{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=10138","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=10136","results":[{"id":"mp-1019525","created_at":"2022-09-04T14:41:08.870548Z","structure_string":"Ba6 Zn2 B10 P2 O28\n1.0\n7.183453 0.000000 0.000000\n0.000000 8.322833 0.000000\n0.000000 0.000000 10.491216\nBa Zn B P O\n6 2 10 2 28\ndirect\n0.563265 0.438663 0.730384 Ba\n0.563265 0.438663 0.269616 Ba\n0.436735 0.938663 0.769616 Ba\n0.436735 0.938663 0.230384 Ba\n0.972959 0.225346 0.500000 Ba\n0.027041 0.725346 0.000000 Ba\n0.240547 0.331705 0.000000 Zn\n0.759453 0.831705 0.500000 Zn\n0.052106 0.425079 0.763343 B\n0.052106 0.425079 0.236657 B\n0.947894 0.925079 0.736657 B\n0.947894 0.925079 0.263343 B\n0.898491 0.174607 0.877488 B\n0.898491 0.174607 0.122512 B\n0.101509 0.674607 0.622512 B\n0.101509 0.674607 0.377488 B\n0.594415 0.160977 0.000000 B\n0.405585 0.660977 0.500000 B\n0.435401 0.161067 0.500000 P\n0.564599 0.661067 0.000000 P\n0.320750 0.200779 0.622773 O\n0.320750 0.200779 0.377227 O\n0.679250 0.700779 0.877227 O\n0.679250 0.700779 0.122773 O\n0.971090 0.231613 0.000000 O\n0.028910 0.731613 0.500000 O\n0.310168 0.658951 0.615424 O\n0.310168 0.658951 0.384576 O\n0.689832 0.158951 0.884576 O\n0.689832 0.158951 0.115424 O\n0.611448 0.270260 0.500000 O\n0.388552 0.770260 0.000000 O\n0.405457 0.143267 0.000000 O\n0.594543 0.643267 0.500000 O\n0.480055 0.979006 0.500000 O\n0.519945 0.479006 0.000000 O\n0.188920 0.462508 0.846672 O\n0.188920 0.462508 0.153328 O\n0.811080 0.962508 0.653328 O\n0.811080 0.962508 0.346672 O\n0.929615 0.294495 0.773394 O\n0.929615 0.294495 0.226606 O\n0.070385 0.794495 0.726606 O\n0.070385 0.794495 0.273394 O\n0.013969 0.517663 0.655222 O\n0.013969 0.517663 0.344778 O\n0.986031 0.017663 0.844778 O\n0.986031 0.017663 0.155222 O\n","nsites":48,"nelements":5,"elements":["Ba","Zn","B","P","O"],"chemical_system":"B-Ba-O-P-Zn","density":4.163878578073667,"density_atomic":0.07652634540450926,"volume":627.2349704703347,"volume_molar":7.869369337014164,"formula_full":"Ba6 Zn2 B10 P2 O28","formula_reduced":"Ba3ZnB5PO14","formula_anonymous":"ABC3D5E14","energy":-375.03098657,"energy_per_atom":-7.813145553541666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.79498657,"band_gap":4.8815,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012468,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.570000Z","spacegroup":31},{"id":"mp-1214611","created_at":"2022-09-04T14:47:25.773724Z","structure_string":"Ba6 Pr2 B18 O36\n1.0\n3.666928 -6.351305 0.000000\n3.666928 6.351305 0.000000\n0.000000 0.000000 17.851760\nBa Pr B O\n6 2 18 36\ndirect\n0.666667 0.333333 0.863860 Ba\n0.333333 0.666667 0.136140 Ba\n0.333333 0.666667 0.363860 Ba\n0.666667 0.333333 0.636140 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.546276 0.837048 0.916655 B\n0.453724 0.162952 0.083345 B\n0.290773 0.453724 0.916655 B\n0.453724 0.162952 0.416655 B\n0.709227 0.546276 0.083345 B\n0.546276 0.837048 0.583345 B\n0.162952 0.709227 0.916655 B\n0.709227 0.546276 0.416655 B\n0.837048 0.290773 0.083345 B\n0.290773 0.453724 0.583345 B\n0.837048 0.290773 0.416655 B\n0.162952 0.709227 0.583345 B\n0.503258 0.622319 0.750000 B\n0.496742 0.377681 0.250000 B\n0.119061 0.496742 0.750000 B\n0.880939 0.503258 0.250000 B\n0.377681 0.880939 0.750000 B\n0.622319 0.119061 0.250000 B\n0.540292 0.831436 0.750000 O\n0.459708 0.168564 0.250000 O\n0.291145 0.459708 0.750000 O\n0.708855 0.540292 0.250000 O\n0.168564 0.708855 0.750000 O\n0.831436 0.291145 0.250000 O\n0.922531 0.335161 0.750000 O\n0.077469 0.664839 0.250000 O\n0.412630 0.077469 0.750000 O\n0.587370 0.922531 0.250000 O\n0.664839 0.587370 0.750000 O\n0.335161 0.412630 0.250000 O\n0.743285 0.999197 0.915192 O\n0.256715 0.000803 0.084808 O\n0.255911 0.256715 0.915192 O\n0.256715 0.000803 0.415192 O\n0.744089 0.743285 0.084808 O\n0.743285 0.999197 0.584808 O\n0.000803 0.744089 0.915192 O\n0.744089 0.743285 0.415192 O\n0.999197 0.255911 0.084808 O\n0.255911 0.256715 0.584808 O\n0.999197 0.255911 0.415192 O\n0.000803 0.744089 0.584808 O\n0.498908 0.625519 0.917747 O\n0.501092 0.374481 0.082253 O\n0.126611 0.501092 0.917747 O\n0.501092 0.374481 0.417747 O\n0.873389 0.498908 0.082253 O\n0.498908 0.625519 0.582253 O\n0.374481 0.873389 0.917747 O\n0.873389 0.498908 0.417747 O\n0.625519 0.126611 0.082253 O\n0.126611 0.501092 0.582253 O\n0.625519 0.126611 0.417747 O\n0.374481 0.873389 0.582253 O\n","nsites":62,"nelements":4,"elements":["Ba","Pr","B","O"],"chemical_system":"B-Ba-O-Pr","density":3.747032144576555,"density_atomic":0.07456161441791752,"volume":831.5270596541844,"volume_molar":8.076730643526478,"formula_full":"Ba6 Pr2 B18 O36","formula_reduced":"Ba3Pr(BO2)9","formula_anonymous":"AB3C9D18","energy":-512.47236404,"energy_per_atom":-8.265683290967742,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-487.74036404,"band_gap":5.0748,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003916,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.850000Z","spacegroup":176},{"id":"mp-1194514","created_at":"2022-09-04T14:47:05.547290Z","structure_string":"Ba4 Zn4 B14 Pb2 O31\n1.0\n7.110699 0.000000 0.000000\n3.528807 6.209360 0.000000\n1.994869 2.339669 16.110304\nBa Zn B Pb O\n4 4 14 2 31\ndirect\n0.102043 0.076261 0.591742 Ba\n0.833699 0.657990 0.743536 Ba\n0.366407 0.924923 0.179561 Ba\n0.087344 0.509246 0.341713 Ba\n0.748259 0.794193 0.515320 Zn\n0.043586 0.599168 0.122833 Zn\n0.437444 0.794098 0.417356 Zn\n0.152051 0.986093 0.812809 Zn\n0.025048 0.465405 0.964775 B\n0.477294 0.427578 0.169163 B\n0.597236 0.207304 0.576027 B\n0.973017 0.110098 0.377824 B\n0.328398 0.276296 0.760011 B\n0.726087 0.993334 0.328956 B\n0.462564 0.593393 0.604339 B\n0.445962 0.552113 0.766695 B\n0.745839 0.034890 0.166333 B\n0.864440 0.309137 0.173868 B\n0.589471 0.379728 0.357893 B\n0.203893 0.046551 0.973032 B\n0.213124 0.476389 0.557055 B\n0.714636 0.156057 0.766803 B\n0.766128 0.946269 0.966364 Pb\n0.516848 0.541412 0.957394 Pb\n0.174754 0.246889 0.988084 O\n0.783195 0.887784 0.107341 O\n0.762070 0.999944 0.575204 O\n0.918406 0.987036 0.759652 O\n0.410619 0.697895 0.826593 O\n0.273032 0.592708 0.179297 O\n0.545454 0.109577 0.760486 O\n0.279666 0.478547 0.775975 O\n0.024353 0.349209 0.188864 O\n0.453220 0.666748 0.683592 O\n0.666962 0.355628 0.784133 O\n0.795361 0.320754 0.384048 O\n0.946667 0.965338 0.343107 O\n0.493872 0.744111 0.538515 O\n0.021233 0.510892 0.532148 O\n0.056857 0.036638 0.929482 O\n0.163117 0.074930 0.404698 O\n0.692782 0.843150 0.394792 O\n0.736572 0.920313 0.249624 O\n0.423214 0.585855 0.359681 O\n0.240886 0.621039 0.591247 O\n0.525801 0.231104 0.148581 O\n0.913077 0.107234 0.157641 O\n0.391146 0.266777 0.549819 O\n0.849009 0.550961 0.916426 O\n0.169873 0.235726 0.743444 O\n0.065616 0.608010 0.998232 O\n0.391259 0.868532 0.004455 O\n0.555834 0.227101 0.330624 O\n0.646772 0.475073 0.174696 O\n0.632584 0.359911 0.602298 O\n","nsites":55,"nelements":5,"elements":["Ba","Zn","B","Pb","O"],"chemical_system":"B-Ba-O-Pb-Zn","density":4.3716930406306975,"density_atomic":0.07732141963332682,"volume":711.316479454473,"volume_molar":7.788450843968152,"formula_full":"Ba4 Zn4 B14 Pb2 O31","formula_reduced":"Ba4Zn4B14Pb2O31","formula_anonymous":"A2B4C4D14E31","energy":-418.20838506,"energy_per_atom":-7.603788819272728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-396.91138506,"band_gap":3.6652,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005783,"is_theoretical":false,"updated_at":"2021-11-28T01:37:54.221000Z","spacegroup":1},{"id":"mp-1195127","created_at":"2022-09-04T14:46:29.504303Z","structure_string":"Ba12 Zn12 B42 Pb6 O93\n1.0\n3.592499 -6.222392 0.000000\n3.592499 6.222392 0.000000\n0.000000 0.000000 47.828570\nBa Zn B Pb O\n12 12 42 6 93\ndirect\n0.076661 0.240963 0.222893 Ba\n0.759037 0.835698 0.889560 Ba\n0.164302 0.923339 0.556227 Ba\n0.730972 0.812911 0.358781 Ba\n0.187089 0.918061 0.025448 Ba\n0.081939 0.269028 0.692115 Ba\n0.487056 0.238347 0.412973 Ba\n0.761653 0.248709 0.079639 Ba\n0.751291 0.512944 0.746306 Ba\n0.410093 0.814182 0.276340 Ba\n0.185818 0.595911 0.943007 Ba\n0.404089 0.589907 0.609673 Ba\n0.400816 0.144986 0.334427 Zn\n0.855014 0.255829 0.001094 Zn\n0.744171 0.599184 0.667760 Zn\n0.814564 0.902366 0.432015 Zn\n0.097634 0.912199 0.098681 Zn\n0.087801 0.185436 0.765348 Zn\n0.397441 0.889197 0.202798 Zn\n0.110803 0.508244 0.869465 Zn\n0.491756 0.602559 0.536132 Zn\n0.075049 0.144185 0.300715 Zn\n0.855815 0.930864 0.967382 Zn\n0.069136 0.924951 0.634049 Zn\n0.679956 0.730015 0.219462 B\n0.269985 0.949941 0.886128 B\n0.050059 0.320044 0.552795 B\n0.781407 0.676460 0.286368 B\n0.323540 0.104947 0.953034 B\n0.895053 0.218593 0.619701 B\n0.105596 0.288380 0.360599 B\n0.711620 0.817216 0.027266 B\n0.182784 0.894404 0.693932 B\n0.107251 0.333870 0.415330 B\n0.666130 0.773381 0.081996 B\n0.226619 0.892749 0.748663 B\n0.513638 0.290016 0.273859 B\n0.709984 0.223622 0.940525 B\n0.776378 0.486362 0.607192 B\n0.947829 0.614553 0.221697 B\n0.385447 0.333276 0.888364 B\n0.666724 0.052171 0.555031 B\n0.223200 0.674989 0.348202 B\n0.325011 0.548211 0.014868 B\n0.451789 0.776800 0.681535 B\n0.377448 0.733535 0.414734 B\n0.266465 0.643913 0.081401 B\n0.356087 0.622552 0.748068 B\n0.993947 0.619812 0.413835 B\n0.380188 0.374136 0.080502 B\n0.625864 0.006053 0.747169 B\n0.550410 0.329812 0.219286 B\n0.670188 0.220598 0.885953 B\n0.779402 0.449590 0.552620 B\n0.908933 0.418196 0.282037 B\n0.581804 0.490738 0.948703 B\n0.509262 0.091067 0.615370 B\n0.388545 0.040961 0.482755 B\n0.959039 0.347584 0.149422 B\n0.652416 0.611455 0.816089 B\n0.839153 0.417229 0.353316 B\n0.582771 0.421924 0.019983 B\n0.578076 0.160847 0.686650 B\n0.213963 0.758742 0.148921 B\n0.241258 0.455221 0.815587 B\n0.544779 0.786037 0.482254 B\n0.134973 0.240487 0.485064 Pb\n0.759513 0.894486 0.151731 Pb\n0.105514 0.865027 0.818397 Pb\n0.848710 0.560662 0.485965 Pb\n0.439338 0.288048 0.152632 Pb\n0.711952 0.151290 0.819299 Pb\n0.884524 0.254607 0.354012 O\n0.745393 0.629917 0.020678 O\n0.370083 0.115476 0.687345 O\n0.155640 0.662102 0.224200 O\n0.337898 0.493538 0.890867 O\n0.506462 0.844360 0.557533 O\n0.831722 0.665393 0.413396 O\n0.334607 0.166329 0.080063 O\n0.833671 0.168278 0.746729 O\n0.440121 0.220987 0.244983 O\n0.779013 0.219134 0.911650 O\n0.780866 0.559879 0.578317 O\n0.067855 0.182553 0.438365 O\n0.817447 0.885302 0.105032 O\n0.114698 0.932145 0.771698 O\n0.432321 0.175483 0.196442 O\n0.824517 0.256837 0.863109 O\n0.743163 0.567679 0.529776 O\n0.634861 0.384136 0.355121 O\n0.615864 0.250725 0.021788 O\n0.749275 0.365139 0.688454 O\n0.109379 0.222543 0.389693 O\n0.777457 0.886837 0.056359 O\n0.113163 0.890621 0.723026 O\n0.579570 0.900255 0.410238 O\n0.099745 0.679315 0.076905 O\n0.320685 0.420430 0.743572 O\n0.785646 0.403513 0.219034 O\n0.596487 0.382132 0.885701 O\n0.617868 0.214354 0.552368 O\n0.646575 0.899942 0.222113 O\n0.100058 0.746632 0.888779 O\n0.253368 0.353425 0.555446 O\n0.081284 0.386486 0.280749 O\n0.613514 0.694798 0.947415 O\n0.305202 0.918716 0.614082 O\n0.386699 0.865531 0.338708 O\n0.134469 0.521167 0.005374 O\n0.478833 0.613301 0.672041 O\n0.328507 0.526810 0.420195 O\n0.473190 0.801697 0.086862 O\n0.198303 0.671493 0.753529 O\n0.578266 0.520410 0.278284 O\n0.479590 0.057856 0.944950 O\n0.942144 0.421734 0.611617 O\n0.129351 0.142059 0.341909 O\n0.857941 0.987293 0.008576 O\n0.012707 0.870649 0.675243 O\n0.346039 0.145833 0.292979 O\n0.854167 0.200206 0.959646 O\n0.799794 0.653961 0.626313 O\n0.896478 0.779914 0.221805 O\n0.220086 0.116564 0.888472 O\n0.883436 0.103522 0.555139 O\n0.729666 0.791598 0.472172 O\n0.208402 0.938068 0.138838 O\n0.061932 0.270334 0.805505 O\n0.807733 0.867598 0.295502 O\n0.132402 0.940135 0.962168 O\n0.059865 0.192267 0.628835 O\n0.952255 0.632437 0.285129 O\n0.367563 0.319818 0.951795 O\n0.680182 0.047745 0.618462 O\n0.451803 0.248000 0.473368 O\n0.752000 0.203803 0.140035 O\n0.796197 0.548197 0.806702 O\n0.196551 0.927130 0.496791 O\n0.072870 0.269422 0.163458 O\n0.730578 0.803449 0.830125 O\n0.945220 0.407974 0.414783 O\n0.592026 0.537246 0.081450 O\n0.462754 0.054780 0.748117 O\n0.009266 0.632517 0.350710 O\n0.367483 0.376749 0.017376 O\n0.623251 0.990734 0.684043 O\n0.521977 0.522959 0.214199 O\n0.477041 0.999018 0.880866 O\n0.000982 0.478023 0.547533 O\n0.701708 0.255771 0.279950 O\n0.744229 0.445937 0.946616 O\n0.554063 0.298292 0.613283 O\n0.379945 0.772464 0.164311 O\n0.227536 0.607480 0.830978 O\n0.392520 0.620055 0.497644 O\n0.210610 0.784645 0.413655 O\n0.215355 0.425965 0.080322 O\n0.574035 0.789390 0.746989 O\n0.271054 0.517983 0.355495 O\n0.482017 0.753071 0.022161 O\n0.246929 0.728946 0.688828 O\n0.532623 0.969890 0.475760 O\n0.030110 0.562732 0.142426 O\n0.437268 0.467377 0.809093 O\n","nsites":165,"nelements":5,"elements":["Ba","Zn","B","Pb","O"],"chemical_system":"B-Ba-O-Pb-Zn","density":4.362770521112034,"density_atomic":0.07716360849025773,"volume":2138.313684757654,"volume_molar":7.804379393118095,"formula_full":"Ba12 Zn12 B42 Pb6 O93","formula_reduced":"Ba4Zn4B14Pb2O31","formula_anonymous":"A2B4C4D14E31","energy":-1254.9432065,"energy_per_atom":-7.6057164030303035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1191.0522065,"band_gap":3.6828,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0145373,"is_theoretical":false,"updated_at":"2021-11-28T01:37:40.867000Z","spacegroup":145},{"id":"mp-1194748","created_at":"2022-09-04T14:46:24.977863Z","structure_string":"Ba8 Zn8 B28 Pb4 O62\n1.0\n6.184653 3.562101 0.000000\n-6.184653 3.562101 0.000000\n0.000000 1.463776 32.102671\nBa Zn B Pb O\n8 8 28 4 62\ndirect\n0.522927 0.663125 0.375354 Ba\n0.663125 0.522927 0.875354 Ba\n0.389516 0.213345 0.749983 Ba\n0.213345 0.389516 0.249983 Ba\n0.789761 0.877198 0.672380 Ba\n0.877198 0.789761 0.172380 Ba\n0.870589 0.265602 0.452610 Ba\n0.265602 0.870589 0.952610 Ba\n0.508073 0.577900 0.485114 Zn\n0.577900 0.508073 0.985114 Zn\n0.844936 0.343011 0.337514 Zn\n0.343011 0.844936 0.837514 Zn\n0.709164 0.890292 0.788294 Zn\n0.890292 0.709164 0.288294 Zn\n0.469439 0.230342 0.640286 Zn\n0.230342 0.469439 0.140286 Zn\n0.363398 0.874180 0.462882 B\n0.874180 0.363398 0.962882 B\n0.882221 0.594241 0.768131 B\n0.594241 0.882221 0.268131 B\n0.001116 0.778044 0.381694 B\n0.778044 0.001116 0.881694 B\n0.402907 0.046560 0.367623 B\n0.046560 0.402907 0.867623 B\n0.245412 0.142507 0.458579 B\n0.142507 0.245412 0.958579 B\n0.911851 0.495487 0.666774 B\n0.495487 0.911851 0.166774 B\n0.309615 0.775247 0.662326 B\n0.775247 0.309615 0.162326 B\n0.360703 0.369524 0.564729 B\n0.369524 0.360703 0.064729 B\n0.182214 0.379252 0.663796 B\n0.379252 0.182214 0.163796 B\n0.005922 0.332566 0.758215 B\n0.332566 0.005922 0.258215 B\n0.141805 0.171227 0.358355 B\n0.171227 0.141805 0.858355 B\n0.945639 0.115219 0.565469 B\n0.115219 0.945639 0.065469 B\n0.965137 0.745363 0.463049 B\n0.745363 0.965137 0.963049 B\n0.274576 0.734969 0.744221 B\n0.734969 0.274576 0.244221 B\n0.492265 0.917884 0.562840 Pb\n0.917884 0.492265 0.062840 Pb\n0.894293 0.593197 0.559331 Pb\n0.593197 0.894293 0.059331 Pb\n0.384033 0.846267 0.704481 O\n0.846267 0.384033 0.204481 O\n0.380017 0.541583 0.541884 O\n0.541583 0.380017 0.041884 O\n0.535217 0.842251 0.458610 O\n0.842251 0.535217 0.958610 O\n0.074428 0.706660 0.657987 O\n0.706660 0.074428 0.157987 O\n0.611360 0.088764 0.367365 O\n0.088764 0.611360 0.867365 O\n0.536570 0.362702 0.581325 O\n0.362702 0.536570 0.081325 O\n0.419736 0.854434 0.777197 O\n0.854434 0.419736 0.277197 O\n0.790981 0.601888 0.493570 O\n0.601888 0.790981 0.993570 O\n0.889090 0.667780 0.421578 O\n0.667780 0.889090 0.921578 O\n0.883018 0.633437 0.348751 O\n0.633437 0.883018 0.848751 O\n0.413329 0.093054 0.459503 O\n0.093054 0.413329 0.959503 O\n0.034285 0.979920 0.466844 O\n0.979920 0.034285 0.966844 O\n0.154484 0.713294 0.472343 O\n0.713294 0.154484 0.972343 O\n0.074561 0.757009 0.751085 O\n0.757009 0.074561 0.251085 O\n0.703951 0.449035 0.674388 O\n0.449035 0.703951 0.174388 O\n0.236645 0.843814 0.380868 O\n0.843814 0.236645 0.880868 O\n0.294045 0.350044 0.449622 O\n0.350044 0.294045 0.949622 O\n0.119657 0.342973 0.346367 O\n0.342973 0.119657 0.846367 O\n0.963427 0.124010 0.758583 O\n0.124010 0.963427 0.258583 O\n0.844523 0.379333 0.771046 O\n0.379333 0.844523 0.271046 O\n0.217083 0.210207 0.670253 O\n0.210207 0.217083 0.170253 O\n0.797004 0.911342 0.582627 O\n0.911342 0.797004 0.082627 O\n0.978977 0.977980 0.375034 O\n0.977980 0.978977 0.875034 O\n0.871925 0.233327 0.543699 O\n0.233327 0.871925 0.043699 O\n0.712092 0.615868 0.781583 O\n0.615868 0.712092 0.281583 O\n0.454009 0.952807 0.633115 O\n0.952807 0.454009 0.133115 O\n0.356123 0.207513 0.354479 O\n0.207513 0.356123 0.854479 O\n0.962312 0.328504 0.666929 O\n0.328504 0.962312 0.166929 O\n0.209284 0.499360 0.745391 O\n0.499360 0.209284 0.245391 O\n0.162234 0.180180 0.573014 O\n0.180180 0.162234 0.073014 O\n0.341223 0.586473 0.652849 O\n0.586473 0.341223 0.152849 O\n","nsites":110,"nelements":5,"elements":["Ba","Zn","B","Pb","O"],"chemical_system":"B-Ba-O-Pb-Zn","density":4.3969324687593945,"density_atomic":0.07776782526965728,"volume":1414.4667106040158,"volume_molar":7.743743301446879,"formula_full":"Ba8 Zn8 B28 Pb4 O62","formula_reduced":"Ba4Zn4B14Pb2O31","formula_anonymous":"A2B4C4D14E31","energy":-836.46116909,"energy_per_atom":-7.6041924462727275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-793.86716909,"band_gap":3.6902,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0296385,"is_theoretical":false,"updated_at":"2021-11-28T01:37:36.659000Z","spacegroup":9},{"id":"mp-1194549","created_at":"2022-09-04T14:41:50.813981Z","structure_string":"Ba4 B12 Pb2 O24\n1.0\n12.930700 -3.640773 0.000000\n12.930700 3.640773 0.000000\n11.905602 0.000000 6.222127\nBa B Pb O\n4 12 2 24\ndirect\n0.148856 0.148856 0.148856 Ba\n0.648856 0.648856 0.648856 Ba\n0.851144 0.851144 0.851144 Ba\n0.351144 0.351144 0.351144 Ba\n0.498589 0.245918 0.633820 B\n0.633820 0.498589 0.245918 B\n0.245918 0.633820 0.498589 B\n0.133820 0.745918 0.998589 B\n0.998589 0.133820 0.745918 B\n0.745918 0.998589 0.133820 B\n0.501411 0.754082 0.366180 B\n0.366180 0.501411 0.754082 B\n0.754082 0.366180 0.501411 B\n0.866180 0.254082 0.001411 B\n0.001411 0.866180 0.254082 B\n0.254082 0.001411 0.866180 B\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n0.288875 0.420871 0.665071 O\n0.665071 0.288875 0.420871 O\n0.420871 0.665071 0.288875 O\n0.165071 0.920871 0.788875 O\n0.788875 0.165071 0.920871 O\n0.920871 0.788875 0.165071 O\n0.711125 0.579129 0.334929 O\n0.334929 0.711125 0.579129 O\n0.579129 0.334929 0.711125 O\n0.834929 0.079129 0.211125 O\n0.211125 0.834929 0.079129 O\n0.079129 0.211125 0.834929 O\n0.053292 0.802527 0.531262 O\n0.531262 0.053292 0.802528 O\n0.802528 0.531262 0.053292 O\n0.031262 0.302527 0.553292 O\n0.553292 0.031262 0.302528 O\n0.302528 0.553292 0.031262 O\n0.946708 0.197472 0.468738 O\n0.468738 0.946708 0.197473 O\n0.197472 0.468738 0.946708 O\n0.968738 0.697472 0.446708 O\n0.446708 0.968738 0.697472 O\n0.697472 0.446708 0.968738 O\n","nsites":42,"nelements":4,"elements":["Ba","B","Pb","O"],"chemical_system":"B-Ba-O-Pb","density":4.187648420635621,"density_atomic":0.07169102434324444,"volume":585.8473970034399,"volume_molar":8.400132115795994,"formula_full":"Ba4 B12 Pb2 O24","formula_reduced":"Ba2B6PbO12","formula_anonymous":"AB2C6D12","energy":-335.95088666,"energy_per_atom":-7.998830634761904,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-319.46288666,"band_gap":4.233700000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021432,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.151000Z","spacegroup":167},{"id":"mp-1229148","created_at":"2022-09-04T14:40:42.770778Z","structure_string":"Ba13 B30 Pb2 O60\n1.0\n3.635125 6.981811 0.000000\n-3.635125 6.981811 0.000000\n0.000000 2.482113 30.026944\nBa B Pb O\n13 30 2 60\ndirect\n0.877478 0.478130 0.760073 Ba\n0.477360 0.077389 0.960386 Ba\n0.077352 0.677466 0.160416 Ba\n0.676461 0.275934 0.360799 Ba\n0.276608 0.876584 0.560469 Ba\n0.922611 0.522640 0.039614 Ba\n0.521870 0.122522 0.239927 Ba\n0.123416 0.723392 0.439531 Ba\n0.724066 0.323539 0.639201 Ba\n0.322534 0.922648 0.839584 Ba\n0.600165 0.200007 0.799974 Ba\n0.199975 0.800025 0.000000 Ba\n0.799993 0.399835 0.200026 Ba\n0.105169 0.558850 0.926377 B\n0.705172 0.158815 0.126390 B\n0.305242 0.762215 0.326597 B\n0.903728 0.363222 0.526516 B\n0.503665 0.959772 0.726312 B\n0.114665 0.471380 0.848419 B\n0.714683 0.071401 0.048430 B\n0.314837 0.671309 0.248754 B\n0.918884 0.270204 0.448669 B\n0.518757 0.870245 0.648326 B\n0.812729 0.802594 0.877705 B\n0.412749 0.402611 0.077711 B\n0.012347 0.002400 0.277743 B\n0.613899 0.603275 0.476779 B\n0.214260 0.203462 0.676745 B\n0.597389 0.587251 0.922289 B\n0.197406 0.187271 0.122295 B\n0.796538 0.785740 0.323255 B\n0.396725 0.386101 0.523221 B\n0.997600 0.987653 0.722257 B\n0.841185 0.294828 0.873610 B\n0.441150 0.894831 0.073623 B\n0.040228 0.496335 0.273688 B\n0.636778 0.096272 0.473484 B\n0.237785 0.694758 0.673403 B\n0.928599 0.285317 0.951570 B\n0.528620 0.885335 0.151581 B\n0.129755 0.481243 0.351674 B\n0.729796 0.081116 0.551331 B\n0.328691 0.685163 0.751246 B\n0.399907 0.000073 0.400012 Pb\n0.999927 0.600093 0.599988 Pb\n0.206346 0.427209 0.890016 O\n0.806342 0.027197 0.090025 O\n0.405711 0.627957 0.290532 O\n0.005945 0.227842 0.490764 O\n0.606614 0.827055 0.690245 O\n0.921655 0.664576 0.842730 O\n0.521713 0.264613 0.042736 O\n0.122147 0.864514 0.242787 O\n0.724323 0.461330 0.442532 O\n0.323851 0.061412 0.642471 O\n0.912767 0.749293 0.918579 O\n0.512775 0.349285 0.118589 O\n0.111657 0.950247 0.318622 O\n0.709968 0.551192 0.518158 O\n0.311046 0.150223 0.718123 O\n0.650715 0.487225 0.881411 O\n0.250707 0.087233 0.081421 O\n0.849777 0.688954 0.281877 O\n0.448808 0.290032 0.481842 O\n0.049753 0.888343 0.681378 O\n0.972803 0.193658 0.909975 O\n0.572791 0.793654 0.109984 O\n0.172945 0.393386 0.309755 O\n0.772158 0.994055 0.509236 O\n0.372043 0.594289 0.709468 O\n0.735387 0.478287 0.957264 O\n0.335424 0.078345 0.157270 O\n0.938588 0.676149 0.357529 O\n0.538670 0.275677 0.557468 O\n0.135486 0.877853 0.757213 O\n0.189229 0.500480 0.966092 O\n0.789187 0.100431 0.166109 O\n0.390288 0.706638 0.366394 O\n0.988598 0.308186 0.566373 O\n0.587483 0.901914 0.766085 O\n0.201068 0.338243 0.815712 O\n0.801123 0.938202 0.015733 O\n0.401484 0.537999 0.216068 O\n0.009401 0.136661 0.415776 O\n0.609026 0.736832 0.615427 O\n0.622550 0.974501 0.873490 O\n0.222578 0.574506 0.073496 O\n0.821560 0.173804 0.273541 O\n0.424437 0.777648 0.471835 O\n0.025418 0.378291 0.671791 O\n0.425494 0.777422 0.926504 O\n0.025499 0.377450 0.126510 O\n0.621709 0.974582 0.328209 O\n0.222352 0.575563 0.528165 O\n0.826196 0.178440 0.726459 O\n0.899569 0.210813 0.833891 O\n0.499520 0.810771 0.033908 O\n0.098086 0.412517 0.233915 O\n0.691814 0.011402 0.433627 O\n0.293362 0.609712 0.633606 O\n0.061798 0.198877 0.984267 O\n0.661757 0.798932 0.184288 O\n0.263168 0.390974 0.384573 O\n0.863339 0.990599 0.584224 O\n0.462001 0.598516 0.783932 O\n","nsites":105,"nelements":4,"elements":["Ba","B","Pb","O"],"chemical_system":"B-Ba-O-Pb","density":3.7956994815968064,"density_atomic":0.0688907212862747,"volume":1524.1530069582745,"volume_molar":8.741584712076179,"formula_full":"Ba13 B30 Pb2 O60","formula_reduced":"Ba13B30(PbO30)2","formula_anonymous":"A2B13C30D60","energy":-845.61147348,"energy_per_atom":-8.053442604571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-804.39147348,"band_gap":4.0522,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0373286,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.834000Z","spacegroup":5},{"id":"mp-9712","created_at":"2022-09-04T14:40:31.943351Z","structure_string":"Ba6 B2 P2 O6\n1.0\n2.787534 -4.828150 0.000000\n2.787534 4.828150 0.000000\n0.000000 0.000000 13.708760\nBa B P O\n6 2 2 6\ndirect\n0.333333 0.666667 0.401835 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.666667 0.333333 0.901835 Ba\n0.666667 0.333333 0.598165 Ba\n0.333333 0.666667 0.098165 Ba\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.750000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.478151 0.956301 0.750000 O\n0.521849 0.478151 0.250000 O\n0.521849 0.043699 0.250000 O\n0.043699 0.521849 0.750000 O\n0.478151 0.521849 0.750000 O\n0.956301 0.478151 0.250000 O\n","nsites":16,"nelements":4,"elements":["Ba","B","P","O"],"chemical_system":"B-Ba-O-P","density":4.5159535129146615,"density_atomic":0.04336016101497034,"volume":369.0023197671224,"volume_molar":13.888649440025885,"formula_full":"Ba6 B2 P2 O6","formula_reduced":"Ba3BPO3","formula_anonymous":"ABC3D3","energy":-105.31810203,"energy_per_atom":-6.582381376875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.19610203,"band_gap":1.4667000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039812,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.338000Z","spacegroup":194},{"id":"mp-15840","created_at":"2022-09-04T14:48:27.902974Z","structure_string":"Ba3 B3 P3 O15\n1.0\n3.614313 -6.260173 0.000000\n3.614313 6.260173 0.000000\n0.000000 0.000000 7.062929\nBa B P O\n3 3 3 15\ndirect\n0.606778 0.606778 0.000000 Ba\n0.000000 0.393222 0.666667 Ba\n0.393222 0.000000 0.333333 Ba\n0.092866 0.092866 0.000000 B\n0.000000 0.907134 0.666667 B\n0.907134 0.000000 0.333333 B\n0.612389 0.612389 0.500000 P\n0.000000 0.387611 0.166667 P\n0.387611 0.000000 0.833333 P\n0.857434 0.425456 0.034258 O\n0.574544 0.431978 0.367591 O\n0.568022 0.142566 0.700924 O\n0.960363 0.000000 0.833333 O\n0.000000 0.960363 0.166667 O\n0.039637 0.039637 0.500000 O\n0.320414 0.138586 0.963819 O\n0.861414 0.181827 0.297153 O\n0.818173 0.679586 0.630486 O\n0.181827 0.861414 0.702847 O\n0.679586 0.818173 0.369514 O\n0.138586 0.320414 0.036181 O\n0.425456 0.857434 0.965742 O\n0.142566 0.568022 0.299076 O\n0.431978 0.574544 0.632409 O\n","nsites":24,"nelements":4,"elements":["Ba","B","P","O"],"chemical_system":"B-Ba-O-P","density":4.03855052304492,"density_atomic":0.07509038146553408,"volume":319.61483656885963,"volume_molar":8.019856395008617,"formula_full":"Ba3 B3 P3 O15","formula_reduced":"BaBPO5","formula_anonymous":"ABCD5","energy":-191.06572925,"energy_per_atom":-7.961072052083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.76072925,"band_gap":5.503299999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0019346,"is_theoretical":false,"updated_at":"2021-11-28T01:39:20.785000Z","spacegroup":152},{"id":"mp-6578","created_at":"2022-09-04T14:46:17.724985Z","structure_string":"Ba12 B4 P12 O48\n1.0\n-3.597494 7.239348 11.310691\n3.597494 -7.239348 11.310691\n3.597494 7.239348 -11.310691\nBa B P O\n12 4 12 48\ndirect\n0.569312 0.750000 0.319312 Ba\n0.930688 0.250000 0.180688 Ba\n0.430688 0.250000 0.680688 Ba\n0.069312 0.750000 0.819312 Ba\n0.211078 0.673447 0.236426 Ba\n0.288922 0.525348 0.462369 Ba\n0.562979 0.826553 0.037631 Ba\n0.937021 0.974652 0.263574 Ba\n0.788922 0.326553 0.763574 Ba\n0.711078 0.474652 0.537631 Ba\n0.437021 0.173447 0.962369 Ba\n0.062979 0.025348 0.736426 Ba\n0.167161 0.417161 0.750000 B\n0.832839 0.582839 0.250000 B\n0.667161 0.917161 0.750000 B\n0.332839 0.082839 0.250000 B\n0.964719 0.505218 0.788509 P\n0.535281 0.323790 0.540499 P\n0.283291 0.994782 0.959501 P\n0.216709 0.176210 0.711491 P\n0.035281 0.494782 0.211491 P\n0.464719 0.676210 0.459501 P\n0.716709 0.005218 0.040499 P\n0.783291 0.823790 0.288509 P\n0.324270 0.750000 0.074270 P\n0.175730 0.250000 0.425730 P\n0.675730 0.250000 0.925730 P\n0.824270 0.750000 0.574270 P\n0.070579 0.351150 0.177633 O\n0.570579 0.392945 0.719429 O\n0.173516 0.851150 0.780571 O\n0.326484 0.107055 0.677633 O\n0.952323 0.615946 0.333663 O\n0.547677 0.881340 0.663623 O\n0.717717 0.884054 0.836377 O\n0.782283 0.618660 0.166337 O\n0.047677 0.384054 0.666337 O\n0.452323 0.118660 0.336377 O\n0.282283 0.115946 0.163623 O\n0.217717 0.381340 0.833663 O\n0.705603 0.783615 0.580941 O\n0.794397 0.375338 0.078012 O\n0.368041 0.735777 0.522854 O\n0.702674 0.124662 0.919059 O\n0.294397 0.216385 0.419059 O\n0.205603 0.624662 0.921988 O\n0.202674 0.283615 0.578012 O\n0.297326 0.875338 0.080941 O\n0.673516 0.892945 0.322367 O\n0.929421 0.648850 0.822367 O\n0.826484 0.148850 0.219429 O\n0.429421 0.607055 0.280571 O\n0.880844 0.975714 0.496336 O\n0.619156 0.115491 0.094870 O\n0.520621 0.524286 0.405130 O\n0.979379 0.384509 0.003664 O\n0.119156 0.024286 0.503664 O\n0.380844 0.884509 0.905130 O\n0.479379 0.475714 0.594870 O\n0.020621 0.615491 0.996336 O\n0.912215 0.928865 0.784692 O\n0.587785 0.372477 0.016650 O\n0.855827 0.571135 0.483350 O\n0.644173 0.127523 0.715308 O\n0.087785 0.071135 0.215308 O\n0.412215 0.627523 0.983350 O\n0.144173 0.428865 0.516650 O\n0.355827 0.872477 0.284692 O\n0.287078 0.154813 0.022854 O\n0.212922 0.235777 0.867736 O\n0.868041 0.345187 0.632264 O\n0.631959 0.264223 0.477146 O\n0.712922 0.845187 0.977146 O\n0.787078 0.764223 0.132264 O\n0.131959 0.654813 0.367736 O\n0.797326 0.716385 0.421988 O\n","nsites":76,"nelements":4,"elements":["Ba","B","P","O"],"chemical_system":"B-Ba-O-P","density":3.9894530432710007,"density_atomic":0.06450077469243733,"volume":1178.280421628966,"volume_molar":9.336540202370765,"formula_full":"Ba12 B4 P12 O48","formula_reduced":"Ba3B(PO4)3","formula_anonymous":"AB3C3D12","energy":-593.62679089,"energy_per_atom":-7.810878827500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-560.65079089,"band_gap":5.0114,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0097672,"is_theoretical":false,"updated_at":"2021-11-28T01:37:29.424000Z","spacegroup":73},{"id":"mp-554479","created_at":"2022-09-04T14:42:20.379374Z","structure_string":"Ba6 B2 P2 O14\n1.0\n2.800027 -4.849788 0.000000\n2.800027 4.849788 0.000000\n0.000000 0.000000 14.900466\nBa B P O\n6 2 2 14\ndirect\n0.000000 0.000000 0.720442 Ba\n0.333333 0.666667 0.382554 Ba\n0.000000 0.000000 0.220442 Ba\n0.666667 0.333333 0.882554 Ba\n0.666667 0.333333 0.598498 Ba\n0.333333 0.666667 0.098498 Ba\n0.333333 0.666667 0.741715 B\n0.666667 0.333333 0.241715 B\n0.000000 0.000000 0.995674 P\n0.000000 0.000000 0.495674 P\n0.522225 0.044451 0.242282 O\n0.000000 0.000000 0.391564 O\n0.477775 0.955549 0.742282 O\n0.849540 0.699079 0.032002 O\n0.150460 0.849540 0.532002 O\n0.699079 0.849540 0.532002 O\n0.300921 0.150460 0.032002 O\n0.955549 0.477775 0.242282 O\n0.044451 0.522225 0.742282 O\n0.849540 0.150460 0.032002 O\n0.522225 0.477775 0.242282 O\n0.000000 0.000000 0.891564 O\n0.150460 0.300921 0.532002 O\n0.477775 0.522225 0.742282 O\n","nsites":24,"nelements":4,"elements":["Ba","B","P","O"],"chemical_system":"B-Ba-O-P","density":4.642989600377488,"density_atomic":0.05930569796543091,"volume":404.6828689882297,"volume_molar":10.15440500086566,"formula_full":"Ba6 B2 P2 O14","formula_reduced":"Ba3BPO7","formula_anonymous":"ABC3D7","energy":-182.02764323,"energy_per_atom":-7.584485134583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.40964323,"band_gap":3.3373,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0035183,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.045000Z","spacegroup":186},{"id":"mp-1214745","created_at":"2022-09-04T14:43:56.109943Z","structure_string":"Ba4 B2 P4 O16\n1.0\n-3.674629 3.674629 7.325950\n3.674629 -3.674629 7.325950\n3.674629 3.674629 -7.325950\nBa B P O\n4 2 4 16\ndirect\n0.252599 0.625000 0.127599 Ba\n0.497401 0.125000 0.872401 Ba\n0.375000 0.502599 0.627599 Ba\n0.875000 0.747401 0.372401 Ba\n0.750000 0.250000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.724551 0.625000 0.599551 P\n0.025449 0.125000 0.400449 P\n0.375000 0.974551 0.099551 P\n0.875000 0.275449 0.900449 P\n0.800376 0.471182 0.658247 O\n0.812936 0.142129 0.341753 O\n0.528818 0.187064 0.329193 O\n0.949624 0.107871 0.170807 O\n0.857871 0.199624 0.670807 O\n0.937064 0.778818 0.829193 O\n0.221182 0.050376 0.158247 O\n0.892129 0.062936 0.841753 O\n0.657877 0.534728 0.342408 O\n0.192320 0.315469 0.657592 O\n0.465272 0.807680 0.123149 O\n0.092123 0.934531 0.376851 O\n0.684531 0.342123 0.876851 O\n0.557680 0.715272 0.623149 O\n0.284728 0.907877 0.842408 O\n0.065469 0.442320 0.157592 O\n","nsites":26,"nelements":4,"elements":["Ba","B","P","O"],"chemical_system":"B-Ba-O-P","density":3.9901974682655266,"density_atomic":0.0657086296501004,"volume":395.6862308413743,"volume_molar":9.164916072771575,"formula_full":"Ba4 B2 P4 O16","formula_reduced":"Ba2B(PO4)2","formula_anonymous":"AB2C2D8","energy":-197.2852422,"energy_per_atom":-7.587893930769231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.2932422,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.9282145,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.334000Z","spacegroup":122}]}