n4 6 40\ndirect\n0.819471 0.842821 0.392025 Nd\n0.180529 0.157179 0.607975 Nd\n0.157179 0.180529 0.107975 Nd\n0.842821 0.819471 0.892025 Nd\n0.774753 0.807195 0.079350 S\n0.225247 0.192805 0.920650 S\n0.192805 0.225247 0.420650 S\n0.807195 0.774753 0.579350 S\n0.740185 0.259815 0.250000 S\n0.259815 0.740185 0.750000 S\n0.350277 0.279461 0.181310 O\n0.649723 0.720539 0.818690 O\n0.720539 0.649723 0.318690 O\n0.279461 0.350277 0.681310 O\n0.375370 0.373689 0.079075 O\n0.624630 0.626311 0.920925 O\n0.626311 0.624630 0.420925 O\n0.373689 0.375370 0.579075 O\n0.533082 0.889653 0.095680 O\n0.466918 0.110347 0.904320 O\n0.110347 0.466918 0.404320 O\n0.889653 0.533082 0.595680 O\n0.824170 0.865091 0.006850 O\n0.175830 0.134909 0.993150 O\n0.134909 0.175830 0.493150 O\n0.865091 0.824170 0.506850 O\n0.587416 0.370461 0.193462 O\n0.412584 0.629539 0.806538 O\n0.629539 0.412584 0.306538 O\n0.370461 0.587416 0.693462 O\n0.846457 0.915376 0.123293 O\n0.153543 0.084624 0.876707 O\n0.084624 0.153543 0.376707 O\n0.915376 0.846457 0.623293 O\n0.435491 0.105418 0.405288 O\n0.564509 0.894582 0.594712 O\n0.894582 0.564509 0.094712 O\n0.105418 0.435491 0.905288 O\n0.183132 0.806899 0.148487 O\n0.816868 0.193101 0.851513 O\n0.193101 0.816868 0.351513 O\n0.806899 0.183132 0.648487 O\n0.719575 0.296786 0.415004 O\n0.280425 0.703214 0.584996 O\n0.703214 0.280425 0.084996 O\n0.296786 0.719575 0.915004 O\n0.760207 0.041812 0.277982 O\n0.239793 0.958188 0.722018 O\n0.958188 0.239793 0.222018 O\n0.041812 0.760207 0.777982 O\n","nsites":50,"nelements":3,"elements":["Nd","S","O"],"chemical_system":"Nd-O-S","density":2.832319742011258,"density_atomic":0.060513079829242346,"volume":826.2676456245745,"volume_molar":9.95180013476997,"formula_full":"Nd4 S6 O40","formula_reduced":"Nd2S3O20","formula_anonymous":"A2B3C20","energy":-299.28513567000005,"energy_per_atom":-5.985702713400001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.80513567,"band_gap":0.2196999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0253012,"is_theoretical":true,"updated_at":"2021-11-28T01:39:17.485000Z","spacegroup":15},{"id":"mp-1188267","created_at":"2022-09-04T14:48:26.976126Z","structure_string":"Bi8 O12\n1.0\n0.000000 5.750505 5.750505\n5.750505 0.000000 5.750505\n5.750505 5.750505 0.000000\nBi O\n8 12\ndirect\n0.880699 0.880699 0.357903 Bi\n0.880699 0.357903 0.880699 Bi\n0.357903 0.880699 0.880699 Bi\n0.880699 0.880699 0.880699 Bi\n0.369301 0.369301 0.892097 Bi\n0.369301 0.892097 0.369301 Bi\n0.892097 0.369301 0.369301 Bi\n0.369301 0.369301 0.369301 Bi\n0.050906 0.050906 0.449094 O\n0.449094 0.050906 0.449094 O\n0.050906 0.449094 0.449094 O\n0.449094 0.449094 0.050906 O\n0.050906 0.449094 0.050906 O\n0.449094 0.050906 0.050906 O\n0.199094 0.199094 0.800906 O\n0.800906 0.199094 0.800906 O\n0.199094 0.800906 0.800906 O\n0.800906 0.800906 0.199094 O\n0.199094 0.800906 0.199094 O\n0.800906 0.199094 0.199094 O\n","nsites":20,"nelements":2,"elements":["Bi","O"],"chemical_system":"Bi-O","density":8.137834278246185,"density_atomic":0.05258744172994551,"volume":380.31893817362015,"volume_molar":11.451670896876392,"formula_full":"Bi8 O12","formula_reduced":"Bi2O3","formula_anonymous":"A2B3","energy":-121.89626222,"energy_per_atom":-6.094813111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.65226222,"band_gap":2.5813999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001558,"is_theoretical":true,"updated_at":"2021-11-28T01:39:40.247000Z","spacegroup":227},{"id":"mp-1519474","created_at":"2022-09-04T14:48:27.023512Z","structure_string":"Ba8 Sm4 Sb4 O24\n1.0\n8.625666 0.000000 0.000000\n0.000000 8.625666 0.000000\n-0.000000 0.000000 8.625666\nBa Sm Sb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n-0.000000 -0.000000 -0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Sm\n0.250000 0.750000 0.750000 Sm\n0.750000 0.250000 0.750000 Sm\n0.750000 0.750000 0.250000 Sm\n0.750000 0.750000 0.750000 Sb\n0.750000 0.250000 0.250000 Sb\n0.250000 0.750000 0.250000 Sb\n0.250000 0.250000 0.750000 Sb\n0.237999 0.263449 0.516200 O\n0.237999 0.736551 0.483800 O\n0.762001 0.263449 0.483800 O\n0.762001 0.736551 0.516200 O\n0.263449 0.516200 0.237999 O\n0.736551 0.483800 0.237999 O\n0.263449 0.483800 0.762001 O\n0.736551 0.516200 0.762001 O\n0.516200 0.237999 0.263449 O\n0.483800 0.237999 0.736551 O\n0.483800 0.762001 0.263449 O\n0.516200 0.762001 0.736551 O\n0.262001 0.236551 0.983800 O\n0.262001 0.763449 0.016200 O\n0.737999 0.236551 0.016200 O\n0.737999 0.763449 0.983800 O\n0.236551 0.983800 0.262001 O\n0.763449 0.016200 0.262001 O\n0.236551 0.016200 0.737999 O\n0.763449 0.983800 0.737999 O\n0.983800 0.262001 0.236551 O\n0.016200 0.262001 0.763449 O\n0.016200 0.737999 0.236551 O\n0.983800 0.737999 0.763449 O\n","nsites":40,"nelements":4,"elements":["Ba","Sm","Sb","O"],"chemical_system":"Ba-O-Sb-Sm","density":6.6525331168967785,"density_atomic":0.062327840321145266,"volume":641.7677845710571,"volume_molar":9.662039834800657,"formula_full":"Ba8 Sm4 Sb4 O24","formula_reduced":"Ba2SmSbO6","formula_anonymous":"ABC2D6","energy":-291.06585517,"energy_per_atom":-7.276646379250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-274.57785517,"band_gap":3.5598,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:18.209000Z","spacegroup":201},{"id":"mp-849346","created_at":"2022-09-04T14:48:27.024349Z","structure_string":"Li16 Mn8 Si8 O32\n1.0\n5.452657 0.000000 0.000000\n0.000000 10.615627 0.000000\n0.000000 0.000000 13.187270\nLi Mn Si O\n16 8 8 32\ndirect\n0.969042 0.971976 0.560802 Li\n0.461285 0.952848 0.942725 Li\n0.367823 0.212619 0.300512 Li\n0.851034 0.207481 0.202273 Li\n0.851034 0.292519 0.702273 Li\n0.367823 0.287381 0.800512 Li\n0.969042 0.528024 0.060802 Li\n0.461285 0.547152 0.442725 Li\n0.538715 0.452848 0.942725 Li\n0.030958 0.471976 0.560802 Li\n0.632177 0.712619 0.300512 Li\n0.148966 0.707481 0.202273 Li\n0.148966 0.792519 0.702273 Li\n0.632177 0.787381 0.800512 Li\n0.030958 0.028024 0.060802 Li\n0.538715 0.047152 0.442725 Li\n0.968774 0.035777 0.812666 Mn\n0.517654 0.206376 0.057001 Mn\n0.517654 0.293624 0.557001 Mn\n0.968774 0.464223 0.312666 Mn\n0.031226 0.535777 0.812666 Mn\n0.482346 0.706376 0.057001 Mn\n0.482346 0.793624 0.557001 Mn\n0.031226 0.964223 0.312666 Mn\n0.478129 0.035082 0.690373 Si\n0.024332 0.210923 0.437171 Si\n0.024332 0.289077 0.937171 Si\n0.478129 0.464918 0.190373 Si\n0.521871 0.535082 0.690373 Si\n0.975668 0.710923 0.437171 Si\n0.975668 0.789077 0.937171 Si\n0.521871 0.964918 0.190373 Si\n0.394543 0.023010 0.294839 O\n0.813282 0.010928 0.188097 O\n0.898136 0.070273 0.433785 O\n0.393035 0.027272 0.088320 O\n0.524796 0.190061 0.692133 O\n0.012358 0.228844 0.820767 O\n0.322058 0.195488 0.455765 O\n0.894786 0.198243 0.023502 O\n0.894786 0.301757 0.523502 O\n0.322058 0.304512 0.955765 O\n0.012358 0.271156 0.320767 O\n0.524796 0.309939 0.192133 O\n0.393035 0.472728 0.588320 O\n0.898136 0.429727 0.933785 O\n0.813282 0.489072 0.688097 O\n0.394543 0.476990 0.794839 O\n0.605457 0.523010 0.294839 O\n0.186718 0.510928 0.188097 O\n0.101864 0.570273 0.433785 O\n0.606965 0.527272 0.088320 O\n0.475204 0.690061 0.692133 O\n0.987642 0.728844 0.820767 O\n0.677942 0.695488 0.455765 O\n0.105214 0.698243 0.023502 O\n0.105214 0.801757 0.523502 O\n0.677942 0.804512 0.955765 O\n0.987642 0.771156 0.320767 O\n0.475204 0.809939 0.192133 O\n0.606965 0.972728 0.588320 O\n0.101864 0.929727 0.933785 O\n0.186718 0.989072 0.688097 O\n0.605457 0.976990 0.794839 O\n","nsites":64,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":2.8002376440441825,"density_atomic":0.08384385654966524,"volume":763.3236665597478,"volume_molar":7.182566508534541,"formula_full":"Li16 Mn8 Si8 O32","formula_reduced":"Li2MnSiO4","formula_anonymous":"ABC2D4","energy":-474.848927,"energy_per_atom":-7.419514484375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-439.520927,"band_gap":2.8521,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:39:14.033000Z","spacegroup":29},{"id":"mp-989620","created_at":"2022-09-04T14:48:27.033656Z","structure_string":"La4 Ta4 N12\n1.0\n5.763247 0.000000 0.000000\n0.000000 7.116368 0.000000\n0.000000 4.857973 6.770248\nLa Ta N\n4 4 12\ndirect\n0.244470 0.760808 0.622704 La\n0.755530 0.239192 0.377296 La\n0.255530 0.760808 0.122704 La\n0.744470 0.239192 0.877296 La\n0.725575 0.772046 0.858838 Ta\n0.225575 0.227954 0.641162 Ta\n0.274425 0.227954 0.141162 Ta\n0.774425 0.772046 0.358838 Ta\n0.234213 0.269363 0.363288 N\n0.265787 0.269363 0.863288 N\n0.536668 0.061523 0.708639 N\n0.036668 0.938477 0.791361 N\n0.463332 0.938477 0.291361 N\n0.765787 0.730637 0.636712 N\n0.900684 0.420864 0.537852 N\n0.099316 0.579136 0.462148 N\n0.734213 0.730637 0.136712 N\n0.963332 0.061523 0.208639 N\n0.599316 0.420864 0.037852 N\n0.400684 0.579136 0.962148 N\n","nsites":20,"nelements":3,"elements":["La","Ta","N"],"chemical_system":"La-N-Ta","density":8.656365811415053,"density_atomic":0.07202773981402619,"volume":277.6707981069446,"volume_molar":8.36086315570781,"formula_full":"La4 Ta4 N12","formula_reduced":"LaTaN3","formula_anonymous":"ABC3","energy":-194.69181217,"energy_per_atom":-9.7345906085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-190.35981217,"band_gap":0.4970999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001013,"is_theoretical":true,"updated_at":"2021-11-28T01:39:16.335000Z","spacegroup":14},{"id":"mp-556459","created_at":"2022-09-04T14:48:27.038388Z","structure_string":"V2 P2 O10\n1.0\n3.531355 3.674238 0.000000\n-3.531355 3.674238 0.000000\n0.000000 3.154687 6.681762\nV P O\n2 2 10\ndirect\n0.769268 0.230947 0.004750 V\n0.230947 0.769268 0.504750 V\n0.411772 0.169217 0.715829 P\n0.169217 0.411772 0.215829 P\n0.148120 0.651432 0.303829 O\n0.958678 0.657500 0.695233 O\n0.126745 0.129821 0.380282 O\n0.651432 0.148120 0.803829 O\n0.444462 0.942704 0.613017 O\n0.129821 0.126745 0.880282 O\n0.942704 0.444462 0.113017 O\n0.440841 0.456495 0.553260 O\n0.456495 0.440841 0.053260 O\n0.657500 0.958678 0.195233 O\n","nsites":14,"nelements":3,"elements":["V","P","O"],"chemical_system":"O-P-V","density":3.101195694602121,"density_atomic":0.08074179028242925,"volume":173.39224150255967,"volume_molar":7.458517750145202,"formula_full":"V2 P2 O10","formula_reduced":"VPO5","formula_anonymous":"ABC5","energy":-113.43850715,"energy_per_atom":-8.102750510714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.16850715,"band_gap":1.9352,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019956,"is_theoretical":false,"updated_at":"2021-11-28T01:39:38.954000Z","spacegroup":9},{"id":"mp-977537","created_at":"2022-09-04T14:48:27.054928Z","structure_string":"Zr1 Cd1 Rh2\n1.0\n0.000000 3.254290 3.254290\n3.254290 0.000000 3.254290\n3.254290 3.254290 0.000000\nZr Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Zr","Cd","Rh"],"chemical_system":"Cd-Rh-Zr","density":9.863861815098149,"density_atomic":0.05803115850025454,"volume":68.9284877878572,"volume_molar":10.377426395810426,"formula_full":"Zr1 Cd1 Rh2","formula_reduced":"ZrCdRh2","formula_anonymous":"ABC2","energy":-26.64916167,"energy_per_atom":-6.6622904175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.64916167,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018462,"is_theoretical":true,"updated_at":"2021-11-28T01:39:18.774000Z","spacegroup":225},{"id":"mp-1201035","created_at":"2022-09-04T14:48:27.024972Z","structure_string":"K4 Co4 N24 O32\n1.0\n6.857662 0.000000 0.000000\n0.000000 11.445075 0.000000\n0.000000 0.000000 13.004276\nK Co N O\n4 4 24 32\ndirect\n0.782035 0.622862 0.975169 K\n0.282035 0.877138 0.024831 K\n0.217965 0.122862 0.524831 K\n0.717965 0.377138 0.475169 K\n0.244785 0.584844 0.688863 Co\n0.744785 0.915156 0.311137 Co\n0.755215 0.084844 0.811137 Co\n0.255215 0.415156 0.188863 Co\n0.017664 0.496536 0.765998 N\n0.517664 0.003464 0.234002 N\n0.982336 0.996536 0.734002 N\n0.482336 0.503464 0.265998 N\n0.260201 0.694927 0.811772 N\n0.760201 0.805073 0.188228 N\n0.739799 0.194927 0.688228 N\n0.239799 0.305073 0.311772 N\n0.481902 0.666040 0.610449 N\n0.981902 0.833960 0.389551 N\n0.518098 0.166040 0.889551 N\n0.018098 0.333960 0.110449 N\n0.215389 0.467163 0.572984 N\n0.715389 0.032837 0.427016 N\n0.784611 0.967163 0.927016 N\n0.284611 0.532837 0.072984 N\n0.412248 0.496681 0.747854 N\n0.912248 0.003319 0.252146 N\n0.587752 0.996681 0.752146 N\n0.087752 0.503319 0.247854 N\n0.089639 0.676068 0.627339 N\n0.589639 0.823932 0.372661 N\n0.910361 0.176068 0.872661 N\n0.410361 0.323932 0.127339 N\n0.858885 0.488855 0.722667 O\n0.358885 0.011145 0.277333 O\n0.141115 0.988855 0.777333 O\n0.641115 0.511145 0.222667 O\n0.052992 0.461546 0.853746 O\n0.552992 0.038454 0.146254 O\n0.947008 0.961546 0.646254 O\n0.447008 0.538454 0.353746 O\n0.419592 0.711181 0.853946 O\n0.919592 0.788819 0.146054 O\n0.580408 0.211181 0.646054 O\n0.080408 0.288819 0.353946 O\n0.106999 0.739769 0.844953 O\n0.606999 0.760231 0.155047 O\n0.893001 0.239769 0.655047 O\n0.393001 0.260231 0.344953 O\n0.487762 0.772323 0.614936 O\n0.987762 0.727677 0.385064 O\n0.512238 0.272323 0.885064 O\n0.012238 0.227677 0.114936 O\n0.597644 0.601202 0.566349 O\n0.097644 0.898798 0.433651 O\n0.402356 0.101202 0.933651 O\n0.902356 0.398798 0.066349 O\n0.085701 0.484177 0.508892 O\n0.585701 0.015823 0.491108 O\n0.914299 0.984177 0.991108 O\n0.414299 0.515823 0.008892 O\n0.323205 0.379963 0.571613 O\n0.823205 0.120037 0.428387 O\n0.676795 0.879963 0.928387 O\n0.176795 0.620037 0.071613 O\n","nsites":64,"nelements":4,"elements":["K","Co","N","O"],"chemical_system":"Co-K-N-O","density":2.017825434488286,"density_atomic":0.06270455309224011,"volume":1020.659534975941,"volume_molar":9.60399279322072,"formula_full":"K4 Co4 N24 O32","formula_reduced":"KCo(N3O4)2","formula_anonymous":"ABC6D8","energy":-403.22072231,"energy_per_atom":-6.30032378609375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.68472231,"band_gap":0.7653000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.7819517,"is_theoretical":false,"updated_at":"2021-11-28T01:39:44.745000Z","spacegroup":19},{"id":"mp-1071848","created_at":"2022-09-04T14:48:27.057426Z","structure_string":"Pr4 Sb2\n1.0\n-2.308436 2.308436 8.972169\n2.308436 -2.308436 8.972169\n2.308436 2.308436 -8.972169\nPr Sb\n4 2\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.679836 0.679836 0.000000 Pr\n0.320164 0.320164 0.000000 Pr\n0.862024 0.862024 0.000000 Sb\n0.137976 0.137976 0.000000 Sb\n","nsites":6,"nelements":2,"elements":["Pr","Sb"],"chemical_system":"Pr-Sb","density":7.008265685407553,"density_atomic":0.03137315077676005,"volume":191.24633170234708,"volume_molar":19.195205489086412,"formula_full":"Pr4 Sb2","formula_reduced":"Pr2Sb","formula_anonymous":"AB2","energy":-32.87105319,"energy_per_atom":-5.478508864999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.48705319,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.58e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:39:20.164000Z","spacegroup":139},{"id":"mp-1245122","created_at":"2022-09-04T14:48:27.085477Z","structure_string":"Zn50 S50\n1.0\n12.730745 0.127760 0.158478\n0.142963 13.291043 -0.625080\n0.140836 -0.659159 13.926264\nZn S\n50 50\ndirect\n0.328141 0.708752 0.206978 Zn\n0.388513 0.409728 0.481451 Zn\n0.934369 0.912290 0.733378 Zn\n0.621943 0.158444 0.072305 Zn\n0.282255 0.015606 0.424177 Zn\n0.598980 0.949174 0.948368 Zn\n0.770053 0.176124 0.360548 Zn\n0.075090 0.172886 0.312345 Zn\n0.767928 0.464953 0.753362 Zn\n0.814308 0.924948 0.205595 Zn\n0.498677 0.238527 0.868620 Zn\n0.720134 0.667371 0.927030 Zn\n0.200013 0.392542 0.660695 Zn\n0.840552 0.974831 0.977019 Zn\n0.721105 0.765267 0.729441 Zn\n0.715230 0.449618 0.075275 Zn\n0.484286 0.564549 0.015096 Zn\n0.066920 0.098107 0.782391 Zn\n0.206635 0.159297 0.979403 Zn\n0.994198 0.668592 0.835157 Zn\n0.290399 0.928504 0.032024 Zn\n0.171365 0.880720 0.883952 Zn\n0.621517 0.295717 0.574002 Zn\n0.271562 0.823923 0.565947 Zn\n0.901309 0.774926 0.490081 Zn\n0.105718 0.848449 0.051374 Zn\n0.573647 0.416899 0.873043 Zn\n0.964920 0.170102 0.599925 Zn\n0.767218 0.174416 0.799431 Zn\n0.493544 0.336026 0.719824 Zn\n0.781374 0.507325 0.511286 Zn\n0.333890 0.140990 0.733686 Zn\n0.009123 0.118026 0.151891 Zn\n0.439676 0.153493 0.104293 Zn\n0.325494 0.648748 0.736372 Zn\n0.366465 0.740145 0.888696 Zn\n0.716199 0.011635 0.556619 Zn\n0.267060 0.598694 0.415733 Zn\n0.165567 0.586534 0.000047 Zn\n0.206934 0.030691 0.265129 Zn\n0.918963 0.629899 0.132888 Zn\n0.604761 0.904192 0.391102 Zn\n0.273760 0.389520 0.876812 Zn\n0.148866 0.778082 0.323299 Zn\n0.043621 0.599131 0.594199 Zn\n0.895608 0.381433 0.291975 Zn\n0.984198 0.378463 0.806845 Zn\n0.035786 0.368677 0.071646 Zn\n0.423366 0.217048 0.591201 Zn\n0.460090 0.693670 0.443465 Zn\n0.451295 0.863839 0.982339 S\n0.847419 0.222471 0.213256 S\n0.922698 0.603502 0.479508 S\n0.224478 0.044998 0.837325 S\n0.194335 0.613447 0.272094 S\n0.900551 0.054779 0.839541 S\n0.210604 0.860209 0.187379 S\n0.870623 0.766636 0.261528 S\n0.532048 0.972633 0.539150 S\n0.077824 0.251524 0.713662 S\n0.023936 0.693253 0.006318 S\n0.735439 0.840470 0.886846 S\n0.066059 0.801642 0.764594 S\n0.545431 0.406911 0.040899 S\n0.827231 0.627394 0.781780 S\n0.981244 0.480831 0.191185 S\n0.960855 0.955418 0.098205 S\n0.724850 0.290326 0.137295 S\n0.443298 0.730189 0.610452 S\n0.108127 0.434873 0.935943 S\n0.583962 0.739503 0.330800 S\n0.812551 0.348191 0.855119 S\n0.274127 0.088651 0.116242 S\n0.977288 0.841555 0.358357 S\n0.343968 0.269393 0.958141 S\n0.213854 -0.000468 0.590853 S\n0.505311 0.738890 0.199677 S\n0.640274 0.302556 0.398927 S\n0.434333 0.522888 0.387012 S\n0.061016 0.508742 0.722003 S\n0.751648 0.614306 0.077359 S\n0.623306 0.118122 0.890379 S\n0.599279 0.781468 0.611365 S\n0.047810 0.003000 0.602923 S\n0.905236 0.253704 0.473999 S\n0.024055 0.325638 0.400495 S\n0.814431 0.871103 0.612460 S\n0.701330 0.998562 0.092973 S\n0.272535 0.302314 0.522912 S\n0.215457 0.653310 0.576292 S\n0.564029 0.594296 0.868177 S\n0.311514 0.825646 0.404143 S\n0.765032 0.166314 0.628153 S\n0.324564 0.646337 0.034304 S\n0.725864 0.429613 0.365040 S\n0.749956 0.003259 0.366356 S\n0.454103 0.087861 0.465770 S\n0.667142 0.463832 0.623854 S\n0.344914 0.456993 0.747121 S\n0.035025 0.206060 0.018499 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.4429827470070293,"density_atomic":0.04254288680857062,"volume":2350.5692138375093,"volume_molar":14.15545867185202,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-336.15386031,"energy_per_atom":-3.3615386031,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-311.00386031,"band_gap":1.2726000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:35.413000Z","spacegroup":1},{"id":"mp-11507","created_at":"2022-09-04T14:48:27.371859Z","structure_string":"Ni4 Mo1\n1.0\n-2.860450 2.860450 1.777831\n2.860450 -2.860450 1.777831\n2.860451 2.860450 -1.777831\nNi Mo\n4 1\ndirect\n0.599338 0.801590 0.400927 Ni\n0.400662 0.198410 0.599073 Ni\n0.198410 0.599338 0.797748 Ni\n0.801590 0.400662 0.202252 Ni\n0.000000 0.000000 0.000000 Mo\n","nsites":5,"nelements":2,"elements":["Ni","Mo"],"chemical_system":"Mo-Ni","density":9.438041632953182,"density_atomic":0.08593117312385407,"volume":58.18610194921248,"volume_molar":7.008097924277358,"formula_full":"Ni4 Mo1","formula_reduced":"Ni4Mo","formula_anonymous":"AB4","energy":-34.38049021,"energy_per_atom":-6.876098042,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.38049021,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0085497,"is_theoretical":false,"updated_at":"2021-11-28T01:39:48.375000Z","spacegroup":87},{"id":"mp-1112129","created_at":"2022-09-04T14:48:27.412677Z","structure_string":"Cs2 Rb1 Bi1 Cl6\n1.0\n0.000000 5.856959 5.856959\n5.856959 0.000000 5.856959\n5.856959 5.856959 0.000000\nCs Rb Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.767697 0.232303 0.232303 Cl\n0.232303 0.232303 0.767697 Cl\n0.232303 0.767697 0.767697 Cl\n0.232303 0.767697 0.232303 Cl\n0.767697 0.232303 0.767697 Cl\n0.767697 0.767697 0.232303 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Rb","Bi","Cl"],"chemical_system":"Bi-Cl-Cs-Rb","density":3.1942520347626333,"density_atomic":0.02488590578988456,"volume":401.8338767506195,"volume_molar":24.199001679287225,"formula_full":"Cs2 Rb1 Bi1 Cl6","formula_reduced":"Cs2RbBiCl6","formula_anonymous":"ABC2D6","energy":-37.53247951,"energy_per_atom":-3.753247951,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.84847951,"band_gap":4.131600000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0035806,"is_theoretical":true,"updated_at":"2021-11-28T01:39:24.760000Z","spacegroup":225}]}