{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=116","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=114","results":[{"id":"mp-28551","created_at":"2022-09-04T14:43:11.128872Z","structure_string":"H32 C4 N24\n1.0\n10.456981 0.000000 0.000000\n0.000000 6.447628 0.000000\n0.000000 2.557959 7.102340\nH C N\n32 4 24\ndirect\n0.644656 0.332337 0.938479 H\n0.144656 0.167663 0.061521 H\n0.355344 0.667663 0.061521 H\n0.855344 0.832337 0.938479 H\n0.711565 0.089990 0.050692 H\n0.211565 0.410010 0.949308 H\n0.288435 0.910010 0.949308 H\n0.788435 0.589990 0.050692 H\n0.456859 0.074150 0.144289 H\n0.956859 0.425850 0.855711 H\n0.543141 0.925850 0.855711 H\n0.043141 0.574150 0.144289 H\n0.342307 0.041903 0.494601 H\n0.842307 0.458097 0.505399 H\n0.690801 0.707649 0.270218 H\n0.657693 0.958097 0.505399 H\n0.246361 0.217946 0.343955 H\n0.746361 0.282054 0.656045 H\n0.753639 0.782054 0.656045 H\n0.253639 0.717946 0.343955 H\n0.433702 0.385415 0.435730 H\n0.933702 0.114585 0.564270 H\n0.566298 0.614585 0.564270 H\n0.066298 0.885415 0.435730 H\n0.537172 0.704213 0.235608 H\n0.037172 0.795787 0.764392 H\n0.462828 0.295787 0.764392 H\n0.962828 0.204213 0.235608 H\n0.809199 0.207649 0.270218 H\n0.309199 0.292351 0.729782 H\n0.190801 0.792351 0.729782 H\n0.157693 0.541903 0.494601 H\n0.961889 0.805316 0.235894 C\n0.461889 0.694684 0.764106 C\n0.038111 0.194684 0.764106 C\n0.538111 0.305316 0.235894 C\n0.543967 0.139841 0.157936 N\n0.043967 0.360159 0.842064 N\n0.456033 0.860159 0.842064 N\n0.956033 0.639841 0.157936 N\n0.335237 0.148110 0.358600 N\n0.835237 0.351890 0.641400 N\n0.664763 0.851890 0.641400 N\n0.164763 0.648110 0.358600 N\n0.426188 0.320031 0.328169 N\n0.926188 0.179969 0.671831 N\n0.573812 0.679969 0.671831 N\n0.073812 0.820031 0.328169 N\n0.612363 0.605488 0.303409 N\n0.112363 0.894512 0.696591 N\n0.387637 0.394512 0.696591 N\n0.887637 0.105488 0.303409 N\n0.634390 0.441232 0.216174 N\n0.134390 0.058768 0.783826 N\n0.365610 0.558768 0.783826 N\n0.865610 0.941232 0.216174 N\n0.874294 0.666892 0.000965 N\n0.374294 0.833108 0.999035 N\n0.125706 0.333108 0.999035 N\n0.625706 0.166892 0.000965 N\n","nsites":60,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.4441497271725987,"density_atomic":0.12529781569000395,"volume":478.85910595955187,"volume_molar":4.806261567160294,"formula_full":"H32 C4 N24","formula_reduced":"H8CN6","formula_anonymous":"AB6C8","energy":-353.70356548,"energy_per_atom":-5.895059424666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-345.03956548,"band_gap":3.6266,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002811,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.193000Z","spacegroup":14},{"id":"mp-1226547","created_at":"2022-09-04T14:43:11.087217Z","structure_string":"Ce2 Th2 B16\n1.0\n5.084921 -5.127447 0.000000\n5.084921 5.127447 0.000000\n0.000000 0.000000 4.104390\nCe Th B\n2 2 16\ndirect\n0.685407 0.314593 0.000000 Ce\n0.314593 0.685407 0.000000 Ce\n0.186320 0.186320 0.000000 Th\n0.813680 0.813680 0.000000 Th\n0.000000 0.500000 0.798475 B\n0.500000 0.000000 0.798475 B\n0.000000 0.500000 0.201525 B\n0.500000 0.000000 0.201525 B\n0.824217 0.538059 0.500000 B\n0.175783 0.461941 0.500000 B\n0.325167 0.958879 0.500000 B\n0.674833 0.041121 0.500000 B\n0.041121 0.674833 0.500000 B\n0.958879 0.325167 0.500000 B\n0.461941 0.175783 0.500000 B\n0.538059 0.824217 0.500000 B\n0.911152 0.088848 0.500000 B\n0.088848 0.911152 0.500000 B\n0.410991 0.410991 0.500000 B\n0.589009 0.589009 0.500000 B\n","nsites":20,"nelements":3,"elements":["Ce","Th","B"],"chemical_system":"B-Ce-Th","density":7.116868904701135,"density_atomic":0.09344713463346198,"volume":214.02475397932972,"volume_molar":6.444435972939469,"formula_full":"Ce2 Th2 B16","formula_reduced":"CeThB8","formula_anonymous":"ABC8","energy":-146.55723624,"energy_per_atom":-7.327861812,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.55723624,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001395,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.299000Z","spacegroup":65},{"id":"mp-542812","created_at":"2022-09-04T14:43:11.093172Z","structure_string":"Ga6 Te6\n1.0\n2.075088 9.113168 0.000000\n-2.075088 9.113168 0.000000\n0.000000 3.069406 10.379787\nGa Te\n6 6\ndirect\n0.860982 0.860982 0.415999 Ga\n0.139018 0.139018 0.584001 Ga\n0.761575 0.761575 0.302344 Ga\n0.238425 0.238425 0.697656 Ga\n0.436989 0.436989 0.082876 Ga\n0.563011 0.563011 0.917124 Ga\n0.846830 0.846830 0.054151 Te\n0.153170 0.153170 0.945849 Te\n0.836869 0.836869 0.672782 Te\n0.163131 0.163131 0.327218 Te\n0.456318 0.456318 0.323936 Te\n0.543682 0.543682 0.676064 Te\n","nsites":12,"nelements":2,"elements":["Ga","Te"],"chemical_system":"Ga-Te","density":5.007877822083818,"density_atomic":0.03056728831802983,"volume":392.57653067386786,"volume_molar":19.70125938992075,"formula_full":"Ga6 Te6","formula_reduced":"GaTe","formula_anonymous":"AB","energy":-43.88842382,"energy_per_atom":-3.657368651666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.35642382,"band_gap":1.0066000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0012748,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.518000Z","spacegroup":12},{"id":"mp-1200724","created_at":"2022-09-04T14:43:11.096113Z","structure_string":"Mg8 P8 H112 C4 Cl8 O80\n1.0\n7.878637 0.000000 0.000000\n0.000000 20.715225 0.000000\n-1.682190 0.000000 12.687713\nMg P H C Cl O\n8 8 112 4 8 80\ndirect\n0.425955 0.750000 0.054684 Mg\n0.574045 0.250000 0.945316 Mg\n0.933102 0.750000 0.038841 Mg\n0.066898 0.250000 0.961159 Mg\n0.700063 0.954524 0.209567 Mg\n0.299937 0.454524 0.790433 Mg\n0.299937 0.045476 0.790433 Mg\n0.700063 0.545476 0.209567 Mg\n0.633651 0.826365 0.889085 P\n0.366349 0.326365 0.110915 P\n0.366349 0.173635 0.110915 P\n0.633651 0.673635 0.889085 P\n0.202782 0.826313 0.217204 P\n0.797218 0.326313 0.782796 P\n0.797218 0.173687 0.782796 P\n0.202782 0.673687 0.217204 P\n0.726484 0.788553 0.176619 H\n0.273516 0.288553 0.823381 H\n0.273516 0.211447 0.823381 H\n0.726484 0.711447 0.176619 H\n0.157433 0.788444 0.910253 H\n0.842567 0.288444 0.089747 H\n0.842567 0.211556 0.089747 H\n0.157433 0.711556 0.910253 H\n0.547902 0.842566 0.223920 H\n0.452098 0.342566 0.776080 H\n0.452098 0.157434 0.776080 H\n0.547902 0.657434 0.223920 H\n0.697203 0.846068 0.324191 H\n0.302797 0.346068 0.675809 H\n0.302797 0.153932 0.675809 H\n0.697203 0.653932 0.324191 H\n0.404593 0.938378 0.305649 H\n0.595407 0.438378 0.694351 H\n0.595407 0.061622 0.694351 H\n0.404593 0.561622 0.305649 H\n0.479574 0.006485 0.343553 H\n0.520426 0.506485 0.656447 H\n0.520426 0.993515 0.656447 H\n0.479574 0.493515 0.343553 H\n0.583245 0.077372 0.186428 H\n0.416755 0.577372 0.813572 H\n0.416755 0.922628 0.813572 H\n0.583245 0.422628 0.186428 H\n0.784394 0.081677 0.179786 H\n0.215606 0.581677 0.820214 H\n0.215606 0.918323 0.820214 H\n0.784394 0.418323 0.179786 H\n0.939387 0.895455 0.110387 H\n0.060613 0.395455 0.889613 H\n0.060613 0.104545 0.889613 H\n0.939387 0.604545 0.110387 H\n0.850288 0.952762 0.036736 H\n0.149712 0.452762 0.963264 H\n0.149712 0.047238 0.963264 H\n0.850288 0.547238 0.036736 H\n0.493601 0.897878 0.044274 H\n0.506399 0.397878 0.955726 H\n0.506399 0.102122 0.955726 H\n0.493601 0.602122 0.044274 H\n0.400313 0.962215 0.077208 H\n0.599687 0.462215 0.922792 H\n0.599687 0.037785 0.922792 H\n0.400313 0.537785 0.077208 H\n0.890700 0.950736 0.403453 H\n0.109300 0.450736 0.596547 H\n0.109300 0.049264 0.596547 H\n0.890700 0.549264 0.403453 H\n0.010265 0.929740 0.315831 H\n0.989735 0.429740 0.684169 H\n0.989735 0.070260 0.684169 H\n0.010265 0.570260 0.315831 H\n0.591829 0.888890 0.676047 H\n0.408171 0.388890 0.323953 H\n0.408171 0.111110 0.323953 H\n0.591829 0.611110 0.676047 H\n0.459664 0.898879 0.566574 H\n0.540336 0.398879 0.433426 H\n0.540336 0.101121 0.433426 H\n0.459664 0.601121 0.566574 H\n0.971370 0.850892 0.862640 H\n0.028630 0.350892 0.137360 H\n0.028630 0.149108 0.137360 H\n0.971370 0.649108 0.862640 H\n0.054878 0.841569 0.755781 H\n0.945122 0.341569 0.244219 H\n0.945122 0.158431 0.244219 H\n0.054878 0.658431 0.755781 H\n0.881256 0.006263 0.886909 H\n0.118744 0.506263 0.113091 H\n0.118744 0.993737 0.113091 H\n0.881256 0.493737 0.886909 H\n0.736534 0.950342 0.870208 H\n0.263466 0.450342 0.129792 H\n0.263466 0.049658 0.129792 H\n0.736534 0.549658 0.870208 H\n0.738645 0.948233 0.556077 H\n0.261355 0.448233 0.443923 H\n0.261355 0.051767 0.443923 H\n0.738645 0.551767 0.556077 H\n0.931643 0.967951 0.588051 H\n0.068357 0.467951 0.411949 H\n0.068357 0.032049 0.411949 H\n0.931643 0.532049 0.588051 H\n0.637747 0.796390 0.455733 H\n0.362253 0.296390 0.544267 H\n0.362253 0.203610 0.544267 H\n0.637747 0.703610 0.455733 H\n0.693800 0.858487 0.513466 H\n0.306200 0.358487 0.486534 H\n0.306200 0.141513 0.486534 H\n0.693800 0.641513 0.513466 H\n0.224481 0.944398 0.497796 H\n0.775519 0.444398 0.502204 H\n0.775519 0.055602 0.502204 H\n0.224481 0.555602 0.497796 H\n0.248949 0.885171 0.426011 H\n0.751051 0.385171 0.573989 H\n0.751051 0.114829 0.573989 H\n0.248949 0.614829 0.426011 H\n0.128892 0.849222 0.579580 H\n0.871108 0.349222 0.420420 H\n0.871108 0.150778 0.420420 H\n0.128892 0.650778 0.579580 H\n0.949671 0.815491 0.568854 H\n0.050329 0.315491 0.431146 H\n0.050329 0.184509 0.431146 H\n0.949671 0.684509 0.568854 H\n0.595154 0.750000 0.809812 C\n0.404846 0.250000 0.190188 C\n0.191866 0.750000 0.296295 C\n0.808134 0.250000 0.703705 C\n0.384163 0.750000 0.739311 Cl\n0.615837 0.250000 0.260689 Cl\n0.746736 0.750000 0.716346 Cl\n0.253264 0.250000 0.283654 Cl\n0.373045 0.750000 0.402046 Cl\n0.626955 0.250000 0.597954 Cl\n0.005777 0.750000 0.360019 Cl\n0.994223 0.250000 0.639981 Cl\n0.714650 0.750000 0.128939 O\n0.285350 0.250000 0.871061 O\n0.169675 0.750000 0.959386 O\n0.830325 0.250000 0.040614 O\n0.672652 0.854238 0.247050 O\n0.327348 0.354238 0.752950 O\n0.327348 0.145762 0.752950 O\n0.672652 0.645762 0.247050 O\n0.512360 0.963395 0.321077 O\n0.487640 0.463395 0.678923 O\n0.487640 0.036605 0.678923 O\n0.512360 0.536605 0.321077 O\n0.692251 0.052088 0.196512 O\n0.307749 0.552088 0.803488 O\n0.307749 0.947912 0.803488 O\n0.692251 0.447912 0.196512 O\n0.893773 0.940611 0.111067 O\n0.106227 0.440611 0.888933 O\n0.106227 0.059389 0.888933 O\n0.893773 0.559389 0.111067 O\n0.511690 0.939198 0.083000 O\n0.488310 0.439198 0.917000 O\n0.488310 0.060802 0.917000 O\n0.511690 0.560802 0.083000 O\n0.913008 0.957567 0.329600 O\n0.086992 0.457567 0.670400 O\n0.086992 0.042433 0.670400 O\n0.913008 0.542433 0.329600 O\n0.502735 0.825120 0.968136 O\n0.497265 0.325120 0.031864 O\n0.497265 0.174880 0.031864 O\n0.502735 0.674880 0.968136 O\n0.820590 0.821987 0.940947 O\n0.179410 0.321987 0.059053 O\n0.179410 0.178013 0.059053 O\n0.820590 0.678013 0.940947 O\n0.607847 0.884025 0.813004 O\n0.392153 0.384025 0.186996 O\n0.392153 0.115975 0.186996 O\n0.607847 0.615975 0.813004 O\n0.368220 0.818159 0.166595 O\n0.631780 0.318159 0.833405 O\n0.631780 0.181841 0.833405 O\n0.368220 0.681841 0.166595 O\n0.208607 0.884368 0.291835 O\n0.791393 0.384368 0.708165 O\n0.791393 0.115632 0.708165 O\n0.208607 0.615632 0.291835 O\n0.040782 0.823614 0.137016 O\n0.959218 0.323614 0.862984 O\n0.959218 0.176386 0.862984 O\n0.040782 0.676386 0.137016 O\n0.581009 0.904993 0.601630 O\n0.418991 0.404993 0.398370 O\n0.418991 0.095007 0.398370 O\n0.581009 0.595007 0.601630 O\n0.081119 0.853158 0.831874 O\n0.918881 0.353158 0.168126 O\n0.918881 0.146842 0.168126 O\n0.081119 0.646842 0.831874 O\n0.782755 0.987245 0.915424 O\n0.217245 0.487245 0.084576 O\n0.217245 0.012755 0.084576 O\n0.782755 0.512755 0.915424 O\n0.837700 0.969994 0.529748 O\n0.162300 0.469994 0.470252 O\n0.162300 0.030006 0.470252 O\n0.837700 0.530006 0.529748 O\n0.732358 0.827114 0.462681 O\n0.267642 0.327114 0.537319 O\n0.267642 0.172886 0.537319 O\n0.732358 0.672886 0.462681 O\n0.262276 0.898742 0.501822 O\n0.737724 0.398742 0.498178 O\n0.737724 0.101258 0.498178 O\n0.262276 0.601258 0.501822 O\n0.041929 0.831551 0.620793 O\n0.958071 0.331551 0.379207 O\n0.958071 0.168449 0.379207 O\n0.041929 0.668449 0.620793 O\n","nsites":220,"nelements":6,"elements":["Mg","P","H","C","Cl","O"],"chemical_system":"C-Cl-H-Mg-O-P","density":1.7375265139671943,"density_atomic":0.10624257510155591,"volume":2070.7329410050993,"volume_molar":5.6682932941370385,"formula_full":"Mg8 P8 H112 C4 Cl8 O80","formula_reduced":"Mg2P2H28C(ClO10)2","formula_anonymous":"AB2C2D2E20F28","energy":-1215.2840385000002,"energy_per_atom":-5.524018356818183,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1155.4120385,"band_gap":3.8884,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3301782,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.742000Z","spacegroup":11},{"id":"mp-772669","created_at":"2022-09-04T14:43:11.099443Z","structure_string":"Fe3 Co3 P6 O24\n1.0\n7.174308 -4.317354 0.000000\n7.174308 4.317354 0.000000\n4.576212 0.000000 7.012027\nFe Co P O\n3 3 6 24\ndirect\n0.354827 0.354827 0.354827 Fe\n0.144845 0.144845 0.144845 Fe\n0.645196 0.645196 0.645196 Fe\n0.998399 0.998399 0.998399 Co\n0.853640 0.853640 0.853640 Co\n0.500338 0.500338 0.500338 Co\n0.453107 0.750461 0.047248 P\n0.750461 0.047248 0.453107 P\n0.047248 0.453107 0.750461 P\n0.952186 0.548431 0.248902 P\n0.248902 0.952186 0.548431 P\n0.548431 0.248902 0.952186 P\n0.675441 0.892755 0.496326 O\n0.892755 0.496326 0.675441 O\n0.496326 0.675441 0.892755 O\n0.250358 0.903904 0.061971 O\n0.609189 0.824708 0.004074 O\n0.439739 0.595983 0.249779 O\n0.903904 0.061971 0.250358 O\n0.595983 0.249779 0.439739 O\n0.995570 0.392968 0.175240 O\n0.249779 0.439739 0.595983 O\n0.936954 0.750809 0.094335 O\n0.175240 0.995570 0.392968 O\n0.824708 0.004074 0.609189 O\n0.061971 0.250358 0.903904 O\n0.749357 0.563742 0.403252 O\n0.004074 0.609189 0.824708 O\n0.403252 0.749357 0.563742 O\n0.094335 0.936954 0.750808 O\n0.563742 0.403252 0.749357 O\n0.392968 0.175240 0.995570 O\n0.750808 0.094335 0.936954 O\n0.506030 0.322146 0.107815 O\n0.107815 0.506030 0.322146 O\n0.322146 0.107815 0.506030 O\n","nsites":36,"nelements":4,"elements":["Fe","Co","P","O"],"chemical_system":"Co-Fe-O-P","density":3.4946313523157944,"density_atomic":0.08287647064451506,"volume":434.38143202810915,"volume_molar":7.266405908899015,"formula_full":"Fe3 Co3 P6 O24","formula_reduced":"FeCo(PO4)2","formula_anonymous":"ABC2D8","energy":-275.59330122,"energy_per_atom":-7.655369478333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-247.42330122,"band_gap":0.1210999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":26.9871844,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.226000Z","spacegroup":146},{"id":"mp-1235153","created_at":"2022-09-04T14:43:11.100512Z","structure_string":"Ba2 Li1 Tb1 Sn1 O6\n1.0\n4.259133 0.003949 4.261221\n-4.559675 4.559675 0.304254\n-4.563624 0.300542 4.565475\nBa Li Tb Sn O\n2 1 1 1 6\ndirect\n0.754930 0.509447 0.754930 Ba\n0.209812 0.420507 0.209812 Ba\n0.373274 0.741606 0.373274 Li\n0.996594 0.992581 0.996594 Tb\n0.515757 0.031390 0.515757 Sn\n0.265864 0.008286 0.265864 O\n0.746936 0.001701 0.746936 O\n0.266193 0.530248 0.745049 O\n0.746597 0.493658 0.253993 O\n0.253993 0.001054 0.746597 O\n0.745049 0.009104 0.266193 O\n","nsites":11,"nelements":5,"elements":["Ba","Li","Tb","Sn","O"],"chemical_system":"Ba-Li-O-Sn-Tb","density":6.356028115745911,"density_atomic":0.06425956449556407,"volume":171.18074307458693,"volume_molar":9.371586638150525,"formula_full":"Ba2 Li1 Tb1 Sn1 O6","formula_reduced":"Ba2LiTbSnO6","formula_anonymous":"ABCD2E6","energy":-74.85268177,"energy_per_atom":-6.804789251818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.73068177,"band_gap":3.1105,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.109000Z","spacegroup":160},{"id":"mp-1110692","created_at":"2022-09-04T14:43:11.101507Z","structure_string":"Rb3 Sc1 Cl6\n1.0\n0.000000 5.600999 5.600999\n5.600999 0.000000 5.600999\n5.600999 5.600999 0.000000\nRb Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.777071 0.222929 0.222929 Cl\n0.222929 0.222929 0.777071 Cl\n0.222929 0.777071 0.777071 Cl\n0.222929 0.777071 0.222929 Cl\n0.777071 0.222929 0.777071 Cl\n0.777071 0.777071 0.222929 Cl\n","nsites":10,"nelements":3,"elements":["Rb","Sc","Cl"],"chemical_system":"Cl-Rb-Sc","density":2.4291316566289716,"density_atomic":0.02845597816588135,"volume":351.42000537482755,"volume_molar":21.16300738247168,"formula_full":"Rb3 Sc1 Cl6","formula_reduced":"Rb3ScCl6","formula_anonymous":"AB3C6","energy":-44.27126328,"energy_per_atom":-4.427126328,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.58726328,"band_gap":4.081,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.006000Z","spacegroup":225},{"id":"mp-1023148","created_at":"2022-09-04T14:43:11.103687Z","structure_string":"Mg12 Mn2 Fe2\n1.0\n4.809790 0.000000 0.000000\n0.000000 6.058234 0.000000\n0.000000 0.000000 10.634929\nMg Mn Fe\n12 2 2\ndirect\n0.000000 0.262449 0.088583 Mg\n0.000000 0.737551 0.088583 Mg\n0.000000 0.000000 0.333641 Mg\n0.500000 0.739178 0.411266 Mg\n0.500000 0.260822 0.411266 Mg\n0.500000 0.000000 0.166503 Mg\n0.000000 0.762449 0.588583 Mg\n0.000000 0.237551 0.588583 Mg\n0.000000 0.500000 0.833641 Mg\n0.500000 0.239178 0.911266 Mg\n0.500000 0.760822 0.911266 Mg\n0.500000 0.500000 0.666503 Mg\n0.000000 0.500000 0.321019 Mn\n0.000000 0.000000 0.821019 Mn\n0.500000 0.500000 0.179141 Fe\n0.500000 0.000000 0.679141 Fe\n","nsites":16,"nelements":3,"elements":["Mg","Mn","Fe"],"chemical_system":"Fe-Mg-Mn","density":2.750116357900944,"density_atomic":0.05163132005040931,"volume":309.889423403831,"volume_molar":11.66373579858193,"formula_full":"Mg12 Mn2 Fe2","formula_reduced":"Mg6MnFe","formula_anonymous":"ABC6","energy":-51.11035574,"energy_per_atom":-3.19439723375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.11035574,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.1214779,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.605000Z","spacegroup":38},{"id":"mp-1217034","created_at":"2022-09-04T14:43:11.106811Z","structure_string":"U8 Te6 Se6\n1.0\n0.000000 4.041102 0.000000\n0.000000 0.000000 11.377045\n11.816579 0.000000 0.000000\nU Te Se\n8 6 6\ndirect\n0.750000 0.498507 0.672579 U\n0.750000 0.001494 0.172579 U\n0.250000 0.492604 0.309439 U\n0.250000 0.007396 0.809439 U\n0.250000 0.185175 0.498102 U\n0.250000 0.314825 0.998102 U\n0.750000 0.815352 0.520008 U\n0.750000 0.684648 0.020008 U\n0.250000 0.947881 0.370950 Te\n0.250000 0.552119 0.870950 Te\n0.250000 0.290013 0.734343 Te\n0.250000 0.209987 0.234343 Te\n0.750000 0.705108 0.275790 Te\n0.750000 0.794892 0.775790 Te\n0.250000 0.628023 0.540553 Se\n0.250000 0.871977 0.040553 Se\n0.750000 0.369385 0.453507 Se\n0.750000 0.130615 0.953507 Se\n0.750000 0.051009 0.624728 Se\n0.750000 0.448991 0.124728 Se\n","nsites":20,"nelements":3,"elements":["U","Te","Se"],"chemical_system":"Se-Te-U","density":9.608467417057707,"density_atomic":0.03681365555473328,"volume":543.2766645590164,"volume_molar":16.3584427279885,"formula_full":"U8 Te6 Se6","formula_reduced":"U4(TeSe)3","formula_anonymous":"A3B3C4","energy":-153.56501236,"energy_per_atom":-7.678250618,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.20101236,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.2088216,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.212000Z","spacegroup":26},{"id":"mp-13099","created_at":"2022-09-04T14:43:11.108923Z","structure_string":"Y1 N1\n1.0\n0.000000 2.647993 2.647993\n2.647993 0.000000 2.647993\n2.647993 2.647993 0.000000\nY N\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 N\n","nsites":2,"nelements":2,"elements":["Y","N"],"chemical_system":"N-Y","density":4.601897519978835,"density_atomic":0.053857910697936405,"volume":37.13474908481051,"volume_molar":11.181534303800502,"formula_full":"Y1 N1","formula_reduced":"YN","formula_anonymous":"AB","energy":-18.04223826,"energy_per_atom":-9.02111913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.68123826,"band_gap":2.0687,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.219000Z","spacegroup":216},{"id":"mp-19381","created_at":"2022-09-04T14:43:11.115074Z","structure_string":"Dy4 Cr4 O12\n1.0\n5.304931 0.000000 0.000000\n0.000000 5.611948 0.000000\n0.000000 0.000000 7.655280\nDy Cr O\n4 4 12\ndirect\n0.019500 0.931892 0.750000 Dy\n0.519500 0.568108 0.250000 Dy\n0.480500 0.431892 0.750000 Dy\n0.980500 0.068108 0.250000 Dy\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.692356 0.303176 0.441916 O\n0.192356 0.196824 0.558084 O\n0.807644 0.803176 0.058084 O\n0.307644 0.696824 0.941916 O\n0.307644 0.696824 0.558084 O\n0.807644 0.803176 0.441916 O\n0.192356 0.196824 0.941916 O\n0.692356 0.303176 0.058084 O\n0.113439 0.458873 0.250000 O\n0.613439 0.041127 0.750000 O\n0.386561 0.958873 0.250000 O\n0.886561 0.541127 0.750000 O\n","nsites":20,"nelements":3,"elements":["Dy","Cr","O"],"chemical_system":"Cr-Dy-O","density":7.650230282206651,"density_atomic":0.08775574102329851,"volume":227.90531726796252,"volume_molar":6.862389502700645,"formula_full":"Dy4 Cr4 O12","formula_reduced":"DyCrO3","formula_anonymous":"ABC3","energy":-180.87603176,"energy_per_atom":-9.043801588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.63603175999998,"band_gap":2.2185000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0036007,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.073000Z","spacegroup":62},{"id":"mp-759645","created_at":"2022-09-04T14:43:05.222934Z","structure_string":"Li4 Mn5 Cr1 P6 O24\n1.0\n8.507441 0.000000 0.000000\n3.879301 7.700003 0.000000\n3.914250 2.534686 7.325073\nLi Mn Cr P O\n4 5 1 6 24\ndirect\n0.742027 0.149262 0.361994 Li\n0.269333 0.848889 0.651223 Li\n0.647865 0.262760 0.857105 Li\n0.851473 0.651661 0.269703 Li\n0.015699 0.001448 0.992434 Mn\n0.350066 0.352414 0.350973 Mn\n0.490769 0.501929 0.501293 Mn\n0.144920 0.150819 0.148219 Mn\n0.656417 0.650564 0.658222 Mn\n0.852337 0.850007 0.852213 Cr\n0.056005 0.752355 0.445689 P\n0.445948 0.048962 0.748833 P\n0.752820 0.444031 0.054248 P\n0.246327 0.548642 0.951173 P\n0.558063 0.953568 0.246169 P\n0.936042 0.245017 0.551422 P\n0.464111 0.900660 0.684094 O\n0.688038 0.456813 0.908967 O\n0.905472 0.689268 0.459396 O\n0.061652 0.922605 0.261381 O\n0.005946 0.810379 0.610205 O\n0.246848 0.606195 0.428432 O\n0.256798 0.073951 0.899276 O\n0.455764 0.232630 0.588070 O\n0.179805 0.390472 0.994832 O\n0.610207 0.423497 0.247878 O\n0.090186 0.744695 0.923287 O\n0.387994 0.016248 0.188719 O\n0.606920 0.995623 0.819759 O\n0.910974 0.251298 0.076920 O\n0.394683 0.570206 0.757796 O\n0.815680 0.606821 0.004351 O\n0.570389 0.758936 0.395552 O\n0.749608 0.920976 0.087064 O\n0.745789 0.399563 0.583571 O\n0.947344 0.186278 0.405024 O\n0.920434 0.087936 0.747531 O\n0.101890 0.298464 0.507083 O\n0.308459 0.524273 0.100610 O\n0.558902 0.096885 0.302287 O\n","nsites":40,"nelements":5,"elements":["Li","Mn","Cr","P","O"],"chemical_system":"Cr-Li-Mn-O-P","density":3.198527945617635,"density_atomic":0.08336009366215756,"volume":479.8459099879652,"volume_molar":7.224249032644541,"formula_full":"Li4 Mn5 Cr1 P6 O24","formula_reduced":"Li4Mn5Cr(PO4)6","formula_anonymous":"AB4C5D6E24","energy":-315.68648022,"energy_per_atom":-7.8921620055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-288.85948022,"band_gap":0.3167,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.0141062,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.912000Z","spacegroup":1}]}