{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=20","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=18","results":[{"id":"mp-1521713","created_at":"2022-09-04T14:48:30.882504Z","structure_string":"Na1 La1 Tb1 Co1 O6\n1.0\n-0.000000 -4.014211 -4.014211\n4.014211 -0.000000 -4.014211\n4.014211 -4.014211 0.000000\nNa La Tb Co O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Tb\n0.000000 -0.000000 -0.000000 Co\n0.771197 0.228803 0.228803 O\n0.228803 0.771197 0.771197 O\n0.771197 0.228803 0.771197 O\n0.228803 0.771197 0.228803 O\n0.771197 0.771197 0.228803 O\n0.228803 0.228803 0.771197 O\n","nsites":10,"nelements":5,"elements":["Na","La","Tb","Co","O"],"chemical_system":"Co-La-Na-O-Tb","density":6.1065719280735244,"density_atomic":0.07729820594875143,"volume":129.3691086003986,"volume_molar":7.790789819873269,"formula_full":"Na1 La1 Tb1 Co1 O6","formula_reduced":"NaLaTbCoO6","formula_anonymous":"ABCDE6","energy":-71.57633227000001,"energy_per_atom":-7.157633227000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.81633227,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9935354,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.012000Z","spacegroup":216},{"id":"mp-1207563","created_at":"2022-09-04T14:48:30.848844Z","structure_string":"Yb4 Mo4 O20\n1.0\n12.784248 0.000000 0.000000\n0.000000 5.382963 0.000000\n0.000000 3.315678 6.308496\nYb Mo O\n4 4 20\ndirect\n0.558483 0.659562 0.229335 Yb\n0.441517 0.340438 0.770665 Yb\n0.058483 0.340438 0.270665 Yb\n0.941517 0.659562 0.729335 Yb\n0.859161 0.911137 0.137930 Mo\n0.140839 0.088863 0.862070 Mo\n0.359161 0.088863 0.362070 Mo\n0.640839 0.911137 0.637930 Mo\n0.926274 0.523087 0.447747 O\n0.073726 0.476913 0.552253 O\n0.426274 0.476913 0.052253 O\n0.573726 0.523087 0.947747 O\n0.428012 0.017997 0.156439 O\n0.571988 0.982003 0.843561 O\n0.928012 0.982003 0.343561 O\n0.071988 0.017997 0.656439 O\n0.933262 0.699698 0.042769 O\n0.066738 0.300302 0.957231 O\n0.433262 0.300302 0.457231 O\n0.566738 0.699698 0.542769 O\n0.730003 0.792471 0.209131 O\n0.269997 0.207529 0.790869 O\n0.230003 0.207529 0.290869 O\n0.769997 0.792471 0.709131 O\n0.152677 0.755717 0.083397 O\n0.847323 0.244283 0.916603 O\n0.652677 0.244283 0.416603 O\n0.347323 0.755717 0.583397 O\n","nsites":28,"nelements":3,"elements":["Yb","Mo","O"],"chemical_system":"Mo-O-Yb","density":5.339289633400046,"density_atomic":0.06449642130942415,"volume":434.13261436117335,"volume_molar":9.337170400677799,"formula_full":"Yb4 Mo4 O20","formula_reduced":"YbMoO5","formula_anonymous":"ABC5","energy":-207.76319009,"energy_per_atom":-7.420113931785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.21519009,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0018668,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.381000Z","spacegroup":14},{"id":"mp-756606","created_at":"2022-09-04T14:48:30.845493Z","structure_string":"Li4 Fe5 Cu3 O16\n1.0\n5.912868 0.037697 0.039392\n-2.924408 5.066709 0.000296\n0.062943 0.037814 9.501970\nLi Fe Cu O\n4 5 3 16\ndirect\n0.320122 0.660322 0.895363 Li\n0.000428 0.000302 0.996923 Li\n0.012799 0.006210 0.492986 Li\n0.673641 0.336815 0.393406 Li\n0.342069 0.670968 0.491140 Fe\n0.657024 0.828624 0.214413 Fe\n0.655602 0.327938 0.990543 Fe\n0.831094 0.661586 0.715554 Fe\n0.831116 0.169466 0.715521 Fe\n0.169200 0.829290 0.212872 Cu\n0.169375 0.340163 0.212818 Cu\n0.342272 0.171203 0.711450 Cu\n0.166987 0.833885 0.596376 O\n0.044698 0.522197 0.341034 O\n0.322569 0.661396 0.107278 O\n0.008562 0.004099 0.302644 O\n0.015475 0.007627 0.807958 O\n0.167428 0.332590 0.596430 O\n0.493132 0.965868 0.342601 O\n0.493608 0.527659 0.342646 O\n0.319050 0.159577 0.099142 O\n0.679160 0.839494 0.600238 O\n0.514897 0.482129 0.842858 O\n0.514417 0.033148 0.842720 O\n0.663030 0.331516 0.603824 O\n0.816073 0.665176 0.098707 O\n0.960527 0.480247 0.841787 O\n0.815643 0.150805 0.098607 O\n","nsites":28,"nelements":4,"elements":["Li","Fe","Cu","O"],"chemical_system":"Cu-Fe-Li-O","density":4.380189107711983,"density_atomic":0.0980055967912803,"volume":285.69796947036394,"volume_molar":6.144690667845408,"formula_full":"Li4 Fe5 Cu3 O16","formula_reduced":"Li4Fe5Cu3O16","formula_anonymous":"A3B4C5D16","energy":-181.81069305,"energy_per_atom":-6.4932390374999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.53869305,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.0993841,"is_theoretical":true,"updated_at":"2021-11-28T01:40:02.033000Z","spacegroup":8},{"id":"mp-778168","created_at":"2022-09-04T14:48:30.845039Z","structure_string":"Li2 V4 P4 H2 O18\n1.0\n6.779621 0.000000 0.000000\n0.000000 6.478204 0.000000\n0.000000 2.788764 8.299836\nLi V P H O\n2 4 4 2 18\ndirect\n0.250000 0.097992 0.168237 Li\n0.750000 0.902008 0.831763 Li\n0.250000 0.477488 0.707653 V\n0.750000 0.522512 0.292347 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.250000 0.921433 0.801484 P\n0.750000 0.584857 0.658662 P\n0.250000 0.415143 0.341338 P\n0.750000 0.078567 0.198516 P\n0.750000 0.039374 0.463406 H\n0.250000 0.960626 0.536594 H\n0.439281 0.831255 0.895501 O\n0.060719 0.831255 0.895501 O\n0.750000 0.833230 0.618148 O\n0.250000 0.834713 0.645532 O\n0.750000 0.833599 0.262705 O\n0.250000 0.411364 0.955557 O\n0.560451 0.488620 0.763900 O\n0.939549 0.488620 0.763900 O\n0.250000 0.517151 0.477395 O\n0.750000 0.482849 0.522605 O\n0.439549 0.511380 0.236100 O\n0.060451 0.511380 0.236100 O\n0.750000 0.588636 0.044443 O\n0.250000 0.166401 0.737295 O\n0.750000 0.165287 0.354468 O\n0.250000 0.166770 0.381852 O\n0.939281 0.168745 0.104499 O\n0.560719 0.168745 0.104499 O\n","nsites":30,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":2.87690818882226,"density_atomic":0.0822984597905649,"volume":364.5268705677448,"volume_molar":7.317440417870869,"formula_full":"Li2 V4 P4 H2 O18","formula_reduced":"LiV2P2HO9","formula_anonymous":"ABC2D2E9","energy":-232.80505618,"energy_per_atom":-7.760168539333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.63905618,"band_gap":0.8733999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.625000Z","spacegroup":11},{"id":"mp-755485","created_at":"2022-09-04T14:48:30.840721Z","structure_string":"Li4 Mn4 P4 O16\n1.0\n-0.000517 -0.000012 5.212092\n10.923321 -0.001776 -0.000992\n-0.001508 8.465809 -0.000026\nLi Mn P O\n4 4 4 16\ndirect\n0.055423 0.247381 0.301960 Li\n0.555272 0.252596 0.801706 Li\n0.055212 0.747562 0.198318 Li\n0.555219 0.752523 0.698190 Li\n0.036339 0.381422 0.649658 Mn\n0.036513 0.881434 0.850416 Mn\n0.536641 0.118709 0.149490 Mn\n0.536395 0.618402 0.350230 Mn\n0.030812 0.181572 0.944831 P\n0.530807 0.318443 0.444837 P\n0.030682 0.681409 0.555119 P\n0.530816 0.818592 0.055204 P\n0.959371 0.062437 0.858367 O\n0.459465 0.437409 0.358081 O\n0.959235 0.562384 0.641703 O\n0.459602 0.937703 0.141762 O\n0.912154 0.180539 0.114897 O\n0.412076 0.319724 0.614892 O\n0.911924 0.680226 0.385071 O\n0.412085 0.819680 0.885132 O\n0.326175 0.198706 0.961497 O\n0.826134 0.301337 0.461661 O\n0.326051 0.698467 0.538358 O\n0.826155 0.801435 0.038447 O\n0.411614 0.209575 0.350647 O\n0.911535 0.290243 0.850459 O\n0.411524 0.709900 0.149580 O\n0.911565 0.790191 0.649488 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.161521302454532,"density_atomic":0.05809286730465852,"volume":481.98688236816736,"volume_molar":10.366403036052377,"formula_full":"Li4 Mn4 P4 O16","formula_reduced":"LiMnPO4","formula_anonymous":"ABCD4","energy":-217.50161046,"energy_per_atom":-7.767914659285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-199.83761046,"band_gap":3.4347,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.934000Z","spacegroup":33},{"id":"mp-690550","created_at":"2022-09-04T14:48:30.839941Z","structure_string":"Co14 Ru4 O24\n1.0\n5.962257 0.000000 0.000000\n-0.247004 5.971608 0.000000\n-2.611356 -2.645646 12.461401\nCo Ru O\n14 4 24\ndirect\n0.056888 0.296735 0.591737 Co\n0.164057 0.155165 0.832325 Co\n0.497458 0.510460 0.499356 Co\n0.374971 0.610789 0.244879 Co\n0.156022 0.173737 0.333234 Co\n0.835259 0.835977 0.167903 Co\n0.702839 0.966783 0.917988 Co\n0.839023 0.335182 0.169261 Co\n0.513320 0.495040 0.001975 Co\n0.292465 0.066129 0.091352 Co\n0.831552 0.832890 0.665974 Co\n0.606030 0.371185 0.741276 Co\n0.332516 0.833550 0.666944 Co\n0.966105 0.703486 0.415244 Co\n0.507275 0.008979 0.490012 Ru\n0.657592 0.164207 0.341422 Ru\n0.156468 0.659312 0.843702 Ru\n0.009563 0.506690 0.992175 Ru\n0.093800 0.064996 0.677781 O\n0.733552 0.285207 0.502022 O\n0.581401 0.065304 0.648204 O\n0.412483 0.396062 0.343660 O\n0.270525 0.254579 0.489883 O\n0.059529 0.106597 0.178973 O\n0.062607 0.567210 0.154447 O\n0.770547 0.274488 0.012096 O\n0.919401 0.385105 0.326616 O\n0.771218 0.731503 0.001685 O\n0.621351 0.568409 0.166533 O\n0.608728 0.104419 0.181243 O\n0.385081 0.409607 0.837967 O\n0.380089 0.922634 0.836886 O\n0.265014 0.747757 0.005184 O\n0.084723 0.601731 0.684540 O\n0.237106 0.264154 0.987219 O\n0.940588 0.912818 0.834196 O\n0.929219 0.383636 0.830848 O\n0.723750 0.750665 0.496958 O\n0.569707 0.600804 0.653992 O\n0.383212 0.938324 0.328211 O\n0.286992 0.745775 0.496926 O\n0.914292 0.950177 0.335329 O\n","nsites":42,"nelements":3,"elements":["Co","Ru","O"],"chemical_system":"Co-O-Ru","density":6.038145042774922,"density_atomic":0.09466303744237071,"volume":443.6789810972303,"volume_molar":6.361660181954524,"formula_full":"Co14 Ru4 O24","formula_reduced":"Co7(RuO6)2","formula_anonymous":"A2B7C12","energy":-309.1290617,"energy_per_atom":-7.360215754761906,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-269.7090617,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":38.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:39:59.483000Z","spacegroup":1},{"id":"mp-1205965","created_at":"2022-09-04T14:48:30.833131Z","structure_string":"Zr6 Co1 Te2\n1.0\n0.000000 0.000000 -3.659377\n-3.885897 -6.730571 0.000000\n-3.885897 6.730571 0.000000\nZr Co Te\n6 1 2\ndirect\n0.500000 0.762543 0.762543 Zr\n0.500000 0.000000 0.237457 Zr\n0.500000 0.237457 0.000000 Zr\n0.000000 0.405701 0.405701 Zr\n0.000000 0.000000 0.594299 Zr\n0.000000 0.594299 0.000000 Zr\n0.000000 0.000000 0.000000 Co\n0.500000 0.666667 0.333333 Te\n0.500000 0.333333 0.666667 Te\n","nsites":9,"nelements":3,"elements":["Zr","Co","Te"],"chemical_system":"Co-Te-Zr","density":7.473302093323091,"density_atomic":0.04701778489585259,"volume":191.41692914575998,"volume_molar":12.808218790696813,"formula_full":"Zr6 Co1 Te2","formula_reduced":"Zr6CoTe2","formula_anonymous":"AB2C6","energy":-70.68095018999999,"energy_per_atom":-7.853438909999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.83695019,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023288,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.422000Z","spacegroup":189},{"id":"mp-20028","created_at":"2022-09-04T14:48:30.830839Z","structure_string":"Fe4 B4 Pb4 O16\n1.0\n6.032300 0.000000 0.000000\n0.000000 7.097862 0.000000\n0.000000 0.000000 8.564924\nFe B Pb O\n4 4 4 16\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.250000 0.780359 0.734082 B\n0.250000 0.280359 0.765918 B\n0.750000 0.719641 0.234082 B\n0.750000 0.219641 0.265918 B\n0.250000 0.561448 0.147285 Pb\n0.750000 0.438552 0.852715 Pb\n0.250000 0.061448 0.352715 Pb\n0.750000 0.938552 0.647285 Pb\n0.050838 0.330208 0.694894 O\n0.550838 0.669792 0.305106 O\n0.449162 0.830208 0.805106 O\n0.949162 0.169792 0.194894 O\n0.250000 0.185598 0.908106 O\n0.750000 0.314402 0.408106 O\n0.750000 0.814402 0.091894 O\n0.250000 0.685598 0.591894 O\n0.250000 0.893965 0.114728 O\n0.750000 0.106035 0.885272 O\n0.250000 0.393965 0.385272 O\n0.750000 0.606035 0.614728 O\n0.050838 0.830208 0.805106 O\n0.550838 0.169792 0.194894 O\n0.449162 0.330208 0.694894 O\n0.949162 0.669792 0.305106 O\n","nsites":28,"nelements":4,"elements":["Fe","B","Pb","O"],"chemical_system":"B-Fe-O-Pb","density":6.119326740035644,"density_atomic":0.07635263587057577,"volume":366.71949410446535,"volume_molar":7.8872729033324305,"formula_full":"Fe4 B4 Pb4 O16","formula_reduced":"FeBPbO4","formula_anonymous":"ABCD4","energy":-213.01875982,"energy_per_atom":-7.607812850714287,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.00275982,"band_gap":1.9067000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0036463,"is_theoretical":false,"updated_at":"2021-11-28T01:39:56.509000Z","spacegroup":62},{"id":"mp-1237561","created_at":"2022-09-04T14:48:30.829733Z","structure_string":"Y2 Tc4 Cl16 O18\n1.0\n11.856872 0.000000 0.000000\n0.000000 7.078114 0.000000\n0.000000 1.223038 11.484336\nY Tc Cl O\n2 4 16 18\ndirect\n0.153659 0.037984 0.802108 Y\n0.653659 0.962016 0.197892 Y\n0.992414 0.448039 0.223688 Tc\n0.492414 0.551961 0.776312 Tc\n0.958669 0.751509 0.225586 Tc\n0.458669 0.248491 0.774414 Tc\n0.066408 0.363070 0.404660 Cl\n0.896543 0.355538 0.067954 Cl\n0.566408 0.636930 0.595340 Cl\n0.396543 0.644462 0.932046 Cl\n0.338214 0.726428 0.661636 Cl\n0.662533 0.553845 0.865398 Cl\n0.162533 0.446155 0.134602 Cl\n0.838214 0.273572 0.338364 Cl\n0.808763 0.759643 0.356348 Cl\n0.104506 0.912006 0.107722 Cl\n0.308763 0.240357 0.643652 Cl\n0.604506 0.087994 0.892278 Cl\n0.326043 0.178285 0.927702 Cl\n0.582848 0.164874 0.637175 Cl\n0.082848 0.835126 0.362825 Cl\n0.826043 0.821715 0.072298 Cl\n0.833594 0.005669 0.659319 O\n0.231973 0.793517 0.734902 O\n0.333594 0.994331 0.340681 O\n0.731973 0.206483 0.265098 O\n0.077868 0.956167 0.970022 O\n0.911217 0.998740 0.588702 O\n0.411217 0.001260 0.411298 O\n0.577868 0.043833 0.029978 O\n0.997358 0.718044 0.764332 O\n0.012420 0.600980 0.850781 O\n0.497358 0.281956 0.235668 O\n0.512420 0.399020 0.149219 O\n0.052390 0.253860 0.713231 O\n0.942065 0.352610 0.738561 O\n0.442065 0.647390 0.261439 O\n0.552390 0.746140 0.286769 O\n0.915513 0.479346 0.658835 O\n0.415513 0.520654 0.341165 O\n","nsites":40,"nelements":4,"elements":["Y","Tc","Cl","O"],"chemical_system":"Cl-O-Tc-Y","density":2.455191036262184,"density_atomic":0.0415017506225104,"volume":963.8147644380125,"volume_molar":14.510570445029883,"formula_full":"Y2 Tc4 Cl16 O18","formula_reduced":"YTc2Cl8O9","formula_anonymous":"AB2C8D9","energy":-198.18363752,"energy_per_atom":-4.954590938,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.28563752,"band_gap":0.5388000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0010356,"is_theoretical":true,"updated_at":"2021-11-28T01:39:48.878000Z","spacegroup":4},{"id":"mp-977110","created_at":"2022-09-04T14:48:30.825016Z","structure_string":"Na1 Sn1 Pd2\n1.0\n0.000000 3.288059 3.288059\n3.288059 0.000000 3.288059\n3.288059 3.288059 0.000000\nNa Sn Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n","nsites":4,"nelements":3,"elements":["Na","Sn","Pd"],"chemical_system":"Na-Pd-Sn","density":8.280665740599128,"density_atomic":0.05626148490467103,"volume":71.09659488684959,"volume_molar":10.703842549132611,"formula_full":"Na1 Sn1 Pd2","formula_reduced":"NaSnPd2","formula_anonymous":"ABC2","energy":-17.33473628,"energy_per_atom":-4.33368407,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.33473628,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001154,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.601000Z","spacegroup":225},{"id":"mp-1102917","created_at":"2022-09-04T14:48:30.822304Z","structure_string":"Eu4 As4 S4\n1.0\n3.899005 0.000000 0.000000\n0.000000 4.047949 0.000000\n0.000000 0.000000 17.847413\nEu As S\n4 4 4\ndirect\n0.250000 0.218008 0.157266 Eu\n0.250000 0.281992 0.657266 Eu\n0.750000 0.781992 0.842734 Eu\n0.750000 0.718008 0.342734 Eu\n0.750000 0.193124 0.496374 As\n0.750000 0.306876 0.996374 As\n0.250000 0.806876 0.503626 As\n0.250000 0.693124 0.003626 As\n0.250000 0.220778 0.318160 S\n0.250000 0.279222 0.818160 S\n0.750000 0.779222 0.681840 S\n0.750000 0.720778 0.181840 S\n","nsites":12,"nelements":3,"elements":["Eu","As","S"],"chemical_system":"As-Eu-S","density":6.106071880684271,"density_atomic":0.04260074049127451,"volume":281.6852444726364,"volume_molar":14.13623493524357,"formula_full":"Eu4 As4 S4","formula_reduced":"EuAsS","formula_anonymous":"ABC","energy":-93.67366991,"energy_per_atom":-7.8061391591666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.66166991,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.9728712,"is_theoretical":false,"updated_at":"2021-11-28T01:40:01.004000Z","spacegroup":62},{"id":"mp-1036238","created_at":"2022-09-04T14:48:30.817048Z","structure_string":"Mg14 Mn1 Bi1 O16\n1.0\n4.412074 0.000000 0.000000\n0.000000 8.754680 0.000000\n0.000000 0.000000 8.839935\nMg Mn Bi O\n14 1 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.763556 0.000000 Mg\n0.500000 0.236444 0.000000 Mg\n0.500000 0.752202 0.500000 Mg\n0.500000 0.247798 0.500000 Mg\n0.500000 0.000000 0.744666 Mg\n0.500000 0.500000 0.734910 Mg\n0.500000 0.000000 0.255334 Mg\n0.500000 0.500000 0.265090 Mg\n0.000000 0.755938 0.739622 Mg\n0.000000 0.244062 0.739622 Mg\n0.000000 0.755938 0.260378 Mg\n0.000000 0.244062 0.260378 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.738813 O\n0.000000 0.500000 0.724237 O\n0.000000 0.000000 0.261187 O\n0.000000 0.500000 0.275763 O\n0.500000 0.749849 0.751158 O\n0.500000 0.250151 0.751158 O\n0.500000 0.749849 0.248842 O\n0.500000 0.250151 0.248842 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.764747 0.000000 O\n0.000000 0.235253 0.000000 O\n0.000000 0.753982 0.500000 O\n0.000000 0.246018 0.500000 O\n","nsites":32,"nelements":4,"elements":["Mg","Mn","Bi","O"],"chemical_system":"Bi-Mg-Mn-O","density":4.183171971429792,"density_atomic":0.09371688444699698,"volume":341.45394598662836,"volume_molar":6.425886643090353,"formula_full":"Mg14 Mn1 Bi1 O16","formula_reduced":"Mg14MnBiO16","formula_anonymous":"ABC14D16","energy":-201.23526818,"energy_per_atom":-6.288602130625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.57526818,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.5117967,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.644000Z","spacegroup":47}]}