{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=10237","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=10235","results":[{"id":"mp-1201878","created_at":"2022-09-04T14:40:56.837619Z","structure_string":"Ba2 U4 P4 O38\n1.0\n16.003877 0.000000 0.000000\n0.000000 7.046348 0.000000\n0.000000 0.108717 7.052490\nBa U P O\n2 4 4 38\ndirect\n0.816500 0.206022 0.555667 Ba\n0.316500 0.793978 0.444333 Ba\n0.567694 0.529110 0.461688 U\n0.067694 0.470890 0.538312 U\n0.673816 0.037875 0.975897 U\n0.173816 0.962125 0.024103 U\n0.622298 0.540653 0.958490 P\n0.122298 0.459347 0.041510 P\n0.617450 0.045019 0.459804 P\n0.117450 0.954981 0.540196 P\n0.681168 0.484256 0.475773 O\n0.181168 0.515744 0.524227 O\n0.562155 0.024526 0.010299 O\n0.062155 0.975474 0.989701 O\n0.574346 0.850889 0.452195 O\n0.074346 0.149111 0.547805 O\n0.552428 0.207148 0.439145 O\n0.052428 0.792852 0.560855 O\n0.563666 0.540369 0.782651 O\n0.063666 0.459631 0.217349 O\n0.688046 0.062923 0.306017 O\n0.188046 0.937077 0.693983 O\n0.569974 0.544967 0.143392 O\n0.069974 0.455033 0.856608 O\n0.680253 0.718524 0.949255 O\n0.180253 0.281476 0.050745 O\n0.677574 0.359317 0.957360 O\n0.177574 0.640683 0.042640 O\n0.664345 0.066564 0.652398 O\n0.164345 0.933436 0.347602 O\n0.452227 0.563365 0.455616 O\n0.952227 0.436635 0.544384 O\n0.787348 0.056651 0.924276 O\n0.287348 0.943349 0.075724 O\n0.847275 0.707770 0.679186 O\n0.347275 0.292230 0.320814 O\n0.917874 0.959781 0.260697 O\n0.417874 0.040219 0.739303 O\n0.851256 0.386886 0.168007 O\n0.351256 0.613114 0.831993 O\n0.895099 0.815899 0.774157 O\n0.395099 0.184101 0.225843 O\n0.398832 0.621798 0.968848 O\n0.898832 0.378202 0.031152 O\n0.810053 0.783556 0.531861 O\n0.310053 0.216444 0.468139 O\n0.417624 0.199943 0.807507 O\n0.917624 0.800057 0.192493 O\n","nsites":48,"nelements":4,"elements":["Ba","U","P","O"],"chemical_system":"Ba-O-P-U","density":4.0895202568596805,"density_atomic":0.06035447346346015,"volume":795.3014457007929,"volume_molar":9.97795260967015,"formula_full":"Ba2 U4 P4 O38","formula_reduced":"BaU2P2O19","formula_anonymous":"AB2C2D19","energy":-351.61145324,"energy_per_atom":-7.325238609166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-351.61145324,"band_gap":0.6748,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0063897,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.033000Z","spacegroup":4},{"id":"mp-505025","created_at":"2022-09-04T14:46:22.829317Z","structure_string":"Ba4 Pu4 O12\n1.0\n6.202196 0.000000 0.000000\n0.000000 6.239043 0.000000\n0.000000 0.000000 8.761873\nBa Pu O\n4 4 12\ndirect\n0.985051 0.004604 0.250000 Ba\n0.485051 0.495396 0.250000 Ba\n0.514949 0.504604 0.750000 Ba\n0.014949 0.995396 0.750000 Ba\n0.500000 0.000000 0.000000 Pu\n0.000000 0.500000 0.500000 Pu\n0.000000 0.500000 0.000000 Pu\n0.500000 0.000000 0.500000 Pu\n0.510728 0.931608 0.250000 O\n0.010728 0.568392 0.250000 O\n0.989272 0.431608 0.750000 O\n0.489272 0.068392 0.750000 O\n0.728379 0.271298 0.036419 O\n0.228379 0.228702 0.463581 O\n0.771621 0.771298 0.963581 O\n0.271621 0.728702 0.536419 O\n0.271621 0.728702 0.963581 O\n0.771621 0.771298 0.536419 O\n0.228379 0.228702 0.036419 O\n0.728379 0.271298 0.463581 O\n","nsites":20,"nelements":3,"elements":["Ba","Pu","O"],"chemical_system":"Ba-O-Pu","density":8.41075631518545,"density_atomic":0.05898880201489399,"volume":339.0474008092287,"volume_molar":10.208955859926567,"formula_full":"Ba4 Pu4 O12","formula_reduced":"BaPuO3","formula_anonymous":"ABC3","energy":-192.88439964,"energy_per_atom":-9.644219982,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.64039964,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9973912,"is_theoretical":false,"updated_at":"2021-11-28T01:37:32.404000Z","spacegroup":62},{"id":"mp-1205571","created_at":"2022-09-04T14:48:30.131333Z","structure_string":"Ba3 Pu1 O6\n1.0\n-4.597848 -4.597848 0.000000\n-4.597848 0.000000 -4.597848\n0.000000 -4.597848 -4.597848\nBa Pu O\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Pu\n0.775149 0.775149 0.224851 O\n0.224851 0.224851 0.775149 O\n0.775149 0.224851 0.775149 O\n0.224851 0.775149 0.224851 O\n0.224851 0.775149 0.775149 O\n0.775149 0.224851 0.224851 O\n","nsites":10,"nelements":3,"elements":["Ba","Pu","O"],"chemical_system":"Ba-O-Pu","density":6.423327428535911,"density_atomic":0.051440617677578925,"volume":194.39890987853812,"volume_molar":11.706975988791111,"formula_full":"Ba3 Pu1 O6","formula_reduced":"Ba3PuO6","formula_anonymous":"AB3C6","energy":-80.14940303,"energy_per_atom":-8.014940303,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.02740303,"band_gap":0.3789000000000007,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.64e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.637000Z","spacegroup":225},{"id":"mp-7143","created_at":"2022-09-04T14:48:07.138611Z","structure_string":"Ba1 Pu1 O3\n1.0\n4.412635 0.000000 0.000000\n0.000000 4.412635 0.000000\n0.000000 0.000000 4.412635\nBa Pu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Pu\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ba","Pu","O"],"chemical_system":"Ba-O-Pu","density":8.297389209171369,"density_atomic":0.05819370232099462,"volume":85.91995010766213,"volume_molar":10.348440672810371,"formula_full":"Ba1 Pu1 O3","formula_reduced":"BaPuO3","formula_anonymous":"ABC3","energy":-48.09921272,"energy_per_atom":-9.619842543999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.03821271999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999175,"is_theoretical":false,"updated_at":"2021-11-28T01:38:27.242000Z","spacegroup":221},{"id":"mp-560146","created_at":"2022-09-04T14:47:39.770315Z","structure_string":"Ba17 Y16 Zn8 Pt4 O57\n1.0\n-11.584392 11.584392 2.889848\n11.584392 -11.584392 2.889848\n11.584392 11.584392 -2.889848\nBa Y Zn Pt O\n17 16 8 4 57\ndirect\n0.932491 0.441502 0.373992 Ba\n0.887845 0.276549 0.164393 Ba\n0.732097 0.189164 0.921261 Ba\n0.276549 0.112155 0.388704 Ba\n0.267903 0.810836 0.078739 Ba\n0.810836 0.732097 0.542933 Ba\n0.067509 0.558498 0.626008 Ba\n0.658234 0.649805 0.308039 Ba\n0.441502 0.067509 0.509011 Ba\n0.189164 0.267903 0.457067 Ba\n0.558498 0.932491 0.490989 Ba\n0.112155 0.723451 0.835607 Ba\n0.341766 0.350195 0.691961 Ba\n0.723451 0.887845 0.611296 Ba\n0.649805 0.341766 0.991571 Ba\n0.350195 0.658234 0.008429 Ba\n0.000000 0.000000 0.000000 Ba\n0.749649 0.506621 0.256270 Y\n0.673692 0.049487 0.723179 Y\n0.493379 0.749649 0.243027 Y\n0.511798 0.400191 0.911989 Y\n0.950513 0.673692 0.624205 Y\n0.250351 0.493379 0.743730 Y\n0.400191 0.488202 0.888393 Y\n0.172046 0.947586 0.119632 Y\n0.488202 0.599809 0.088011 Y\n0.506621 0.250351 0.756973 Y\n0.049487 0.326308 0.375795 Y\n0.052414 0.172046 0.224459 Y\n0.947586 0.827954 0.775541 Y\n0.599809 0.511798 0.111607 Y\n0.326308 0.950513 0.276821 Y\n0.827954 0.052414 0.880368 Y\n0.787777 0.379063 0.166841 Zn\n0.620937 0.787777 0.408714 Zn\n0.076025 0.866231 0.942256 Zn\n0.133769 0.076025 0.209793 Zn\n0.212223 0.620937 0.833159 Zn\n0.923975 0.133769 0.057744 Zn\n0.866231 0.923975 0.790207 Zn\n0.379063 0.212223 0.591286 Zn\n0.583059 0.144221 0.727281 Pt\n0.855779 0.583059 0.438838 Pt\n0.416941 0.855779 0.272719 Pt\n0.144221 0.416941 0.561162 Pt\n0.631761 0.399134 0.520671 O\n0.239618 0.701011 0.940629 O\n0.280600 0.925025 0.689544 O\n0.591056 0.280600 0.355575 O\n0.230886 0.391475 0.622361 O\n0.927554 0.779680 0.204127 O\n0.298989 0.239618 0.538607 O\n0.111091 0.631761 0.232628 O\n0.769114 0.608525 0.377639 O\n0.684302 0.660012 0.844695 O\n0.701011 0.760382 0.461393 O\n0.496864 0.177378 0.175871 O\n0.840199 0.842276 0.682476 O\n0.408944 0.719400 0.644425 O\n0.160393 0.315698 0.975710 O\n0.822622 0.998493 0.319486 O\n0.723426 0.927554 0.147873 O\n0.399134 0.878463 0.767372 O\n0.055081 0.435646 0.490726 O\n0.121537 0.888909 0.520671 O\n0.235481 0.591056 0.310456 O\n0.184683 0.160393 0.844695 O\n0.878463 0.111091 0.479329 O\n0.276574 0.072446 0.852127 O\n0.391475 0.769114 0.160588 O\n0.503136 0.822622 0.824129 O\n0.424447 0.276574 0.204127 O\n0.998493 0.679007 0.175871 O\n0.842276 0.159801 0.002077 O\n0.925025 0.235481 0.644425 O\n0.320993 0.496864 0.319486 O\n0.944919 0.564354 0.509274 O\n0.679007 0.503136 0.680514 O\n0.072446 0.220320 0.795873 O\n0.177378 0.001507 0.680514 O\n0.660012 0.815317 0.975710 O\n0.001507 0.320993 0.824129 O\n0.435646 0.944919 0.380565 O\n0.564354 0.055081 0.619435 O\n0.764519 0.408944 0.689544 O\n0.779680 0.575553 0.852127 O\n0.888909 0.368239 0.767372 O\n0.608525 0.230886 0.839412 O\n0.074975 0.764519 0.355575 O\n0.220320 0.424447 0.147873 O\n0.315698 0.339988 0.155305 O\n0.339988 0.184683 0.024290 O\n0.500000 0.500000 0.000000 O\n0.719400 0.074975 0.310456 O\n0.815317 0.839607 0.155305 O\n0.368239 0.600866 0.479329 O\n0.760382 0.298989 0.059371 O\n0.157724 0.840199 0.997923 O\n0.839607 0.684302 0.024290 O\n0.159801 0.157724 0.317524 O\n0.600866 0.121537 0.232628 O\n0.575553 0.723426 0.795873 O\n","nsites":102,"nelements":5,"elements":["Ba","Y","Zn","Pt","O"],"chemical_system":"Ba-O-Pt-Y-Zn","density":6.3934160253597785,"density_atomic":0.0657534720075025,"volume":1551.248882923806,"volume_molar":9.158665810548943,"formula_full":"Ba17 Y16 Zn8 Pt4 O57","formula_reduced":"Ba17Y16Zn8Pt4O57","formula_anonymous":"A4B8C16D17E57","energy":-755.3483836,"energy_per_atom":-7.405376309803922,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-716.1893836,"band_gap":2.2817,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0109261,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.497000Z","spacegroup":87},{"id":"mp-680165","created_at":"2022-09-04T14:42:53.707428Z","structure_string":"Ba17 Yb16 Zn8 Pt4 O57\n1.0\n-11.496065 11.496065 2.872128\n11.496065 -11.496065 2.872128\n11.496065 11.496065 -2.872128\nBa Yb Zn Pt O\n17 16 8 4 57\ndirect\n0.108859 0.272308 0.381167 Ba\n0.067720 0.440837 0.508557 Ba\n0.272308 0.891141 0.163449 Ba\n0.932280 0.559163 0.491443 Ba\n0.352629 0.347312 0.699940 Ba\n0.266236 0.187458 0.453694 Ba\n0.559163 0.067720 0.626884 Ba\n0.440837 0.932280 0.373116 Ba\n0.891141 0.727692 0.618833 Ba\n0.727692 0.108859 0.836551 Ba\n0.187458 0.733764 0.921223 Ba\n0.347312 0.647371 0.994683 Ba\n0.647371 0.652688 0.300060 Ba\n0.652688 0.352629 0.005317 Ba\n0.812542 0.266236 0.078777 Ba\n0.000000 0.000000 0.000000 Ba\n0.733764 0.812542 0.546306 Ba\n0.494431 0.251878 0.746309 Yb\n0.600152 0.490403 0.090555 Yb\n0.490403 0.399848 0.890250 Yb\n0.051878 0.828235 0.880113 Yb\n0.509597 0.600152 0.109750 Yb\n0.948122 0.171765 0.119887 Yb\n0.251878 0.505569 0.757447 Yb\n0.050134 0.676724 0.726858 Yb\n0.399848 0.509597 0.909445 Yb\n0.171765 0.051878 0.223643 Yb\n0.505569 0.748122 0.253691 Yb\n0.828235 0.948122 0.776357 Yb\n0.323276 0.050134 0.373411 Yb\n0.949866 0.323276 0.273142 Yb\n0.676724 0.949866 0.626589 Yb\n0.748122 0.494431 0.242553 Yb\n0.130339 0.927000 0.057339 Zn\n0.380021 0.786211 0.166232 Zn\n0.786211 0.619979 0.406190 Zn\n0.213789 0.380021 0.593810 Zn\n0.927000 0.869661 0.796662 Zn\n0.619979 0.213789 0.833768 Zn\n0.073000 0.130339 0.203338 Zn\n0.869661 0.073000 0.942661 Zn\n0.144516 0.583161 0.727677 Pt\n0.855484 0.416839 0.272323 Pt\n0.583161 0.855484 0.438645 Pt\n0.416839 0.144516 0.561355 Pt\n0.005802 0.176838 0.677736 O\n0.282629 0.596325 0.361905 O\n0.877732 0.394379 0.767523 O\n0.937470 0.726140 0.145853 O\n0.373143 0.889790 0.767523 O\n0.234421 0.920724 0.638095 O\n0.762951 0.702319 0.465270 O\n0.155754 0.163226 0.318980 O\n0.845990 0.826186 0.158118 O\n0.626857 0.110210 0.232477 O\n0.176838 0.499102 0.171036 O\n0.331931 0.312127 0.158118 O\n0.419712 0.208382 0.145853 O\n0.668069 0.687873 0.841882 O\n0.823162 0.500898 0.828964 O\n0.237049 0.297681 0.534730 O\n0.499102 0.328066 0.322264 O\n0.791618 0.937470 0.211330 O\n0.596325 0.234421 0.313697 O\n0.717371 0.403675 0.638095 O\n0.227661 0.609576 0.837236 O\n0.500000 0.500000 0.000000 O\n0.273860 0.419712 0.211330 O\n0.671934 0.994198 0.171036 O\n0.208382 0.062530 0.788670 O\n0.500898 0.671934 0.677736 O\n0.580288 0.791618 0.854147 O\n0.438100 0.058609 0.496709 O\n0.122268 0.605621 0.232477 O\n0.062530 0.273860 0.854147 O\n0.079276 0.717371 0.313697 O\n0.765579 0.079276 0.361905 O\n0.702319 0.237049 0.939368 O\n0.312127 0.154010 0.980196 O\n0.110210 0.877732 0.483353 O\n0.403675 0.765579 0.686303 O\n0.154010 0.173814 0.841882 O\n0.844246 0.836774 0.681020 O\n0.605621 0.373143 0.483353 O\n0.994198 0.823162 0.322264 O\n0.173814 0.331931 0.019804 O\n0.920724 0.282629 0.686303 O\n0.836774 0.155754 0.992528 O\n0.889790 0.122268 0.516647 O\n0.297681 0.762951 0.060632 O\n0.609576 0.772339 0.381915 O\n0.687873 0.845990 0.019804 O\n0.394379 0.626857 0.516647 O\n0.772339 0.390424 0.162764 O\n0.390424 0.227661 0.618085 O\n0.058609 0.561900 0.620508 O\n0.561900 0.941391 0.503291 O\n0.726140 0.580288 0.788670 O\n0.328066 0.005802 0.828964 O\n0.826186 0.668069 0.980196 O\n0.941391 0.438100 0.379492 O\n0.163226 0.844246 0.007472 O\n","nsites":102,"nelements":5,"elements":["Ba","Yb","Zn","Pt","O"],"chemical_system":"Ba-O-Pt-Yb-Zn","density":8.004333206357026,"density_atomic":0.06717968578118422,"volume":1518.3161221121445,"volume_molar":8.964228828957532,"formula_full":"Ba17 Yb16 Zn8 Pt4 O57","formula_reduced":"Ba17Yb16Zn8Pt4O57","formula_anonymous":"A4B8C16D17E57","energy":-637.99750602,"energy_per_atom":-6.254877509999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-598.83850602,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026339,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.911000Z","spacegroup":87},{"id":"mp-557741","created_at":"2022-09-04T14:40:17.345819Z","structure_string":"Ba17 Tm16 Zn8 Pt4 O57\n1.0\n-11.485093 11.485093 2.861806\n11.485093 -11.485093 2.861806\n11.485093 11.485093 -2.861806\nBa Tm Zn Pt O\n17 16 8 4 57\ndirect\n0.810997 0.732138 0.543135 Ba\n0.649485 0.343149 0.992634 Ba\n0.732138 0.189003 0.921140 Ba\n0.350515 0.656851 0.007366 Ba\n0.442275 0.067882 0.510157 Ba\n0.111675 0.724065 0.835739 Ba\n0.343149 0.350515 0.693663 Ba\n0.932118 0.442275 0.374392 Ba\n0.724065 0.888325 0.612390 Ba\n0.189003 0.267862 0.456865 Ba\n0.656851 0.649485 0.306337 Ba\n0.067882 0.557725 0.625608 Ba\n0.888325 0.275935 0.164261 Ba\n0.557725 0.932118 0.489843 Ba\n0.267862 0.810997 0.078860 Ba\n0.275935 0.111675 0.387610 Ba\n0.000000 0.000000 0.000000 Ba\n0.325150 0.950501 0.275652 Tm\n0.049499 0.325150 0.374649 Tm\n0.674850 0.049499 0.724348 Tm\n0.493706 0.748567 0.242273 Tm\n0.828273 0.051861 0.880134 Tm\n0.748567 0.506294 0.254862 Tm\n0.506294 0.251433 0.757727 Tm\n0.171727 0.948139 0.119866 Tm\n0.051861 0.171727 0.223587 Tm\n0.511372 0.400845 0.912217 Tm\n0.948139 0.828273 0.776413 Tm\n0.950501 0.674850 0.625351 Tm\n0.400845 0.488628 0.889473 Tm\n0.599155 0.511372 0.110527 Tm\n0.251433 0.493706 0.745138 Tm\n0.488628 0.599155 0.087783 Tm\n0.212190 0.619971 0.832161 Zn\n0.075278 0.867386 0.942664 Zn\n0.787810 0.380029 0.167839 Zn\n0.924722 0.132614 0.057336 Zn\n0.867386 0.924722 0.792108 Zn\n0.380029 0.212190 0.592219 Zn\n0.132614 0.075278 0.207892 Zn\n0.619971 0.787810 0.407781 Zn\n0.855670 0.582468 0.438138 Pt\n0.417532 0.855670 0.273202 Pt\n0.582468 0.144330 0.726798 Pt\n0.144330 0.417532 0.561862 Pt\n0.493955 0.176449 0.176334 O\n0.682379 0.506045 0.682495 O\n0.720232 0.072868 0.310147 O\n0.277836 0.075764 0.851969 O\n0.000115 0.317621 0.823666 O\n0.223795 0.425867 0.148031 O\n0.239010 0.700925 0.939936 O\n0.597684 0.119910 0.233066 O\n0.812588 0.837762 0.154234 O\n0.364619 0.597684 0.477775 O\n0.231911 0.393092 0.625003 O\n0.113156 0.635381 0.233066 O\n0.823551 0.999885 0.317505 O\n0.317621 0.493955 0.317505 O\n0.425867 0.277836 0.202072 O\n0.880090 0.113156 0.477775 O\n0.999885 0.682379 0.176334 O\n0.157914 0.157763 0.315678 O\n0.299075 0.239010 0.538085 O\n0.393092 0.768089 0.161182 O\n0.927132 0.237278 0.647364 O\n0.700925 0.760990 0.461915 O\n0.500000 0.500000 0.000000 O\n0.075764 0.223795 0.797928 O\n0.316471 0.341646 0.154234 O\n0.762722 0.410086 0.689853 O\n0.119910 0.886844 0.522225 O\n0.072868 0.762722 0.352636 O\n0.574133 0.722164 0.797928 O\n0.776205 0.574133 0.851969 O\n0.842086 0.842237 0.684322 O\n0.162238 0.316471 0.974826 O\n0.506045 0.823551 0.823666 O\n0.237278 0.589914 0.310147 O\n0.606908 0.231911 0.838818 O\n0.635381 0.402316 0.522225 O\n0.589914 0.279768 0.352636 O\n0.768089 0.606908 0.374997 O\n0.279768 0.927132 0.689853 O\n0.054353 0.434970 0.489323 O\n0.945647 0.565030 0.510677 O\n0.402316 0.880090 0.766934 O\n0.565030 0.054353 0.619382 O\n0.658354 0.812588 0.974826 O\n0.683529 0.658354 0.845766 O\n0.760990 0.299075 0.060064 O\n0.842237 0.157914 0.000151 O\n0.434970 0.945647 0.380618 O\n0.187412 0.162238 0.845766 O\n0.722164 0.924236 0.148031 O\n0.157763 0.842086 0.999849 O\n0.886844 0.364619 0.766934 O\n0.924236 0.776205 0.202072 O\n0.410086 0.720232 0.647364 O\n0.341646 0.187412 0.025174 O\n0.176449 0.000115 0.682495 O\n0.837762 0.683529 0.025174 O\n","nsites":102,"nelements":5,"elements":["Ba","Tm","Zn","Pt","O"],"chemical_system":"Ba-O-Pt-Tm-Zn","density":7.976316180847464,"density_atomic":0.06755087176646798,"volume":1509.9731111187884,"volume_molar":8.914971195071045,"formula_full":"Ba17 Tm16 Zn8 Pt4 O57","formula_reduced":"Ba17Tm16Zn8Pt4O57","formula_anonymous":"A4B8C16D17E57","energy":-728.18854621,"energy_per_atom":-7.139103394215686,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-689.02954621,"band_gap":2.3147,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006444,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.616000Z","spacegroup":87},{"id":"mp-1228478","created_at":"2022-09-04T14:42:57.896696Z","structure_string":"Ba12 Ti9 Pt3 O36\n1.0\n2.893223 -5.011209 0.000000\n2.893223 5.011209 0.000000\n0.000000 0.000000 28.458366\nBa Ti Pt O\n12 9 3 36\ndirect\n0.000000 0.000000 0.206152 Ba\n0.000000 0.000000 0.702583 Ba\n0.666667 0.333333 0.295247 Ba\n0.666667 0.333333 0.795996 Ba\n0.666667 0.333333 0.453281 Ba\n0.666667 0.333333 0.953050 Ba\n0.000000 0.000000 0.047772 Ba\n0.000000 0.000000 0.548362 Ba\n0.333333 0.666667 0.373646 Ba\n0.333333 0.666667 0.873677 Ba\n0.333333 0.666667 0.128394 Ba\n0.333333 0.666667 0.625309 Ba\n0.666667 0.333333 0.673954 Ti\n0.666667 0.333333 0.076960 Ti\n0.666667 0.333333 0.578628 Ti\n0.000000 0.000000 0.425705 Ti\n0.000000 0.000000 0.925497 Ti\n0.333333 0.666667 0.251400 Ti\n0.333333 0.666667 0.750752 Ti\n0.333333 0.666667 0.001533 Ti\n0.333333 0.666667 0.501445 Ti\n0.000000 0.000000 0.329937 Pt\n0.000000 0.000000 0.829206 Pt\n0.666667 0.333333 0.169947 Pt\n0.170952 0.341903 0.289142 O\n0.170553 0.341107 0.788495 O\n0.170952 0.829048 0.289142 O\n0.170553 0.829447 0.788495 O\n0.658097 0.829048 0.289142 O\n0.658893 0.829447 0.788495 O\n0.496898 0.993796 0.209857 O\n0.499619 0.999239 0.708809 O\n0.496898 0.503102 0.209857 O\n0.499619 0.500381 0.708809 O\n0.006204 0.503102 0.209857 O\n0.000761 0.500381 0.708809 O\n0.498714 0.997429 0.039098 O\n0.498152 0.996303 0.539650 O\n0.498714 0.501286 0.039098 O\n0.498152 0.501848 0.539650 O\n0.002571 0.501286 0.039098 O\n0.003697 0.501848 0.539650 O\n0.166911 0.333821 0.459876 O\n0.166773 0.333547 0.959864 O\n0.166911 0.833089 0.459876 O\n0.166773 0.833227 0.959864 O\n0.666179 0.833089 0.459876 O\n0.666453 0.833227 0.959864 O\n0.304010 0.152005 0.376275 O\n0.303507 0.151754 0.876082 O\n0.847995 0.695990 0.376275 O\n0.848246 0.696493 0.876082 O\n0.847995 0.152005 0.376275 O\n0.848246 0.151754 0.876082 O\n0.361026 0.180513 0.122464 O\n0.369679 0.184840 0.624242 O\n0.819487 0.638974 0.122464 O\n0.815160 0.630321 0.624242 O\n0.819487 0.180513 0.122464 O\n0.815160 0.184840 0.624242 O\n","nsites":60,"nelements":4,"elements":["Ba","Ti","Pt","O"],"chemical_system":"Ba-O-Pt-Ti","density":6.519646016222661,"density_atomic":0.07270878196478936,"volume":825.2098079301641,"volume_molar":8.282549366480021,"formula_full":"Ba12 Ti9 Pt3 O36","formula_reduced":"Ba4Ti3PtO12","formula_anonymous":"AB3C4D12","energy":-476.21579173,"energy_per_atom":-7.936929862166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-451.48379173,"band_gap":0.9918000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001375,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.487000Z","spacegroup":156},{"id":"mp-558894","created_at":"2022-09-04T14:43:08.848196Z","structure_string":"Ba8 Ti4 Pt2 O20\n1.0\n2.924735 -6.793410 0.000000\n2.924735 6.793410 0.000000\n0.000000 0.000000 13.318644\nBa Ti Pt O\n8 4 2 20\ndirect\n0.470781 0.529219 0.142092 Ba\n0.234371 0.765629 0.899839 Ba\n0.734371 0.265629 0.600161 Ba\n0.029219 0.970781 0.642092 Ba\n0.970781 0.029219 0.357908 Ba\n0.265629 0.734371 0.399839 Ba\n0.529219 0.470781 0.857908 Ba\n0.765629 0.234371 0.100161 Ba\n0.138777 0.861223 0.155293 Ti\n0.361223 0.638777 0.655293 Ti\n0.861223 0.138777 0.844707 Ti\n0.638777 0.361223 0.344707 Ti\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.536125 0.463875 0.651257 O\n0.729694 0.270306 0.859008 O\n0.382991 0.165862 0.460091 O\n0.882991 0.665862 0.039909 O\n0.622209 0.877791 0.750000 O\n0.122209 0.377791 0.750000 O\n0.270306 0.729694 0.140992 O\n0.036125 0.963875 0.848743 O\n0.377791 0.122209 0.250000 O\n0.834138 0.617009 0.460091 O\n0.770306 0.229694 0.359008 O\n0.463875 0.536125 0.348743 O\n0.877791 0.622209 0.250000 O\n0.117009 0.334138 0.960091 O\n0.617009 0.834138 0.539909 O\n0.229694 0.770306 0.640992 O\n0.665862 0.882991 0.960091 O\n0.165862 0.382991 0.539909 O\n0.963875 0.036125 0.151257 O\n0.334138 0.117009 0.039909 O\n","nsites":34,"nelements":4,"elements":["Ba","Ti","Pt","O"],"chemical_system":"Ba-O-Pt-Ti","density":6.27576756903956,"density_atomic":0.06424133571417612,"volume":529.2542507408859,"volume_molar":9.374245869970439,"formula_full":"Ba8 Ti4 Pt2 O20","formula_reduced":"Ba4Ti2PtO10","formula_anonymous":"AB2C4D10","energy":-260.29800772,"energy_per_atom":-7.655823756470588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-246.55800772,"band_gap":1.9973,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0047439,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.486000Z","spacegroup":64},{"id":"mp-1228124","created_at":"2022-09-04T14:43:51.358177Z","structure_string":"Ba6 Ti5 Pt1 O18\n1.0\n2.895672 -5.015451 0.000000\n2.895672 5.015451 0.000000\n0.000000 0.000000 14.246971\nBa Ti Pt O\n6 5 1 18\ndirect\n0.000000 0.000000 0.593921 Ba\n0.666667 0.333333 0.403079 Ba\n0.666667 0.333333 0.090603 Ba\n0.000000 0.000000 0.901514 Ba\n0.333333 0.666667 0.747551 Ba\n0.333333 0.666667 0.247518 Ba\n0.333333 0.666667 0.494604 Ti\n0.333333 0.666667 0.991687 Ti\n0.666667 0.333333 0.648049 Ti\n0.666667 0.333333 0.838058 Ti\n0.000000 0.000000 0.145384 Ti\n0.000000 0.000000 0.342322 Pt\n0.500528 0.001056 0.584954 O\n0.500528 0.499472 0.584954 O\n0.998944 0.499472 0.584954 O\n0.171118 0.342237 0.425518 O\n0.171118 0.828882 0.425518 O\n0.657763 0.828882 0.425518 O\n0.165940 0.331880 0.081852 O\n0.165940 0.834060 0.081852 O\n0.668120 0.834060 0.081852 O\n0.497111 0.994222 0.922113 O\n0.497111 0.502889 0.922113 O\n0.005778 0.502889 0.922113 O\n0.815895 0.631791 0.753886 O\n0.815895 0.184105 0.753886 O\n0.368209 0.184105 0.753886 O\n0.848765 0.697530 0.250246 O\n0.848765 0.151235 0.250246 O\n0.302470 0.151235 0.250246 O\n","nsites":30,"nelements":4,"elements":["Ba","Ti","Pt","O"],"chemical_system":"Ba-O-Pt-Ti","density":6.205127003742556,"density_atomic":0.07249521802048763,"volume":413.8203983540239,"volume_molar":8.306948960824016,"formula_full":"Ba6 Ti5 Pt1 O18","formula_reduced":"Ba6Ti5PtO18","formula_anonymous":"AB5C6D18","energy":-243.16956556,"energy_per_atom":-8.105652185333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-230.80356556,"band_gap":2.0101,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.07e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.311000Z","spacegroup":156},{"id":"mp-9737","created_at":"2022-09-04T14:39:38.492370Z","structure_string":"Ba8 Sm8 Zn6 Pt2 O30\n1.0\n5.910352 -10.237030 0.000000\n5.910352 10.237030 0.000000\n0.000000 0.000000 6.799502\nBa Sm Zn Pt O\n8 8 6 2 30\ndirect\n0.345377 0.172689 0.157187 Ba\n0.172689 0.345377 0.657187 Ba\n0.172689 0.827311 0.657187 Ba\n0.827311 0.172689 0.157187 Ba\n0.654623 0.827311 0.657187 Ba\n0.827311 0.654623 0.157187 Ba\n0.333333 0.666667 0.336494 Ba\n0.666667 0.333333 0.836494 Ba\n0.000000 0.000000 0.341583 Sm\n0.522603 0.477397 0.497770 Sm\n0.477397 0.954794 0.997770 Sm\n0.522603 0.045206 0.497770 Sm\n0.954794 0.477397 0.497770 Sm\n0.000000 0.000000 0.841583 Sm\n0.045206 0.522603 0.997770 Sm\n0.477397 0.522603 0.997770 Sm\n0.657442 0.828721 0.174398 Zn\n0.828721 0.657442 0.674398 Zn\n0.828721 0.171279 0.674398 Zn\n0.171279 0.828721 0.174398 Zn\n0.171279 0.342558 0.174398 Zn\n0.342558 0.171279 0.674398 Zn\n0.333333 0.666667 0.814473 Pt\n0.666667 0.333333 0.314473 Pt\n0.834617 0.917309 0.070543 O\n0.917309 0.834617 0.570543 O\n0.917309 0.082691 0.570543 O\n0.082691 0.917309 0.070543 O\n0.082691 0.165383 0.070543 O\n0.165383 0.082691 0.570543 O\n0.604183 0.660509 0.299181 O\n0.339491 0.943674 0.299181 O\n0.056326 0.395817 0.299181 O\n0.943674 0.604183 0.799181 O\n0.395817 0.339491 0.799181 O\n0.660509 0.056326 0.799181 O\n0.604183 0.943674 0.299181 O\n0.660509 0.604183 0.799181 O\n0.943674 0.339491 0.799181 O\n0.056326 0.660509 0.299181 O\n0.339491 0.395817 0.299181 O\n0.395817 0.056326 0.799181 O\n0.497971 0.748985 0.988030 O\n0.748985 0.497971 0.488030 O\n0.748985 0.251015 0.488030 O\n0.251015 0.748985 0.988030 O\n0.251015 0.502029 0.988030 O\n0.502029 0.251015 0.488030 O\n0.835305 0.417653 0.155405 O\n0.417653 0.835305 0.655405 O\n0.417653 0.582347 0.655405 O\n0.582347 0.417653 0.155405 O\n0.582347 0.164695 0.155405 O\n0.164695 0.582347 0.655405 O\n","nsites":54,"nelements":5,"elements":["Ba","Sm","Zn","Pt","O"],"chemical_system":"Ba-O-Pt-Sm-Zn","density":7.192908802570919,"density_atomic":0.06562953626683596,"volume":822.8002675570845,"volume_molar":9.175961164063747,"formula_full":"Ba8 Sm8 Zn6 Pt2 O30","formula_reduced":"Ba4Sm4Zn3PtO15","formula_anonymous":"AB3C4D4E15","energy":-374.12397209,"energy_per_atom":-6.92822170537037,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-353.51397209,"band_gap":2.4891000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0062218,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.434000Z","spacegroup":186},{"id":"mp-9757","created_at":"2022-09-04T14:40:07.988982Z","structure_string":"Ba2 Sm4 Pt2 O10\n1.0\n6.744264 0.000000 0.000000\n0.000000 6.744264 0.000000\n0.000000 0.000000 5.978551\nBa Sm Pt O\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.825528 0.674472 0.500000 Sm\n0.674472 0.174472 0.500000 Sm\n0.325528 0.825528 0.500000 Sm\n0.174472 0.325528 0.500000 Sm\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.139193 0.639193 0.257244 O\n0.860807 0.360807 0.257244 O\n0.360807 0.139193 0.257244 O\n0.639193 0.860807 0.257244 O\n0.139193 0.639193 0.742756 O\n0.639193 0.860807 0.742756 O\n0.860807 0.360807 0.742756 O\n0.360807 0.139193 0.742756 O\n","nsites":18,"nelements":4,"elements":["Ba","Sm","Pt","O"],"chemical_system":"Ba-O-Pt-Sm","density":8.709265282532689,"density_atomic":0.06619229551938259,"volume":271.9349715667316,"volume_molar":9.097948201896974,"formula_full":"Ba2 Sm4 Pt2 O10","formula_reduced":"BaSm2PtO5","formula_anonymous":"ABC2D5","energy":-138.49340055000002,"energy_per_atom":-7.6940778083333345,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.62340055,"band_gap":2.6307,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.38e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.422000Z","spacegroup":127}]}