{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10250","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10248","results":[{"id":"mp-1215879","created_at":"2022-09-04T14:47:23.335750Z","structure_string":"Zn4 Cu11 Sn5 Se20\n1.0\n-6.426793 6.426793 5.788641\n6.426793 -6.426793 5.788641\n6.426793 6.426793 -5.788641\nZn Cu Sn Se\n4 11 5 20\ndirect\n0.199632 0.399796 0.599730 Zn\n0.400098 0.800368 0.200164 Zn\n0.600204 0.199934 0.799836 Zn\n0.800066 0.599902 0.400270 Zn\n0.849647 0.950826 0.298905 Cu\n0.250000 0.750000 0.500000 Cu\n0.651921 0.550742 0.701095 Cu\n0.049174 0.348079 0.898821 Cu\n0.449258 0.150353 0.101179 Cu\n0.750000 0.250000 0.500000 Cu\n0.148670 0.050251 0.700334 Cu\n0.551664 0.851330 0.901582 Cu\n0.949749 0.650082 0.098418 Cu\n0.349918 0.448336 0.299666 Cu\n0.000000 0.000000 0.000000 Cu\n0.703331 0.902389 0.602149 Sn\n0.097611 0.699760 0.800942 Sn\n0.500000 0.500000 0.000000 Sn\n0.898818 0.296669 0.199058 Sn\n0.300240 0.101182 0.397851 Sn\n0.591370 0.287335 0.608263 Se\n0.791088 0.687441 0.207338 Se\n0.990929 0.085430 0.811197 Se\n0.191145 0.487274 0.407508 Se\n0.390715 0.887201 0.007062 Se\n0.274233 0.179732 0.188803 Se\n0.480103 0.583750 0.792662 Se\n0.679072 0.983107 0.391737 Se\n0.880139 0.383653 0.992938 Se\n0.079766 0.783637 0.592492 Se\n0.312559 0.519897 0.103647 Se\n0.512726 0.920234 0.703871 Se\n0.712665 0.320928 0.304035 Se\n0.914570 0.725767 0.905499 Se\n0.112799 0.119861 0.503514 Se\n0.416250 0.208912 0.896353 Se\n0.616347 0.609285 0.496486 Se\n0.820268 0.009071 0.094501 Se\n0.016893 0.408630 0.695965 Se\n0.216363 0.808855 0.296129 Se\n","nsites":40,"nelements":4,"elements":["Zn","Cu","Sn","Se"],"chemical_system":"Cu-Se-Sn-Zn","density":5.440497262634945,"density_atomic":0.04182488540381117,"volume":956.3684302732152,"volume_molar":14.398463263813866,"formula_full":"Zn4 Cu11 Sn5 Se20","formula_reduced":"Zn4Cu11(SnSe4)5","formula_anonymous":"A4B5C11D20","energy":-164.27774089,"energy_per_atom":-4.10694352225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.83774089,"band_gap":0.4782999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0076818,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.639000Z","spacegroup":82},{"id":"mp-1213549","created_at":"2022-09-04T14:47:23.342665Z","structure_string":"Hf3 Ni1 O6 F6\n1.0\n-2.923963 -6.260314 -1.750885\n-3.558549 5.778861 3.672940\n2.469874 -1.461439 -9.081077\nHf Ni O F\n3 1 6 6\ndirect\n0.000000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Ni\n0.704272 0.654917 0.882471 O\n0.295728 0.345083 0.117529 O\n0.944772 0.111567 0.866023 O\n0.055228 0.888433 0.133977 O\n0.154893 0.184429 0.776165 O\n0.845107 0.815571 0.223835 O\n0.672841 0.783927 0.502751 F\n0.327159 0.216073 0.497249 F\n0.358486 0.740287 0.099332 F\n0.641514 0.259713 0.900668 F\n0.005791 0.380213 0.724072 F\n0.994209 0.619787 0.275928 F\n","nsites":16,"nelements":4,"elements":["Hf","Ni","O","F"],"chemical_system":"F-Hf-Ni-O","density":4.46376182695148,"density_atomic":0.053485334274084015,"volume":299.1474245633106,"volume_molar":11.259424366948362,"formula_full":"Hf3 Ni1 O6 F6","formula_reduced":"Hf3Ni(OF)6","formula_anonymous":"AB3C6D6","energy":-121.5088518,"energy_per_atom":-7.5943032375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.4058518,"band_gap":1.6403,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9999831,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.601000Z","spacegroup":2},{"id":"mp-1211583","created_at":"2022-09-04T14:47:23.348550Z","structure_string":"K2 C4\n1.0\n0.000000 -4.464212 0.000000\n-3.907501 2.232106 1.271628\n0.087807 0.000000 -8.277334\nK C\n2 4\ndirect\n0.783929 0.567859 0.751621 K\n0.216071 0.432141 0.248379 K\n0.927902 0.855804 0.442559 C\n0.072098 0.144196 0.557441 C\n0.535864 0.071729 0.942770 C\n0.464136 0.928271 0.057230 C\n","nsites":6,"nelements":2,"elements":["K","C"],"chemical_system":"C-K","density":1.456838832023919,"density_atomic":0.04169833751165118,"volume":143.89062869289464,"volume_molar":14.442160333891772,"formula_full":"K2 C4","formula_reduced":"KC2","formula_anonymous":"AB2","energy":-31.32287632,"energy_per_atom":-5.220479386666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.32287632,"band_gap":0.0673999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0007059,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.222000Z","spacegroup":12},{"id":"mp-1229290","created_at":"2022-09-04T14:47:23.359202Z","structure_string":"Cs4 Sc12 H24 Se24 O80\n1.0\n0.000000 0.000000 -9.741305\n0.000000 -13.475657 0.000000\n-16.980384 0.000000 0.000000\nCs Sc H Se O\n4 12 24 24 80\ndirect\n0.489322 0.250000 0.709132 Cs\n0.010678 0.250000 0.209132 Cs\n0.510678 0.750000 0.290868 Cs\n0.989322 0.750000 0.790868 Cs\n0.054041 0.250000 0.936961 Sc\n0.445959 0.250000 0.436961 Sc\n0.945959 0.750000 0.063039 Sc\n0.554041 0.750000 0.563039 Sc\n0.677926 0.500230 0.873801 Sc\n0.822074 0.999770 0.373801 Sc\n0.322074 0.000230 0.126199 Sc\n0.177926 0.499770 0.626199 Sc\n0.322074 0.499770 0.126199 Sc\n0.177926 0.000230 0.626199 Sc\n0.677926 0.999770 0.873801 Sc\n0.822074 0.500230 0.373801 Sc\n0.908318 0.399306 0.023780 H\n0.591682 0.100694 0.523780 H\n0.091682 0.899306 0.976220 H\n0.408318 0.600694 0.476220 H\n0.091682 0.600694 0.976220 H\n0.408318 0.899306 0.476220 H\n0.908318 0.100694 0.023780 H\n0.591682 0.399306 0.523780 H\n0.068528 0.414606 0.037186 H\n0.431472 0.085394 0.537186 H\n0.931472 0.914606 0.962814 H\n0.568528 0.585394 0.462814 H\n0.931472 0.585394 0.962814 H\n0.568528 0.914606 0.462814 H\n0.068528 0.085394 0.037186 H\n0.431472 0.414606 0.537186 H\n0.809562 0.461992 0.185649 H\n0.690438 0.038008 0.685649 H\n0.190438 0.961992 0.814351 H\n0.309562 0.538008 0.314351 H\n0.190438 0.538008 0.814351 H\n0.309562 0.961992 0.314351 H\n0.809562 0.038008 0.185649 H\n0.690438 0.461992 0.685649 H\n0.986441 0.406321 0.785049 Se\n0.513559 0.093679 0.285049 Se\n0.013559 0.906321 0.214951 Se\n0.486441 0.593679 0.714951 Se\n0.013559 0.593679 0.214951 Se\n0.486441 0.906321 0.714951 Se\n0.986441 0.093679 0.785049 Se\n0.513559 0.406321 0.285049 Se\n0.676331 0.250000 0.924114 Se\n0.823669 0.250000 0.424114 Se\n0.323669 0.750000 0.075886 Se\n0.176331 0.750000 0.575886 Se\n0.668258 0.510580 0.081559 Se\n0.831742 0.989420 0.581559 Se\n0.331742 0.010580 0.918441 Se\n0.168258 0.489420 0.418441 Se\n0.331742 0.489420 0.918441 Se\n0.168258 0.010580 0.418441 Se\n0.668258 0.989420 0.081559 Se\n0.831742 0.510580 0.581559 Se\n0.655299 0.750000 0.930244 Se\n0.844701 0.750000 0.430244 Se\n0.344701 0.250000 0.069756 Se\n0.155299 0.250000 0.569756 Se\n0.726877 0.652573 0.878913 O\n0.773123 0.847427 0.378913 O\n0.273123 0.152573 0.121087 O\n0.226877 0.347427 0.621087 O\n0.273123 0.347427 0.121087 O\n0.226877 0.152573 0.621087 O\n0.726877 0.847427 0.878913 O\n0.773123 0.652573 0.378913 O\n0.513830 0.451615 0.078958 O\n0.986170 0.048385 0.578958 O\n0.486170 0.951615 0.921042 O\n0.013830 0.548385 0.421042 O\n0.486170 0.548385 0.921042 O\n0.013830 0.951615 0.421042 O\n0.513830 0.048385 0.078958 O\n0.986170 0.451615 0.578958 O\n0.748388 0.475151 0.995019 O\n0.751612 0.024849 0.495019 O\n0.251612 0.975151 0.004981 O\n0.248388 0.524849 0.504981 O\n0.251612 0.524849 0.004981 O\n0.248388 0.975151 0.504981 O\n0.748388 0.024849 0.995019 O\n0.751612 0.475151 0.495019 O\n0.093908 0.365108 0.859183 O\n0.406092 0.134892 0.359183 O\n0.906092 0.865108 0.140817 O\n0.593908 0.634892 0.640817 O\n0.906092 0.634892 0.140817 O\n0.593908 0.865108 0.640817 O\n0.093908 0.134892 0.859183 O\n0.406092 0.365108 0.359183 O\n0.851036 0.250000 0.906425 O\n0.648964 0.250000 0.406425 O\n0.148964 0.750000 0.093575 O\n0.351036 0.750000 0.593575 O\n0.097237 0.492862 0.742984 O\n0.402763 0.007138 0.242984 O\n0.902763 0.992862 0.257016 O\n0.597237 0.507138 0.757016 O\n0.902763 0.507138 0.257016 O\n0.597237 0.992862 0.757016 O\n0.097237 0.007138 0.742984 O\n0.402763 0.492862 0.242984 O\n0.997338 0.363996 0.028541 O\n0.502662 0.136004 0.528541 O\n0.002662 0.863996 0.971459 O\n0.497338 0.636004 0.471459 O\n0.002662 0.636004 0.971459 O\n0.497338 0.863996 0.471459 O\n0.997338 0.136004 0.028541 O\n0.502662 0.363996 0.528541 O\n0.752276 0.750000 0.015945 O\n0.747724 0.750000 0.515945 O\n0.247724 0.250000 0.984055 O\n0.252276 0.250000 0.484055 O\n0.623968 0.348444 0.866555 O\n0.876032 0.151556 0.366555 O\n0.376032 0.848444 0.133445 O\n0.123968 0.651556 0.633445 O\n0.376032 0.651556 0.133445 O\n0.123968 0.848444 0.633445 O\n0.623968 0.151556 0.866555 O\n0.876032 0.348444 0.366555 O\n0.878330 0.485302 0.834071 O\n0.621670 0.014698 0.334071 O\n0.121670 0.985302 0.165929 O\n0.378330 0.514698 0.665929 O\n0.121670 0.514698 0.165929 O\n0.378330 0.985302 0.665929 O\n0.878330 0.014698 0.834071 O\n0.621670 0.485302 0.334071 O\n0.752547 0.423712 0.145435 O\n0.747453 0.076288 0.645435 O\n0.247453 0.923712 0.854565 O\n0.252547 0.576288 0.354565 O\n0.247453 0.576288 0.854565 O\n0.252547 0.923712 0.354565 O\n0.752547 0.076288 0.145435 O\n0.747453 0.423712 0.645435 O\n","nsites":144,"nelements":5,"elements":["Cs","Sc","H","Se","O"],"chemical_system":"Cs-H-O-Sc-Se","density":3.1811956230252854,"density_atomic":0.06460228736402264,"volume":2229.023241678504,"volume_molar":9.321869249096839,"formula_full":"Cs4 Sc12 H24 Se24 O80","formula_reduced":"CsSc3H6(Se3O10)2","formula_anonymous":"AB3C6D6E20","energy":-914.46966917,"energy_per_atom":-6.3504838136805555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-859.50966917,"band_gap":4.2325,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0073922,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.747000Z","spacegroup":62},{"id":"mp-1183271","created_at":"2022-09-04T14:47:23.364495Z","structure_string":"Ac6 Eu2\n1.0\n4.077783 -7.062927 0.000000\n4.077783 7.062927 0.000000\n0.000000 0.000000 6.553590\nAc Eu\n6 2\ndirect\n0.166265 0.332530 0.250000 Ac\n0.667470 0.833735 0.250000 Ac\n0.166265 0.833735 0.250000 Ac\n0.833735 0.667470 0.750000 Ac\n0.332530 0.166265 0.750000 Ac\n0.833735 0.166265 0.750000 Ac\n0.333333 0.666667 0.750000 Eu\n0.666667 0.333333 0.250000 Eu\n","nsites":8,"nelements":2,"elements":["Ac","Eu"],"chemical_system":"Ac-Eu","density":7.328029904455325,"density_atomic":0.021191997538126426,"volume":377.50098760663013,"volume_molar":28.41705105507678,"formula_full":"Ac6 Eu2","formula_reduced":"Ac3Eu","formula_anonymous":"AB3","energy":-44.8309186,"energy_per_atom":-5.603864825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.8309186,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.4374577,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.729000Z","spacegroup":194},{"id":"mp-1199663","created_at":"2022-09-04T14:47:23.437162Z","structure_string":"Cr8 Co4 H80 N24 Cl4 O32\n1.0\n9.508567 0.000000 0.000000\n0.000000 10.209025 0.000000\n0.000000 6.198049 15.038582\nCr Co H N Cl O\n8 4 80 24 4 32\ndirect\n0.929194 0.916478 0.244091 Cr\n0.429194 0.083522 0.255909 Cr\n0.070806 0.083522 0.755909 Cr\n0.570806 0.916478 0.744091 Cr\n0.746474 0.761668 0.417448 Cr\n0.246474 0.238332 0.082552 Cr\n0.253526 0.238332 0.582552 Cr\n0.753526 0.761668 0.917448 Cr\n0.251463 0.711093 0.060415 Co\n0.751463 0.288907 0.439585 Co\n0.748537 0.288907 0.939585 Co\n0.248537 0.711093 0.560415 Co\n0.501215 0.600603 0.114808 H\n0.001215 0.399397 0.385192 H\n0.498785 0.399397 0.885192 H\n0.998785 0.600603 0.614808 H\n0.401957 0.488205 0.090373 H\n0.901957 0.511795 0.409627 H\n0.598043 0.511795 0.909627 H\n0.098043 0.488205 0.590373 H\n0.375449 0.512289 0.184817 H\n0.875449 0.487711 0.315183 H\n0.624551 0.487711 0.815183 H\n0.124551 0.512289 0.684817 H\n0.258199 0.547741 0.972643 H\n0.758199 0.452259 0.527357 H\n0.741801 0.452259 0.027357 H\n0.241801 0.547741 0.472643 H\n0.315423 0.706788 0.907821 H\n0.815423 0.293212 0.592179 H\n0.684577 0.293212 0.092179 H\n0.184577 0.706788 0.407821 H\n0.145586 0.678731 0.925350 H\n0.645586 0.321269 0.574650 H\n0.854414 0.321269 0.074650 H\n0.354414 0.678731 0.425350 H\n0.140320 0.517473 0.188801 H\n0.640320 0.482527 0.311199 H\n0.859680 0.482527 0.811199 H\n0.359680 0.517473 0.688801 H\n0.098846 0.490751 0.096879 H\n0.598846 0.509249 0.403121 H\n0.901154 0.509249 0.903121 H\n0.401154 0.490751 0.596879 H\n0.008722 0.606774 0.124500 H\n0.508722 0.393226 0.375500 H\n0.991278 0.393226 0.875500 H\n0.491278 0.606774 0.624500 H\n0.353781 0.814547 0.168687 H\n0.853781 0.185453 0.331313 H\n0.646219 0.185453 0.831313 H\n0.146219 0.814547 0.668687 H\n0.251531 0.678133 0.222881 H\n0.751531 0.321867 0.277119 H\n0.748469 0.321867 0.777119 H\n0.248469 0.678133 0.722881 H\n0.179969 0.834611 0.164537 H\n0.679969 0.165389 0.335463 H\n0.820031 0.165389 0.835463 H\n0.320031 0.834611 0.664537 H\n0.033898 0.855124 0.057594 H\n0.533898 0.144876 0.442406 H\n0.966102 0.144876 0.942406 H\n0.466102 0.855124 0.557594 H\n0.037960 0.827151 0.963427 H\n0.537960 0.172849 0.536573 H\n0.962040 0.172849 0.036573 H\n0.462040 0.827151 0.463427 H\n0.134518 0.954054 0.974384 H\n0.634518 0.045946 0.525616 H\n0.865482 0.045946 0.025616 H\n0.365482 0.954054 0.474384 H\n0.450012 0.825899 0.954769 H\n0.950012 0.174101 0.545231 H\n0.549988 0.174101 0.045231 H\n0.049988 0.825899 0.454769 H\n0.470035 0.851836 0.049235 H\n0.970035 0.148164 0.450765 H\n0.529965 0.148164 0.950765 H\n0.029965 0.851836 0.549235 H\n0.360732 0.952731 0.970444 H\n0.860732 0.047269 0.529556 H\n0.639268 0.047269 0.029556 H\n0.139268 0.952731 0.470444 H\n0.657438 0.757207 0.156606 H\n0.157438 0.242793 0.343394 H\n0.342562 0.242793 0.843394 H\n0.842562 0.757207 0.656606 H\n0.594796 0.859462 0.198363 H\n0.094796 0.140538 0.301637 H\n0.405204 0.140538 0.801637 H\n0.905204 0.859462 0.698363 H\n0.399407 0.563897 0.118090 N\n0.899407 0.436103 0.381910 N\n0.600593 0.436103 0.881910 N\n0.100593 0.563897 0.618090 N\n0.242062 0.654540 0.955815 N\n0.742062 0.345460 0.544185 N\n0.757938 0.345460 0.044185 N\n0.257938 0.654540 0.455815 N\n0.108177 0.567646 0.123264 N\n0.608177 0.432354 0.376736 N\n0.891823 0.432354 0.876736 N\n0.391823 0.567646 0.623264 N\n0.260065 0.766940 0.164774 N\n0.760065 0.233060 0.335226 N\n0.739935 0.233060 0.835226 N\n0.239935 0.766940 0.664774 N\n0.099292 0.852123 0.007522 N\n0.599292 0.147877 0.492478 N\n0.900708 0.147877 0.992478 N\n0.400708 0.852123 0.507522 N\n0.397712 0.851228 0.001959 N\n0.897712 0.148772 0.498041 N\n0.602288 0.148772 0.998041 N\n0.102288 0.851228 0.501959 N\n0.257654 0.444675 0.318126 Cl\n0.757654 0.555325 0.181874 Cl\n0.742346 0.555325 0.681874 Cl\n0.242346 0.444675 0.818126 Cl\n0.772029 0.827330 0.299799 O\n0.272029 0.172670 0.200201 O\n0.227971 0.172670 0.700201 O\n0.727971 0.827330 0.799799 O\n0.956122 0.874128 0.157497 O\n0.456122 0.125872 0.342503 O\n0.043878 0.125872 0.842503 O\n0.543878 0.874128 0.657497 O\n0.060450 0.862588 0.313845 O\n0.560450 0.137412 0.186155 O\n0.939550 0.137412 0.686155 O\n0.439550 0.862588 0.813845 O\n0.909324 0.086939 0.212630 O\n0.409324 0.913061 0.287370 O\n0.090676 0.913061 0.787370 O\n0.590676 0.086939 0.712630 O\n0.876234 0.651851 0.464021 O\n0.376234 0.348149 0.035979 O\n0.123766 0.348149 0.535979 O\n0.623766 0.651851 0.964021 O\n0.596267 0.675420 0.439127 O\n0.096267 0.324580 0.060873 O\n0.403733 0.324580 0.560873 O\n0.903733 0.675420 0.939127 O\n0.745340 0.893031 0.450910 O\n0.245340 0.106969 0.049090 O\n0.254660 0.106969 0.549090 O\n0.754660 0.893031 0.950910 O\n0.590634 0.836879 0.144942 O\n0.090634 0.163121 0.355058 O\n0.409366 0.163121 0.855058 O\n0.909366 0.836879 0.644942 O\n","nsites":152,"nelements":6,"elements":["Cr","Co","H","N","Cl","O"],"chemical_system":"Cl-Co-Cr-H-N-O","density":1.9590668089151537,"density_atomic":0.10412076766128353,"volume":1459.8432513912398,"volume_molar":5.783803649614549,"formula_full":"Cr8 Co4 H80 N24 Cl4 O32","formula_reduced":"Cr2CoH20N6ClO8","formula_anonymous":"ABC2D6E8F20","energy":-876.9428966500001,"energy_per_atom":-5.769361162171053,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-821.2948966499999,"band_gap":2.621,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031395,"is_theoretical":false,"updated_at":"2021-11-28T01:38:06.089000Z","spacegroup":14},{"id":"mp-760114","created_at":"2022-09-04T14:47:23.443029Z","structure_string":"Li12 V6 P16 O58\n1.0\n9.764310 0.000000 0.000000\n-4.866604 -8.479291 0.000000\n-0.144417 0.011455 -13.947064\nLi V P O\n12 6 16 58\ndirect\n0.235760 0.902104 0.441494 Li\n0.312434 0.657604 0.110625 Li\n0.232274 0.324484 0.938737 Li\n0.674223 0.906201 0.936719 Li\n0.336349 0.238728 0.562102 Li\n0.669331 0.766373 0.438611 Li\n0.334778 0.100208 0.059318 Li\n0.764802 0.661987 0.057708 Li\n0.903192 0.668500 0.562702 Li\n0.764634 0.102279 0.559214 Li\n0.002494 0.998003 0.999507 Li\n0.014958 0.055422 0.490510 Li\n0.431796 0.433718 0.749014 V\n0.566052 0.563791 0.253158 V\n0.434970 0.000263 0.249855 V\n0.568021 0.001824 0.750812 V\n0.001174 0.564053 0.753473 V\n0.997927 0.433467 0.248460 V\n0.084538 0.781946 0.158804 P\n0.225566 0.912668 0.660994 P\n0.080641 0.305855 0.656701 P\n0.336188 0.666226 0.871235 P\n0.331729 0.668117 0.369861 P\n0.223023 0.313954 0.158923 P\n0.312448 0.225174 0.344500 P\n0.682112 0.904572 0.154420 P\n0.314023 0.088015 0.845262 P\n0.683799 0.772683 0.656690 P\n0.774573 0.684777 0.840384 P\n0.665588 0.334094 0.630207 P\n0.665809 0.335881 0.128482 P\n0.917723 0.687257 0.346723 P\n0.779171 0.085695 0.338084 P\n0.919330 0.221510 0.844834 P\n0.003061 0.774351 0.437321 O\n0.081575 0.744712 0.659609 O\n0.227172 0.015105 0.935915 O\n0.256858 0.924912 0.158051 O\n0.095832 0.629668 0.163049 O\n0.195979 0.674867 0.824406 O\n0.074643 0.459461 0.668591 O\n0.004715 0.201376 0.928550 O\n0.080949 0.338621 0.157234 O\n0.323442 0.815749 0.329235 O\n0.381600 0.910127 0.675325 O\n0.190256 0.523336 0.318956 O\n0.337717 0.662931 0.979170 O\n0.330515 0.672377 0.476538 O\n0.324559 0.509245 0.833367 O\n0.518689 0.891567 0.169403 O\n0.492673 0.810751 0.834033 O\n0.253384 0.338780 0.657213 O\n0.204547 0.206528 0.251997 O\n0.225988 0.213537 0.435307 O\n0.230272 0.227612 0.071120 O\n0.373991 0.477742 0.172815 O\n0.488584 0.677027 0.332403 O\n0.339083 0.258434 0.837723 O\n0.525722 0.619701 0.671324 O\n0.662285 0.918996 0.656561 O\n0.202937 0.997868 0.753046 O\n0.228468 0.002072 0.571429 O\n0.781475 0.999884 0.428682 O\n0.338968 0.081845 0.339000 O\n0.468080 0.382311 0.333061 O\n0.658229 0.735319 0.159818 O\n0.508910 0.321111 0.670384 O\n0.619413 0.529800 0.827935 O\n0.780964 0.774625 0.929696 O\n0.769230 0.770338 0.567462 O\n0.794552 0.795789 0.748857 O\n0.751024 0.669433 0.342817 O\n0.514675 0.186638 0.166779 O\n0.469676 0.088804 0.831886 O\n0.671070 0.487404 0.172892 O\n0.666250 0.345233 0.022021 O\n0.661029 0.330063 0.522870 O\n0.809530 0.489076 0.670076 O\n0.619009 0.081284 0.324972 O\n0.677641 0.188627 0.670462 O\n0.916840 0.657273 0.835449 O\n0.012826 0.801204 0.258401 O\n0.988522 0.795801 0.079007 O\n0.911786 0.529747 0.332724 O\n0.812871 0.336821 0.175950 O\n0.919109 0.377103 0.834358 O\n0.746327 0.079768 0.839045 O\n0.764785 0.982059 0.063843 O\n0.792951 0.993494 0.246306 O\n0.918001 0.252258 0.336229 O\n0.991349 0.203778 0.572674 O\n0.002445 0.201112 0.750585 O\n","nsites":92,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.606393351724903,"density_atomic":0.07967167255733305,"volume":1154.7391569292747,"volume_molar":7.558697547947633,"formula_full":"Li12 V6 P16 O58","formula_reduced":"Li6V3P8O29","formula_anonymous":"A3B6C8D29","energy":-695.4669949,"energy_per_atom":-7.559423857608696,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-645.4209949,"band_gap":1.3947,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.043065,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.096000Z","spacegroup":1},{"id":"mp-1219695","created_at":"2022-09-04T14:47:23.340210Z","structure_string":"Rb8 Mn2 Mo6 O24\n1.0\n3.111294 -5.388920 0.000000\n3.111294 5.388920 0.000000\n0.000000 0.000000 24.224487\nRb Mn Mo O\n8 2 6 24\ndirect\n0.666667 0.333333 0.970551 Rb\n0.666667 0.333333 0.525661 Rb\n0.333333 0.666667 0.470551 Rb\n0.333333 0.666667 0.025661 Rb\n0.333333 0.666667 0.845376 Rb\n0.333333 0.666667 0.657509 Rb\n0.666667 0.333333 0.345376 Rb\n0.666667 0.333333 0.157509 Rb\n0.000000 0.000000 0.749925 Mn\n0.000000 0.000000 0.249925 Mn\n0.000000 0.000000 0.909963 Mo\n0.000000 0.000000 0.589984 Mo\n0.000000 0.000000 0.409963 Mo\n0.000000 0.000000 0.089984 Mo\n0.666667 0.333333 0.772254 Mo\n0.333333 0.666667 0.272254 Mo\n0.000000 0.000000 0.834441 O\n0.000000 0.000000 0.665193 O\n0.000000 0.000000 0.334441 O\n0.000000 0.000000 0.165193 O\n0.689365 0.817261 0.935072 O\n0.182739 0.872104 0.935072 O\n0.127896 0.310635 0.935072 O\n0.687408 0.813598 0.566140 O\n0.186402 0.873810 0.566140 O\n0.126190 0.312592 0.566140 O\n0.310635 0.127896 0.435072 O\n0.817261 0.689365 0.435072 O\n0.872104 0.182739 0.435072 O\n0.312592 0.126190 0.066140 O\n0.813598 0.687408 0.066140 O\n0.873810 0.186402 0.066140 O\n0.666667 0.333333 0.844996 O\n0.333333 0.666667 0.344996 O\n0.683460 0.619162 0.748674 O\n0.380838 0.064298 0.748674 O\n0.935702 0.316540 0.748674 O\n0.316540 0.935702 0.248674 O\n0.619162 0.683460 0.248674 O\n0.064298 0.380838 0.248674 O\n","nsites":40,"nelements":4,"elements":["Rb","Mn","Mo","O"],"chemical_system":"Mn-Mo-O-Rb","density":3.5839678793682683,"density_atomic":0.04924165249878718,"volume":812.3204232633175,"volume_molar":12.22976982778619,"formula_full":"Rb8 Mn2 Mo6 O24","formula_reduced":"Rb4Mn(MoO4)3","formula_anonymous":"AB3C4D12","energy":-296.81591604,"energy_per_atom":-7.420397900999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-257.77991604,"band_gap":3.1284,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.020732,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.509000Z","spacegroup":159},{"id":"mp-1227265","created_at":"2022-09-04T14:47:23.366748Z","structure_string":"Ca2 Pt1 Au1\n1.0\n2.044218 -5.419046 0.000000\n2.044218 5.419046 0.000000\n0.000000 0.000000 4.446966\nCa Pt Au\n2 1 1\ndirect\n0.860204 0.139796 0.000000 Ca\n0.140944 0.859056 0.500000 Ca\n0.420017 0.579983 0.500000 Pt\n0.578835 0.421165 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Ca","Pt","Au"],"chemical_system":"Au-Ca-Pt","density":7.958610884831555,"density_atomic":0.040599075206077126,"volume":98.52441169401945,"volume_molar":14.83319688793938,"formula_full":"Ca2 Pt1 Au1","formula_reduced":"Ca2PtAu","formula_anonymous":"ABC2","energy":-16.80650767,"energy_per_atom":-4.2016269175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.80650767,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.41e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.161000Z","spacegroup":38},{"id":"mp-1229234","created_at":"2022-09-04T14:47:23.377532Z","structure_string":"Cd4 Fe1 Cu10 Sn5 Se20\n1.0\n2.946676 6.524002 0.000000\n-2.946676 6.524002 0.000000\n0.000000 0.259221 26.333989\nCd Fe Cu Sn Se\n4 1 10 5 20\ndirect\n0.999989 0.399286 0.699734 Cd\n0.200402 0.599478 0.900106 Cd\n0.400522 0.799598 0.099894 Cd\n0.600714 0.000011 0.300266 Cd\n0.798580 0.201420 0.500000 Fe\n0.299400 0.700945 0.749892 Cu\n0.700251 0.100023 0.149830 Cu\n0.499993 0.900401 0.949972 Cu\n0.104127 0.498088 0.548642 Cu\n0.897903 0.301000 0.351323 Cu\n0.699000 0.102097 0.648677 Cu\n0.099599 0.500007 0.050028 Cu\n0.899977 0.299749 0.850170 Cu\n0.501912 0.895873 0.451358 Cu\n0.299055 0.700600 0.250108 Cu\n0.397835 0.798996 0.597743 Sn\n0.799174 0.200826 0.000000 Sn\n0.599586 0.000726 0.799646 Sn\n0.201004 0.602165 0.402257 Sn\n0.999274 0.400414 0.200354 Sn\n0.507568 0.375102 0.572259 Se\n0.684090 0.592339 0.779092 Se\n0.883439 0.793031 0.979251 Se\n0.083569 0.992841 0.179218 Se\n0.284699 0.192138 0.380215 Se\n0.093013 0.978329 0.676576 Se\n0.291341 0.181125 0.877261 Se\n0.490614 0.381573 0.077443 Se\n0.690275 0.581233 0.278348 Se\n0.879013 0.818207 0.479792 Se\n0.418767 0.309725 0.721652 Se\n0.618427 0.509386 0.922557 Se\n0.818875 0.708659 0.122739 Se\n0.021671 0.906987 0.323424 Se\n0.181793 0.120987 0.520208 Se\n0.007159 0.916431 0.820782 Se\n0.206969 0.116561 0.020749 Se\n0.407661 0.315910 0.220908 Se\n0.624898 0.492432 0.427741 Se\n0.807862 0.715301 0.619785 Se\n","nsites":40,"nelements":5,"elements":["Cd","Fe","Cu","Sn","Se"],"chemical_system":"Cd-Cu-Fe-Se-Sn","density":5.434618180538321,"density_atomic":0.03950634704161962,"volume":1012.4955354100525,"volume_molar":15.243476582777252,"formula_full":"Cd4 Fe1 Cu10 Sn5 Se20","formula_reduced":"Cd4FeCu10(SnSe4)5","formula_anonymous":"AB4C5D10E20","energy":-166.22922514000004,"energy_per_atom":-4.155730628500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.78922514,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9920852,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.071000Z","spacegroup":5},{"id":"mp-1223153","created_at":"2022-09-04T14:47:23.557668Z","structure_string":"La10 Pb6 O2\n1.0\n-4.403185 4.403185 7.350389\n4.403185 -4.403185 7.350389\n4.403185 4.403185 -7.350389\nLa Pb O\n10 6 2\ndirect\n0.500111 0.302248 0.500000 La\n0.802248 0.000111 0.500000 La\n0.000111 0.500111 0.197863 La\n0.302248 0.802248 0.802137 La\n0.500579 0.698138 0.500000 La\n0.198138 0.000579 0.500000 La\n0.000579 0.500579 0.802441 La\n0.698138 0.198138 0.197559 La\n0.509877 0.509877 0.000000 La\n0.009877 0.009877 0.000000 La\n0.144261 0.355233 0.500000 Pb\n0.855233 0.644261 0.500000 Pb\n0.644261 0.144261 0.789027 Pb\n0.355233 0.855233 0.210973 Pb\n0.750988 0.750988 0.000000 Pb\n0.250988 0.250988 0.000000 Pb\n0.749986 0.249986 0.500000 O\n0.249986 0.749986 0.500000 O\n","nsites":18,"nelements":3,"elements":["La","Pb","O"],"chemical_system":"La-O-Pb","density":7.7610496548586925,"density_atomic":0.03157681514522109,"volume":570.0384892275673,"volume_molar":19.07140011525641,"formula_full":"La10 Pb6 O2","formula_reduced":"La5Pb3O","formula_anonymous":"AB3C5","energy":-103.72928279,"energy_per_atom":-5.762737932777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.35528279,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.1871581,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.776000Z","spacegroup":108},{"id":"mp-1213869","created_at":"2022-09-04T14:47:23.559294Z","structure_string":"Ca4 V4 Si4 O20\n1.0\n-3.037914 -4.387984 1.326935\n-6.066273 0.002212 -4.380902\n3.045796 -4.381226 -8.350513\nCa V Si O\n4 4 4 20\ndirect\n0.126869 0.541098 0.208944 Ca\n0.626956 0.041086 0.708883 Ca\n0.873160 0.458899 0.791140 Ca\n0.373058 0.958961 0.291032 Ca\n0.500033 0.499975 0.500058 V\n0.250297 0.749772 0.749850 V\n0.000097 0.999855 0.999827 V\n0.750002 0.250019 0.250047 V\n0.601082 0.716696 0.033927 Si\n0.101105 0.216762 0.533922 Si\n0.398842 0.283319 0.966089 Si\n0.898911 0.783318 0.466066 Si\n0.526572 0.406880 0.342545 O\n0.026777 0.906651 0.842373 O\n0.473508 0.593231 0.657598 O\n0.973155 0.093265 0.157538 O\n0.789510 0.830202 0.079891 O\n0.289598 0.330187 0.579880 O\n0.210253 0.169878 0.920264 O\n0.710431 0.669778 0.420109 O\n0.763937 0.486144 0.105538 O\n0.264164 0.986195 0.605277 O\n0.235883 0.513840 0.894491 O\n0.735716 0.013854 0.394696 O\n0.560255 0.755272 0.862164 O\n0.060060 0.255390 0.362167 O\n0.439776 0.244763 0.137843 O\n0.940017 0.744620 0.637845 O\n0.323146 0.784706 0.099366 O\n0.823214 0.284788 0.599395 O\n0.676741 0.215252 0.900605 O\n0.176876 0.715345 0.400631 O\n","nsites":32,"nelements":4,"elements":["Ca","V","Si","O"],"chemical_system":"Ca-O-Si-V","density":3.531727721724441,"density_atomic":0.08545795209920004,"volume":374.4531575347632,"volume_molar":7.046905070939996,"formula_full":"Ca4 V4 Si4 O20","formula_reduced":"CaVSiO5","formula_anonymous":"ABCD5","energy":-264.38440907,"energy_per_atom":-8.2620127834375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.84440907,"band_gap":1.1317000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.86e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.811000Z","spacegroup":15}]}