{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10204","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10202","results":[{"id":"mp-1219385","created_at":"2022-09-04T14:46:39.195217Z","structure_string":"Sm14 Au51\n1.0\n6.464091 -11.196134 0.000000\n6.464091 11.196134 0.000000\n0.000000 0.000000 9.357153\nSm Au\n14 51\ndirect\n0.342818 0.869107 0.500000 Sm\n0.130893 0.473711 0.500000 Sm\n0.526289 0.657182 0.500000 Sm\n0.990978 0.799221 0.500000 Sm\n0.200779 0.191757 0.500000 Sm\n0.808243 0.009022 0.500000 Sm\n0.937216 0.219139 0.000000 Sm\n0.780861 0.718078 0.000000 Sm\n0.281922 0.062784 0.000000 Sm\n0.384598 0.451969 0.000000 Sm\n0.548031 0.932629 0.000000 Sm\n0.067371 0.615402 0.000000 Sm\n0.666667 0.333333 0.297962 Sm\n0.666667 0.333333 0.702038 Sm\n0.288887 0.840064 0.152627 Au\n0.159936 0.448823 0.152627 Au\n0.551177 0.711113 0.152627 Au\n0.047771 0.830783 0.150480 Au\n0.169217 0.216988 0.150480 Au\n0.783012 0.952229 0.150480 Au\n0.047771 0.830783 0.849520 Au\n0.169217 0.216988 0.849520 Au\n0.783012 0.952229 0.849520 Au\n0.288887 0.840064 0.847373 Au\n0.159936 0.448823 0.847373 Au\n0.551177 0.711113 0.847373 Au\n0.333333 0.666667 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.003470 0.228500 0.336104 Au\n0.771500 0.774970 0.336104 Au\n0.225030 0.996530 0.336104 Au\n0.327677 0.437656 0.337272 Au\n0.562344 0.890021 0.337272 Au\n0.109979 0.672323 0.337272 Au\n0.327677 0.437656 0.662728 Au\n0.562344 0.890021 0.662728 Au\n0.109979 0.672323 0.662728 Au\n0.003470 0.228500 0.663896 Au\n0.771500 0.774970 0.663896 Au\n0.225030 0.996530 0.663896 Au\n0.743330 0.138681 0.235978 Au\n0.861319 0.604649 0.235978 Au\n0.395351 0.256670 0.235978 Au\n0.594642 0.526308 0.228161 Au\n0.473692 0.068334 0.228161 Au\n0.931666 0.405358 0.228161 Au\n0.594642 0.526308 0.771839 Au\n0.473692 0.068334 0.771839 Au\n0.931666 0.405358 0.771839 Au\n0.743330 0.138681 0.764022 Au\n0.861319 0.604649 0.764022 Au\n0.395351 0.256670 0.764022 Au\n0.333333 0.666667 0.309643 Au\n0.000000 0.000000 0.309422 Au\n0.000000 0.000000 0.690578 Au\n0.333333 0.666667 0.690357 Au\n0.843542 0.273059 0.500000 Au\n0.726941 0.570483 0.500000 Au\n0.429517 0.156458 0.500000 Au\n0.489387 0.395139 0.500000 Au\n0.604861 0.094248 0.500000 Au\n0.905752 0.510613 0.500000 Au\n0.641158 0.194908 0.000000 Au\n0.805092 0.446250 0.000000 Au\n0.553750 0.358842 0.000000 Au\n","nsites":65,"nelements":2,"elements":["Sm","Au"],"chemical_system":"Au-Sm","density":14.896631494380589,"density_atomic":0.04799147310738611,"volume":1354.407268444448,"volume_molar":12.548355718368573,"formula_full":"Sm14 Au51","formula_reduced":"Sm14Au51","formula_anonymous":"A14B51","energy":-273.46110967,"energy_per_atom":-4.207093994923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-273.46110967,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1389888,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.272000Z","spacegroup":174},{"id":"mp-29685","created_at":"2022-09-04T14:46:57.708087Z","structure_string":"Rb2 Ag10 Se6\n1.0\n6.090856 0.000000 0.000000\n0.000000 6.090856 0.000000\n0.000000 0.000000 11.481449\nRb Ag Se\n2 10 6\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.797881 0.297881 0.811395 Ag\n0.297881 0.797881 0.188605 Ag\n0.702119 0.797881 0.811395 Ag\n0.797881 0.702119 0.188605 Ag\n0.500000 0.500000 0.000000 Ag\n0.202119 0.297881 0.188605 Ag\n0.000000 0.000000 0.000000 Ag\n0.297881 0.202119 0.811395 Ag\n0.702119 0.202119 0.188605 Ag\n0.202119 0.702119 0.811395 Ag\n0.500000 0.500000 0.324524 Se\n0.000000 0.000000 0.675476 Se\n0.000000 0.500000 0.000000 Se\n0.500000 0.500000 0.675476 Se\n0.000000 0.000000 0.324524 Se\n0.500000 0.000000 0.000000 Se\n","nsites":18,"nelements":3,"elements":["Rb","Ag","Se"],"chemical_system":"Ag-Rb-Se","density":6.71855963152583,"density_atomic":0.042258992617214004,"volume":425.94484357556087,"volume_molar":14.250554466712273,"formula_full":"Rb2 Ag10 Se6","formula_reduced":"RbAg5Se3","formula_anonymous":"AB3C5","energy":-59.5465754,"energy_per_atom":-3.308143077777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.7145754,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001433,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.276000Z","spacegroup":125},{"id":"mp-1522180","created_at":"2022-09-04T14:47:01.439080Z","structure_string":"K1 La1 Nb1 Fe1 O6\n1.0\n0.000000 -4.016720 -4.016720\n4.016720 0.000000 -4.016720\n4.016720 -4.016720 0.000000\nK La Nb Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Nb\n0.000000 -0.000000 0.000000 Fe\n0.749097 0.250903 0.250903 O\n0.250903 0.749097 0.749097 O\n0.749097 0.250903 0.749097 O\n0.250903 0.749097 0.250903 O\n0.749097 0.749097 0.250903 O\n0.250903 0.250903 0.749097 O\n","nsites":10,"nelements":5,"elements":["K","La","Nb","Fe","O"],"chemical_system":"Fe-K-La-Nb-O","density":5.416136913191695,"density_atomic":0.07715344598486734,"volume":129.61183875003292,"volume_molar":7.805407371151206,"formula_full":"K1 La1 Nb1 Fe1 O6","formula_reduced":"KLaNbFeO6","formula_anonymous":"ABCDE6","energy":-81.97790811000002,"energy_per_atom":-8.197790811,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.59990811,"band_gap":1.7117999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0000007,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.281000Z","spacegroup":216},{"id":"mp-1212891","created_at":"2022-09-04T14:46:57.158907Z","structure_string":"Eu6 Sn10\n1.0\n4.259833 -5.169796 0.000000\n4.259833 5.169796 0.000000\n0.000000 0.000000 10.707410\nEu Sn\n6 10\ndirect\n0.797377 0.202623 0.000000 Eu\n0.202623 0.797377 0.000000 Eu\n0.202623 0.797377 0.500000 Eu\n0.797377 0.202623 0.500000 Eu\n0.627764 0.627764 0.250000 Eu\n0.372236 0.372236 0.750000 Eu\n0.074610 0.496275 0.250000 Sn\n0.925391 0.503725 0.750000 Sn\n0.496275 0.074609 0.250000 Sn\n0.503725 0.925391 0.750000 Sn\n0.027498 0.027498 0.250000 Sn\n0.972502 0.972502 0.750000 Sn\n0.308845 0.308845 0.050331 Sn\n0.691155 0.691155 0.949669 Sn\n0.691155 0.691155 0.550331 Sn\n0.308845 0.308845 0.449669 Sn\n","nsites":16,"nelements":2,"elements":["Eu","Sn"],"chemical_system":"Eu-Sn","density":7.390215900659734,"density_atomic":0.0339265403259584,"volume":471.6071796969475,"volume_molar":17.750530122260198,"formula_full":"Eu6 Sn10","formula_reduced":"Eu3Sn5","formula_anonymous":"A3B5","energy":-111.49240722,"energy_per_atom":-6.96827545125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.49240722,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":41.6439646,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.283000Z","spacegroup":63},{"id":"mp-1225500","created_at":"2022-09-04T14:47:04.508712Z","structure_string":"Dy1 Ho1 Al4\n1.0\n0.000000 3.927509 3.927509\n3.927509 0.000000 3.927509\n3.927509 3.927509 0.000000\nDy Ho Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Ho\n0.625011 0.625011 0.124968 Al\n0.625011 0.124968 0.625011 Al\n0.124968 0.625011 0.625011 Al\n0.625011 0.625011 0.625011 Al\n","nsites":6,"nelements":3,"elements":["Dy","Ho","Al"],"chemical_system":"Al-Dy-Ho","density":5.966402424773689,"density_atomic":0.04951875167777583,"volume":121.16622080949627,"volume_molar":12.161333951200461,"formula_full":"Dy1 Ho1 Al4","formula_reduced":"DyHoAl4","formula_anonymous":"ABC4","energy":-27.25789789,"energy_per_atom":-4.5429829816666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.25789789,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1382386,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.283000Z","spacegroup":216},{"id":"mp-1218433","created_at":"2022-09-04T14:46:57.485256Z","structure_string":"Sr3 Pr1 Mn4 O12\n1.0\n-3.884383 3.884383 3.884383\n3.884383 -3.884383 3.884383\n3.884383 3.884383 -3.884383\nSr Pr Mn O\n3 1 4 12\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.490361 0.245181 0.245181 O\n0.000000 0.754819 0.245181 O\n0.000000 0.245181 0.754819 O\n0.509639 0.754819 0.754819 O\n0.754819 0.509639 0.754819 O\n0.245181 0.000000 0.754819 O\n0.245181 0.490361 0.245181 O\n0.754819 0.000000 0.245181 O\n0.754819 0.754819 0.509639 O\n0.245181 0.245181 0.490361 O\n0.245181 0.754819 0.000000 O\n0.754819 0.245181 0.000000 O\n","nsites":20,"nelements":4,"elements":["Sr","Pr","Mn","O"],"chemical_system":"Mn-O-Pr-Sr","density":5.776352170480948,"density_atomic":0.08531077161119893,"volume":234.43698400888167,"volume_molar":7.059062585256773,"formula_full":"Sr3 Pr1 Mn4 O12","formula_reduced":"Sr3PrMn4O12","formula_anonymous":"AB3C4D12","energy":-157.79167162,"energy_per_atom":-7.889583580999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.87567162,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0138315,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.286000Z","spacegroup":229},{"id":"mp-1177443","created_at":"2022-09-04T14:47:01.327785Z","structure_string":"Li4 Fe2 Cu3 Sn3 O16\n1.0\n3.051526 5.218098 0.000000\n-3.051526 5.218098 0.000000\n0.000000 0.063167 9.645059\nLi Fe Cu Sn O\n4 2 3 3 16\ndirect\n0.325836 0.325836 0.114936 Li\n0.018673 0.018673 0.009395 Li\n0.013774 0.013774 0.497760 Li\n0.662401 0.662401 0.602384 Li\n0.331341 0.331341 0.502317 Fe\n0.661854 0.661854 0.013549 Fe\n0.169509 0.169509 0.784214 Cu\n0.828606 0.340017 0.286585 Cu\n0.340017 0.828606 0.286585 Cu\n0.659585 0.169404 0.785498 Sn\n0.169404 0.659585 0.785498 Sn\n0.829976 0.829976 0.286608 Sn\n0.674629 0.164483 0.405395 O\n0.481942 0.481942 0.654681 O\n0.326529 0.326529 0.900346 O\n0.006654 0.006654 0.685170 O\n0.010625 0.010625 0.196352 O\n0.164483 0.674629 0.405395 O\n0.477381 0.036886 0.655694 O\n0.036886 0.477381 0.655694 O\n0.838820 0.838820 0.907955 O\n0.170969 0.170969 0.397487 O\n0.958242 0.516363 0.156596 O\n0.516363 0.958242 0.156596 O\n0.656294 0.656294 0.392125 O\n0.833830 0.331712 0.903189 O\n0.518454 0.518454 0.160531 O\n0.331712 0.833830 0.903189 O\n","nsites":28,"nelements":5,"elements":["Li","Fe","Cu","Sn","O"],"chemical_system":"Cu-Fe-Li-O-Sn","density":5.093704219228725,"density_atomic":0.09115780121773533,"volume":307.1596684645836,"volume_molar":6.60628128317377,"formula_full":"Li4 Fe2 Cu3 Sn3 O16","formula_reduced":"Li4Fe2Cu3Sn3O16","formula_anonymous":"A2B3C3D4E16","energy":-174.20307236,"energy_per_atom":-6.221538298571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.69907236,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9555728,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.286000Z","spacegroup":8},{"id":"mp-977566","created_at":"2022-09-04T14:46:55.515492Z","structure_string":"Mg1 Sc1 Pd2\n1.0\n0.000000 3.259912 3.259912\n3.259912 0.000000 3.259912\n3.259912 3.259912 0.000000\nMg Sc Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n","nsites":4,"nelements":3,"elements":["Mg","Sc","Pd"],"chemical_system":"Mg-Pd-Sc","density":6.760922569080031,"density_atomic":0.05773143674562964,"volume":69.28634077867127,"volume_molar":10.43130242286216,"formula_full":"Mg1 Sc1 Pd2","formula_reduced":"MgScPd2","formula_anonymous":"ABC2","energy":-21.6498658,"energy_per_atom":-5.41246645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.6498658,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025999,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.286000Z","spacegroup":225},{"id":"mp-1176910","created_at":"2022-09-04T14:46:59.830426Z","structure_string":"Li14 Mn8 P16 O56\n1.0\n-9.891790 0.000000 0.000000\n0.096279 9.913171 0.000000\n-0.024552 -2.543214 -11.077312\nLi Mn P O\n14 8 16 56\ndirect\n0.279476 0.112115 0.446138 Li\n0.586727 0.179257 0.550143 Li\n0.890009 0.086934 0.027414 Li\n0.095324 0.342118 0.958576 Li\n0.392745 0.413558 0.972817 Li\n0.067644 0.338162 0.460153 Li\n0.220608 0.611730 0.448889 Li\n0.919526 0.663280 0.543515 Li\n0.607508 0.586586 0.031237 Li\n0.413310 0.852791 0.958416 Li\n0.909319 0.653941 0.042418 Li\n0.106216 0.914534 0.971617 Li\n0.423365 0.829540 0.455945 Li\n0.720091 0.887894 0.551942 Li\n0.076523 0.201616 0.671193 Mn\n0.784211 0.259723 0.824224 Mn\n0.288897 0.241861 0.175537 Mn\n0.581836 0.296434 0.324513 Mn\n0.422126 0.702825 0.677557 Mn\n0.715646 0.757052 0.825807 Mn\n0.215765 0.747314 0.178103 Mn\n0.919025 0.796996 0.324192 Mn\n0.548352 0.028458 0.757523 P\n0.293850 0.120357 0.890773 P\n0.067174 0.060331 0.243745 P\n0.848400 0.123084 0.425483 P\n0.351307 0.376740 0.572474 P\n0.568167 0.440275 0.758052 P\n0.951494 0.524533 0.758978 P\n0.792915 0.380470 0.110250 P\n0.204689 0.618167 0.893204 P\n0.049344 0.473646 0.237956 P\n0.432572 0.559740 0.244326 P\n0.646947 0.619275 0.422414 P\n0.149758 0.876469 0.573040 P\n0.931796 0.941263 0.755565 P\n0.705833 0.881865 0.108742 P\n0.457052 0.978007 0.243372 P\n0.578882 0.020564 0.625144 O\n0.162297 0.023329 0.553503 O\n0.912633 0.087909 0.732637 O\n0.650956 0.116811 0.845032 O\n0.403294 0.101289 0.780230 O\n0.169433 0.178803 0.840329 O\n0.353196 0.228569 0.997684 O\n0.730930 0.017606 0.076655 O\n0.919784 0.112769 0.294581 O\n0.064439 0.063928 0.111071 O\n0.469080 0.132438 0.228720 O\n0.707126 0.182089 0.411624 O\n0.173364 0.164921 0.311899 O\n0.939905 0.216576 0.516774 O\n0.437549 0.275018 0.481220 O\n0.671593 0.328513 0.697634 O\n0.210712 0.311991 0.579991 O\n0.957083 0.373409 0.786140 O\n0.421117 0.385417 0.703054 O\n0.560661 0.442488 0.891304 O\n0.224226 0.480219 0.926058 O\n0.860238 0.276648 0.000034 O\n0.671209 0.322220 0.162792 O\n0.902330 0.401441 0.220003 O\n0.418175 0.413935 0.271865 O\n0.141496 0.384222 0.143415 O\n0.921333 0.523301 0.629813 O\n0.647956 0.467704 0.432671 O\n0.341411 0.523778 0.553589 O\n0.086532 0.476838 0.368131 O\n0.862879 0.613240 0.857117 O\n0.590702 0.582746 0.728025 O\n0.102954 0.589495 0.778443 O\n0.329894 0.683531 0.848571 O\n0.134060 0.723139 0.997733 O\n0.776343 0.518380 0.075863 O\n0.432338 0.563199 0.112076 O\n0.579495 0.620639 0.292987 O\n0.036516 0.621210 0.212424 O\n0.789172 0.680401 0.418425 O\n0.327382 0.662307 0.314078 O\n0.563571 0.719202 0.517448 O\n0.062451 0.774931 0.481719 O\n0.826796 0.836806 0.685731 O\n0.288701 0.811083 0.581470 O\n0.535699 0.882959 0.788122 O\n0.935019 0.935258 0.887456 O\n0.079376 0.887970 0.703873 O\n0.275263 0.980311 0.921142 O\n0.632082 0.776521 0.004579 O\n0.826334 0.811823 0.154877 O\n0.602491 0.907942 0.225129 O\n0.364057 0.896318 0.143825 O\n0.087098 0.915078 0.269090 O\n0.834322 0.975040 0.444285 O\n0.413905 0.973098 0.370561 O\n","nsites":94,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.947711137301786,"density_atomic":0.08653782585787456,"volume":1086.230201280778,"volume_molar":6.958969329655295,"formula_full":"Li14 Mn8 P16 O56","formula_reduced":"Li7Mn4(P2O7)4","formula_anonymous":"A4B7C8D28","energy":-711.75227668,"energy_per_atom":-7.571832730638298,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-659.93627668,"band_gap":0.2165999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":38.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.287000Z","spacegroup":1},{"id":"mp-21066","created_at":"2022-09-04T14:46:42.352635Z","structure_string":"Ta4 Mn4 P4\n1.0\n3.667079 0.000000 0.000000\n0.000000 6.074659 0.001989\n0.000000 0.002301 6.994183\nTa Mn P\n4 4 4\ndirect\n0.750000 0.977438 0.821844 Ta\n0.250000 0.522552 0.322080 Ta\n0.250000 0.022548 0.178106 Ta\n0.750000 0.477453 0.677956 Ta\n0.750000 0.348195 0.059865 Mn\n0.250000 0.651834 0.940182 Mn\n0.750000 0.848072 0.440156 Mn\n0.250000 0.151933 0.559777 Mn\n0.250000 0.780953 0.622463 P\n0.750000 0.219009 0.377547 P\n0.250000 0.280817 0.877390 P\n0.750000 0.719195 0.122635 P\n","nsites":12,"nelements":3,"elements":["Ta","Mn","P"],"chemical_system":"Mn-P-Ta","density":11.376611998157085,"density_atomic":0.0770197547842619,"volume":155.80418340220504,"volume_molar":7.818956028707786,"formula_full":"Ta4 Mn4 P4","formula_reduced":"TaMnP","formula_anonymous":"ABC","energy":-114.95502746,"energy_per_atom":-9.579585621666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.95502746,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2017627,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.291000Z","spacegroup":62},{"id":"mp-1211084","created_at":"2022-09-04T14:47:00.036593Z","structure_string":"Mg4 Br8 O48\n1.0\n9.768699 0.000000 0.000000\n0.000000 9.768699 0.000000\n0.000000 0.000000 9.768699\nMg Br O\n4 8 48\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.260715 0.260715 0.260715 Br\n0.739285 0.739285 0.739285 Br\n0.239285 0.739285 0.760715 Br\n0.739285 0.760715 0.239285 Br\n0.760715 0.260715 0.239285 Br\n0.260715 0.239285 0.760715 Br\n0.760715 0.239285 0.739285 Br\n0.239285 0.760715 0.260715 Br\n0.123290 0.337140 0.180479 O\n0.876710 0.662860 0.819521 O\n0.376710 0.662860 0.680479 O\n0.876710 0.837140 0.319521 O\n0.180479 0.123290 0.337140 O\n0.623290 0.337140 0.319521 O\n0.123290 0.162860 0.680479 O\n0.819521 0.876710 0.662860 O\n0.623290 0.162860 0.819521 O\n0.680479 0.376710 0.662860 O\n0.376710 0.837140 0.180479 O\n0.319521 0.623290 0.337140 O\n0.319521 0.876710 0.837140 O\n0.680479 0.123290 0.162860 O\n0.819521 0.623290 0.162860 O\n0.180479 0.376710 0.837140 O\n0.337140 0.180479 0.123290 O\n0.662860 0.819521 0.876710 O\n0.837140 0.319521 0.876710 O\n0.162860 0.680479 0.123290 O\n0.162860 0.819521 0.623290 O\n0.837140 0.180479 0.376710 O\n0.662860 0.680479 0.376710 O\n0.337140 0.319521 0.623290 O\n0.192568 0.459312 0.429350 O\n0.807432 0.540688 0.570650 O\n0.307432 0.540688 0.929350 O\n0.807432 0.959312 0.070650 O\n0.429350 0.192568 0.459312 O\n0.692568 0.459312 0.070650 O\n0.192568 0.040688 0.929350 O\n0.570650 0.807432 0.540688 O\n0.692568 0.040688 0.570650 O\n0.929350 0.307432 0.540688 O\n0.307432 0.959312 0.429350 O\n0.070650 0.692568 0.459312 O\n0.070650 0.807432 0.959312 O\n0.929350 0.192568 0.040688 O\n0.570650 0.692568 0.040688 O\n0.429350 0.307432 0.959312 O\n0.459312 0.429350 0.192568 O\n0.540688 0.570650 0.807432 O\n0.959312 0.070650 0.807432 O\n0.040688 0.929350 0.192568 O\n0.040688 0.570650 0.692568 O\n0.959312 0.429350 0.307432 O\n0.540688 0.929350 0.307432 O\n0.459312 0.070650 0.692568 O\n","nsites":60,"nelements":3,"elements":["Mg","Br","O"],"chemical_system":"Br-Mg-O","density":2.6798404338489807,"density_atomic":0.0643637095435185,"volume":932.2023299392331,"volume_molar":9.356422746156706,"formula_full":"Mg4 Br8 O48","formula_reduced":"Mg(BrO6)2","formula_anonymous":"AB2C12","energy":-244.16047276000003,"energy_per_atom":-4.069341212666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-211.18447276,"band_gap":0.4370999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":47.9968327,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.292000Z","spacegroup":205},{"id":"mp-771147","created_at":"2022-09-04T14:47:01.223462Z","structure_string":"Dy4 P8 O26\n1.0\n3.535973 -8.812089 0.000000\n3.535973 8.812089 0.000000\n0.000000 0.000000 8.627851\nDy P O\n4 8 26\ndirect\n0.106836 0.400602 0.852883 Dy\n0.599398 0.893164 0.647117 Dy\n0.400602 0.106836 0.147117 Dy\n0.893164 0.599398 0.352883 Dy\n0.584722 0.904268 0.002768 P\n0.095732 0.415278 0.497232 P\n0.720498 0.837169 0.273903 P\n0.162831 0.279502 0.226097 P\n0.279502 0.162831 0.773903 P\n0.837169 0.720498 0.726097 P\n0.904268 0.584722 0.997232 P\n0.415278 0.095732 0.502768 P\n0.062109 0.937891 0.750000 O\n0.067734 0.776691 0.098317 O\n0.223309 0.932266 0.401683 O\n0.527528 0.983013 0.108528 O\n0.016987 0.472472 0.391472 O\n0.418610 0.739509 0.886904 O\n0.260491 0.581390 0.613096 O\n0.158493 0.386916 0.102129 O\n0.613084 0.841507 0.397871 O\n0.617871 0.788046 0.108127 O\n0.211954 0.382129 0.391873 O\n0.698117 0.743577 0.704326 O\n0.256423 0.301883 0.795674 O\n0.743577 0.698117 0.295674 O\n0.301883 0.256423 0.204326 O\n0.788046 0.617871 0.891873 O\n0.382129 0.211954 0.608127 O\n0.841507 0.613084 0.602129 O\n0.386916 0.158493 0.897871 O\n0.739509 0.418610 0.113096 O\n0.581390 0.260491 0.386904 O\n0.472472 0.016987 0.608528 O\n0.983013 0.527528 0.891472 O\n0.932266 0.223309 0.598317 O\n0.776691 0.067734 0.901683 O\n0.937891 0.062109 0.250000 O\n","nsites":38,"nelements":3,"elements":["Dy","P","O"],"chemical_system":"Dy-O-P","density":4.057415437326512,"density_atomic":0.07067456590093567,"volume":537.6757467921981,"volume_molar":8.520944816896671,"formula_full":"Dy4 P8 O26","formula_reduced":"Dy2P4O13","formula_anonymous":"A2B4C13","energy":-310.7872767,"energy_per_atom":-8.178612544736842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-292.9252767,"band_gap":5.638800000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0009835,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.298000Z","spacegroup":20}]}