{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10239","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10237","results":[{"id":"mp-1198417","created_at":"2022-09-04T14:48:20.279844Z","structure_string":"Cr8 O30\n1.0\n0.000000 -7.941671 0.000000\n-9.019276 0.000000 -0.102969\n-0.416764 0.000000 -9.308276\nCr O\n8 30\ndirect\n0.112261 0.564136 0.441124 Cr\n0.887739 0.564136 0.941124 Cr\n0.919758 0.880309 0.306754 Cr\n0.080242 0.880309 0.806754 Cr\n0.440560 0.557139 0.670241 Cr\n0.559440 0.557139 0.170241 Cr\n0.419054 0.212578 0.721293 Cr\n0.580946 0.212578 0.221293 Cr\n0.981442 0.540879 0.569314 O\n0.018558 0.540879 0.069314 O\n0.316792 0.569869 0.804259 O\n0.683208 0.569869 0.304259 O\n0.061313 0.728695 0.338037 O\n0.938687 0.728695 0.838037 O\n0.537985 0.379521 0.684844 O\n0.462015 0.379521 0.184844 O\n0.796617 0.904361 0.439133 O\n0.203383 0.904361 0.939133 O\n0.101894 0.423387 0.345124 O\n0.898106 0.423387 0.845124 O\n0.322372 0.575863 0.509443 O\n0.677628 0.575863 0.009442 O\n0.559069 0.040089 0.731051 O\n0.440931 0.040089 0.231051 O\n0.049725 0.060279 0.285712 O\n0.950275 0.060279 0.785712 O\n0.818397 0.869785 0.158925 O\n0.181603 0.869785 0.658925 O\n0.329869 0.218099 0.874291 O\n0.670131 0.218099 0.374291 O\n0.582803 0.681492 0.673710 O\n0.417197 0.681492 0.173710 O\n0.284730 0.194556 0.595203 O\n0.715271 0.194556 0.095203 O\n0.420087 0.956294 0.344259 O\n0.579913 0.956294 0.844259 O\n0.924587 0.130680 0.665675 O\n0.075413 0.130680 0.165675 O\n","nsites":38,"nelements":2,"elements":["Cr","O"],"chemical_system":"Cr-O","density":2.232556654287526,"density_atomic":0.05702336293407338,"volume":666.3935279287732,"volume_molar":10.56083059668438,"formula_full":"Cr8 O30","formula_reduced":"Cr4O15","formula_anonymous":"A4B15","energy":-257.47018935,"energy_per_atom":-6.775531298684211,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.64818935,"band_gap":0.7085999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0018269,"is_theoretical":true,"updated_at":"2021-11-28T01:38:55.966000Z","spacegroup":7},{"id":"mp-28180","created_at":"2022-09-04T14:43:46.761134Z","structure_string":"Sb32 F120\n1.0\n11.182028 0.000000 0.000000\n0.000000 11.412401 0.000000\n0.000000 0.000000 19.657543\nSb F\n32 120\ndirect\n0.640329 0.083684 0.946083 Sb\n0.359671 0.916316 0.446083 Sb\n0.359671 0.583684 0.946083 Sb\n0.640329 0.416316 0.446083 Sb\n0.914971 0.070919 0.114431 Sb\n0.085029 0.929081 0.614431 Sb\n0.085029 0.570919 0.114431 Sb\n0.914971 0.429081 0.614431 Sb\n0.884228 0.071907 0.779369 Sb\n0.115772 0.928093 0.279369 Sb\n0.115772 0.571907 0.779369 Sb\n0.884228 0.428093 0.279369 Sb\n0.895851 0.342364 0.944024 Sb\n0.104149 0.657636 0.444024 Sb\n0.104149 0.842364 0.944024 Sb\n0.895851 0.157636 0.444024 Sb\n0.215080 0.254777 0.190425 Sb\n0.784920 0.745223 0.690425 Sb\n0.784920 0.754777 0.190425 Sb\n0.215080 0.245223 0.690425 Sb\n0.257819 0.241824 0.943325 Sb\n0.742181 0.758176 0.443325 Sb\n0.742181 0.741824 0.943325 Sb\n0.257819 0.258176 0.443325 Sb\n0.617982 0.099925 0.594658 Sb\n0.382018 0.900075 0.094658 Sb\n0.382018 0.599925 0.594658 Sb\n0.617982 0.400075 0.094658 Sb\n0.648571 0.085194 0.278995 Sb\n0.351429 0.914806 0.778995 Sb\n0.351429 0.585194 0.278995 Sb\n0.648571 0.414806 0.778995 Sb\n0.733401 0.244668 0.939856 F\n0.266599 0.755332 0.439856 F\n0.266599 0.744668 0.939856 F\n0.733401 0.255332 0.439856 F\n0.758780 0.046161 0.869476 F\n0.241220 0.953839 0.369476 F\n0.241220 0.546161 0.869476 F\n0.758780 0.453839 0.369476 F\n0.756002 0.048097 0.017923 F\n0.243998 0.951903 0.517923 F\n0.243998 0.548097 0.017923 F\n0.756002 0.451903 0.517923 F\n0.818562 0.910943 0.133686 F\n0.181438 0.089057 0.633686 F\n0.181438 0.410943 0.133686 F\n0.818562 0.589057 0.633686 F\n0.009266 0.981052 0.051142 F\n0.990734 0.018948 0.551142 F\n0.990734 0.481052 0.051142 F\n0.009266 0.518948 0.551142 F\n0.013940 0.991039 0.190350 F\n0.986060 0.008961 0.690350 F\n0.986060 0.491039 0.190350 F\n0.013940 0.508961 0.690350 F\n0.800541 0.921365 0.752722 F\n0.199459 0.078635 0.252722 F\n0.199459 0.421365 0.752722 F\n0.800541 0.578635 0.252722 F\n0.995656 0.983205 0.832951 F\n0.004344 0.016795 0.332951 F\n0.004344 0.483205 0.832951 F\n0.995656 0.516795 0.332951 F\n0.931320 0.228567 0.017135 F\n0.068680 0.771433 0.517135 F\n0.068680 0.728567 0.017135 F\n0.931320 0.271433 0.517135 F\n0.936937 0.227896 0.871605 F\n0.063063 0.772104 0.371605 F\n0.063063 0.727896 0.871605 F\n0.936937 0.272104 0.371605 F\n0.086083 0.185280 0.130277 F\n0.913917 0.814720 0.630277 F\n0.913917 0.685280 0.130277 F\n0.086083 0.314720 0.630277 F\n0.080695 0.299551 0.247993 F\n0.919305 0.700449 0.747993 F\n0.919305 0.799551 0.247993 F\n0.080695 0.200449 0.747993 F\n0.275418 0.248280 0.039621 F\n0.724582 0.751720 0.539621 F\n0.724582 0.748280 0.039621 F\n0.275418 0.251720 0.539621 F\n0.252983 0.251697 0.847092 F\n0.747017 0.748303 0.347092 F\n0.747017 0.751697 0.847092 F\n0.252983 0.248303 0.347092 F\n0.120814 0.347196 0.948390 F\n0.879186 0.652804 0.448390 F\n0.879186 0.847196 0.948390 F\n0.120814 0.152804 0.448390 F\n0.360834 0.383573 0.940151 F\n0.639166 0.616427 0.440151 F\n0.639166 0.883573 0.940151 F\n0.360834 0.116427 0.440151 F\n0.152428 0.112074 0.947145 F\n0.847572 0.887926 0.447145 F\n0.847572 0.612074 0.947145 F\n0.152428 0.387926 0.447145 F\n0.400083 0.149562 0.936840 F\n0.599917 0.850438 0.436840 F\n0.599917 0.649562 0.936840 F\n0.400083 0.350438 0.436840 F\n0.499113 0.133557 0.660706 F\n0.500887 0.866443 0.160706 F\n0.500887 0.633557 0.660706 F\n0.499113 0.366443 0.160706 F\n0.660341 0.952584 0.634764 F\n0.339659 0.047416 0.134764 F\n0.339659 0.452584 0.634764 F\n0.660341 0.547416 0.134764 F\n0.501950 0.019751 0.538547 F\n0.498050 0.980249 0.038547 F\n0.498050 0.519751 0.538547 F\n0.501950 0.480249 0.038547 F\n0.583040 0.246346 0.549554 F\n0.416960 0.753654 0.049554 F\n0.416960 0.746346 0.549554 F\n0.583040 0.253654 0.049554 F\n0.741194 0.172665 0.648498 F\n0.258806 0.827335 0.148498 F\n0.258806 0.672665 0.648498 F\n0.741194 0.327335 0.148498 F\n0.737559 0.070709 0.525048 F\n0.262441 0.929291 0.025048 F\n0.262441 0.570709 0.525048 F\n0.737559 0.429291 0.025048 F\n0.685289 0.924253 0.253863 F\n0.314711 0.075747 0.753863 F\n0.314711 0.424253 0.253863 F\n0.685289 0.575747 0.753863 F\n0.565097 0.110100 0.196539 F\n0.434903 0.889900 0.696539 F\n0.434903 0.610100 0.196539 F\n0.565097 0.389900 0.696539 F\n0.741721 0.060032 0.360690 F\n0.258279 0.939968 0.860690 F\n0.258279 0.560032 0.360690 F\n0.741721 0.439968 0.860690 F\n0.508398 0.032401 0.325534 F\n0.491602 0.967599 0.825534 F\n0.491602 0.532401 0.325534 F\n0.508398 0.467599 0.825534 F\n0.623862 0.244373 0.306950 F\n0.376138 0.755627 0.806950 F\n0.376138 0.744373 0.306950 F\n0.623862 0.255627 0.806950 F\n0.797208 0.129734 0.234743 F\n0.202792 0.870266 0.734743 F\n0.202792 0.629734 0.234743 F\n0.797208 0.370266 0.734743 F\n","nsites":152,"nelements":2,"elements":["Sb","F"],"chemical_system":"F-Sb","density":4.088260677865123,"density_atomic":0.06059220471146401,"volume":2508.5735157486633,"volume_molar":9.938804485951664,"formula_full":"Sb32 F120","formula_reduced":"Sb4F15","formula_anonymous":"A4B15","energy":-767.19884319,"energy_per_atom":-5.0473608104605265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-711.75884319,"band_gap":3.5793,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002639,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.785000Z","spacegroup":29},{"id":"mp-1228713","created_at":"2022-09-04T14:42:52.320164Z","structure_string":"Al4 Ni15\n1.0\n3.575200 0.000000 0.000000\n0.000000 3.575200 0.000000\n0.000000 0.000000 17.292462\nAl Ni\n4 15\ndirect\n0.000000 0.000000 0.193582 Al\n0.000000 0.000000 0.400074 Al\n0.000000 0.000000 0.599926 Al\n0.000000 0.000000 0.806418 Al\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.193864 Ni\n0.500000 0.500000 0.399016 Ni\n0.500000 0.500000 0.600984 Ni\n0.500000 0.500000 0.806136 Ni\n0.500000 0.000000 0.090279 Ni\n0.500000 0.000000 0.297468 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.702532 Ni\n0.500000 0.000000 0.909721 Ni\n0.000000 0.500000 0.090279 Ni\n0.000000 0.500000 0.297468 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.702532 Ni\n0.000000 0.500000 0.909721 Ni\n","nsites":19,"nelements":2,"elements":["Al","Ni"],"chemical_system":"Al-Ni","density":7.424929117364063,"density_atomic":0.0859599368275317,"volume":221.0332010611085,"volume_molar":7.005752891701984,"formula_full":"Al4 Ni15","formula_reduced":"Al4Ni15","formula_anonymous":"A4B15","energy":-106.92737884000002,"energy_per_atom":-5.627756781052632,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.92737884000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9906182,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.766000Z","spacegroup":123},{"id":"mp-567395","created_at":"2022-09-04T14:40:00.974222Z","structure_string":"Li30 Au8\n1.0\n-5.412847 5.412847 5.412847\n5.412847 -5.412847 5.412847\n5.412847 5.412847 -5.412847\nLi Au\n30 8\ndirect\n0.379974 0.656442 0.960245 Li\n0.039755 0.919729 0.696197 Li\n0.696197 0.039755 0.919729 Li\n0.750000 0.875000 0.125000 Li\n0.460245 0.156442 0.879974 Li\n0.120026 0.080271 0.276468 Li\n0.419729 0.539755 0.196197 Li\n0.580271 0.620026 0.776468 Li\n0.776468 0.580271 0.620026 Li\n0.539755 0.196197 0.419729 Li\n0.723532 0.343558 0.803803 Li\n0.156442 0.879974 0.460245 Li\n0.843558 0.223532 0.303803 Li\n0.080271 0.276468 0.120026 Li\n0.196197 0.419729 0.539755 Li\n0.375000 0.250000 0.625000 Li\n0.960245 0.379974 0.656442 Li\n0.125000 0.750000 0.875000 Li\n0.620026 0.776468 0.580271 Li\n0.656442 0.960245 0.379974 Li\n0.343558 0.803803 0.723532 Li\n0.276468 0.120026 0.080271 Li\n0.803803 0.723532 0.343558 Li\n0.223532 0.303803 0.843558 Li\n0.919729 0.696197 0.039755 Li\n0.879974 0.460245 0.156442 Li\n0.875000 0.125000 0.750000 Li\n0.303803 0.843558 0.223532 Li\n0.250000 0.625000 0.375000 Li\n0.625000 0.375000 0.250000 Li\n0.000000 0.086774 0.500000 Au\n0.913226 0.913226 0.913226 Au\n0.413226 0.413226 0.413226 Au\n0.086774 0.500000 0.000000 Au\n0.500000 0.000000 0.086774 Au\n0.500000 0.000000 0.586774 Au\n0.000000 0.586774 0.500000 Au\n0.586774 0.500000 0.000000 Au\n","nsites":38,"nelements":2,"elements":["Li","Au"],"chemical_system":"Au-Li","density":4.669792522445063,"density_atomic":0.059902693528925924,"volume":634.3621256638567,"volume_molar":10.053205298843562,"formula_full":"Li30 Au8","formula_reduced":"Li15Au4","formula_anonymous":"A4B15","energy":-96.85644933,"energy_per_atom":-2.548853929736842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.85644933,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012062,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.740000Z","spacegroup":220},{"id":"mp-1777","created_at":"2022-09-04T14:42:01.684114Z","structure_string":"Li30 Ge8\n1.0\n-5.350502 5.350502 5.350502\n5.350502 -5.350502 5.350502\n5.350502 5.350502 -5.350502\nLi Ge\n30 8\ndirect\n0.468507 0.159284 0.882947 Li\n0.914441 0.690777 0.031493 Li\n0.809223 0.723663 0.340716 Li\n0.776337 0.585559 0.617053 Li\n0.585559 0.617053 0.776337 Li\n0.617053 0.776337 0.585559 Li\n0.659284 0.968507 0.382947 Li\n0.414441 0.531493 0.190777 Li\n0.625000 0.375000 0.250000 Li\n0.250000 0.625000 0.375000 Li\n0.750000 0.875000 0.125000 Li\n0.125000 0.750000 0.875000 Li\n0.375000 0.250000 0.625000 Li\n0.875000 0.125000 0.750000 Li\n0.085559 0.276337 0.117053 Li\n0.690777 0.031493 0.914441 Li\n0.882947 0.468507 0.159284 Li\n0.159284 0.882947 0.468507 Li\n0.340716 0.809223 0.723663 Li\n0.723663 0.340716 0.809223 Li\n0.031493 0.914441 0.690777 Li\n0.223663 0.309223 0.840716 Li\n0.190777 0.414441 0.531493 Li\n0.968507 0.382947 0.659284 Li\n0.309223 0.840716 0.223663 Li\n0.531493 0.190777 0.414441 Li\n0.382947 0.659284 0.968507 Li\n0.117053 0.085559 0.276337 Li\n0.276337 0.117053 0.085559 Li\n0.840716 0.223663 0.309223 Li\n0.915317 0.915317 0.915317 Ge\n0.500000 0.000000 0.084683 Ge\n0.000000 0.084683 0.500000 Ge\n0.084683 0.500000 0.000000 Ge\n0.000000 0.584683 0.500000 Ge\n0.584683 0.500000 0.000000 Ge\n0.500000 0.000000 0.584683 Ge\n0.415317 0.415317 0.415317 Ge\n","nsites":38,"nelements":2,"elements":["Li","Ge"],"chemical_system":"Ge-Li","density":2.1393169259098874,"density_atomic":0.06202117833359303,"volume":612.6939381191627,"volume_molar":9.709813521453492,"formula_full":"Li30 Ge8","formula_reduced":"Li15Ge4","formula_anonymous":"A4B15","energy":-106.70347882,"energy_per_atom":-2.807986284736842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.70347882,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009025,"is_theoretical":false,"updated_at":"2021-11-28T01:35:38.142000Z","spacegroup":220},{"id":"mp-24202","created_at":"2022-09-04T14:44:56.531070Z","structure_string":"Th8 H30\n1.0\n-4.562704 4.562704 4.562704\n4.562704 -4.562704 4.562704\n4.562704 4.562704 -4.562704\nTh H\n8 30\ndirect\n0.915836 0.915836 0.915836 Th\n0.500000 0.000000 0.084164 Th\n0.000000 0.084164 0.500000 Th\n0.084164 0.500000 0.000000 Th\n0.000000 0.584164 0.500000 Th\n0.584164 0.500000 0.000000 Th\n0.500000 0.000000 0.584164 Th\n0.415836 0.415836 0.415836 Th\n0.653037 0.969677 0.373641 H\n0.220604 0.316640 0.846963 H\n0.183360 0.403964 0.530323 H\n0.096036 0.279396 0.126359 H\n0.279396 0.126359 0.096036 H\n0.126359 0.096036 0.279396 H\n0.469677 0.153037 0.873641 H\n0.720604 0.346963 0.816640 H\n0.625000 0.375000 0.250000 H\n0.250000 0.625000 0.375000 H\n0.750000 0.875000 0.125000 H\n0.125000 0.750000 0.875000 H\n0.375000 0.250000 0.625000 H\n0.875000 0.125000 0.750000 H\n0.779396 0.596036 0.626359 H\n0.316640 0.846963 0.220604 H\n0.373641 0.653037 0.969677 H\n0.969677 0.373641 0.653037 H\n0.530323 0.183360 0.403964 H\n0.403964 0.530323 0.183360 H\n0.846963 0.220604 0.316640 H\n0.903964 0.683360 0.030323 H\n0.816640 0.720604 0.346963 H\n0.153037 0.873641 0.469677 H\n0.683360 0.030323 0.903964 H\n0.346963 0.816640 0.720604 H\n0.873641 0.469677 0.153037 H\n0.626359 0.779396 0.596036 H\n0.596036 0.626359 0.779396 H\n0.030323 0.903964 0.683360 H\n","nsites":38,"nelements":2,"elements":["Th","H"],"chemical_system":"H-Th","density":8.244965732021765,"density_atomic":0.1000130609415776,"volume":379.95037490351,"volume_molar":6.021354314430813,"formula_full":"Th8 H30","formula_reduced":"Th4H15","formula_anonymous":"A4B15","energy":-184.00001013,"energy_per_atom":-4.842105529736842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.63001013,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0775896,"is_theoretical":false,"updated_at":"2021-11-28T01:36:49.098000Z","spacegroup":220},{"id":"mp-1228752","created_at":"2022-09-04T14:44:57.560841Z","structure_string":"Al4 Cu15\n1.0\n3.608770 0.000000 0.000000\n0.000000 3.608770 0.000000\n0.000000 0.000000 18.456224\nAl Cu\n4 15\ndirect\n0.000000 0.000000 0.191048 Al\n0.000000 0.000000 0.396653 Al\n0.000000 0.000000 0.603347 Al\n0.000000 0.000000 0.808952 Al\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.189616 Cu\n0.500000 0.500000 0.396599 Cu\n0.500000 0.500000 0.603401 Cu\n0.500000 0.500000 0.810384 Cu\n0.500000 0.000000 0.090001 Cu\n0.500000 0.000000 0.292700 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.707300 Cu\n0.500000 0.000000 0.909999 Cu\n0.000000 0.500000 0.090001 Cu\n0.000000 0.500000 0.292700 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.500000 0.707300 Cu\n0.000000 0.500000 0.909999 Cu\n","nsites":19,"nelements":2,"elements":["Al","Cu"],"chemical_system":"Al-Cu","density":7.33078974545888,"density_atomic":0.07904826476017601,"volume":240.35948236996686,"volume_molar":7.61830860964568,"formula_full":"Al4 Cu15","formula_reduced":"Al4Cu15","formula_anonymous":"A4B15","energy":-78.32826927,"energy_per_atom":-4.122540487894737,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.32826927,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0101005,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.058000Z","spacegroup":123},{"id":"mp-1019597","created_at":"2022-09-04T14:44:31.655128Z","structure_string":"Ce8 B28 O54\n1.0\n-0.000000 -6.479715 0.000000\n-5.536653 -3.239857 1.004333\n-5.498806 -3.239857 -24.524151\nCe B O\n8 28 54\ndirect\n0.262138 0.346559 0.315562 Ce\n0.924259 0.153441 0.184438 Ce\n0.737862 0.653441 0.684438 Ce\n0.075741 0.846559 0.815562 Ce\n0.349923 0.743106 0.056258 Ce\n0.149287 0.756894 0.443742 Ce\n0.650077 0.256894 0.943742 Ce\n0.850713 0.243106 0.556258 Ce\n0.359977 0.611453 0.205309 B\n0.176739 0.888547 0.294691 B\n0.640023 0.388547 0.794691 B\n0.823261 0.111453 0.705309 B\n0.359841 0.260864 0.174881 B\n0.795586 0.239136 0.325119 B\n0.640159 0.739136 0.825119 B\n0.204414 0.760864 0.674881 B\n0.834987 0.847431 0.350980 B\n0.033398 0.652569 0.149020 B\n0.165013 0.152569 0.649020 B\n0.966602 0.347431 0.850980 B\n0.632949 0.766444 0.445460 B\n0.844853 0.733556 0.054540 B\n0.367051 0.233556 0.554540 B\n0.155147 0.266444 0.945460 B\n0.548485 0.164092 0.077436 B\n0.790013 0.335908 0.422564 B\n0.451514 0.835908 0.922564 B\n0.209987 0.664092 0.577436 B\n0.310642 0.211768 0.453103 B\n0.975513 0.288232 0.046897 B\n0.689358 0.788232 0.546897 B\n0.024487 0.711768 0.953103 B\n0.603976 0.679771 0.313524 B\n0.597271 0.820229 0.186476 B\n0.396024 0.320229 0.686476 B\n0.402729 0.179771 0.813524 B\n0.203876 0.750000 0.250000 O\n0.796124 0.250000 0.750000 O\n0.218708 0.716819 0.157866 O\n0.093393 0.783181 0.342134 O\n0.781292 0.283181 0.842134 O\n0.906607 0.216819 0.657866 O\n0.593916 0.608465 0.192796 O\n0.395177 0.891535 0.307204 O\n0.406084 0.391535 0.807204 O\n0.604823 0.108465 0.692796 O\n0.430468 0.354023 0.216667 O\n0.001157 0.145977 0.283333 O\n0.569532 0.645977 0.783333 O\n0.998843 0.854023 0.716667 O\n0.683550 0.088363 0.330948 O\n0.102861 0.411637 0.169052 O\n0.316450 0.911637 0.669052 O\n0.897139 0.588363 0.830948 O\n0.600814 0.472190 0.309377 O\n0.382380 0.027810 0.190623 O\n0.399186 0.527810 0.690623 O\n0.617620 0.972190 0.809377 O\n0.511844 0.259698 0.126415 O\n0.897957 0.240302 0.373585 O\n0.488156 0.740302 0.873585 O\n0.102043 0.759698 0.626415 O\n0.813013 0.671966 0.322058 O\n0.807038 0.828034 0.177942 O\n0.186987 0.328034 0.677942 O\n0.192962 0.171966 0.822058 O\n0.796767 0.816497 0.409257 O\n0.022522 0.683503 0.090743 O\n0.203233 0.183503 0.590743 O\n0.977478 0.316497 0.909257 O\n0.600934 0.572684 0.426441 O\n0.600058 0.927316 0.073559 O\n0.399066 0.427316 0.573559 O\n0.399942 0.072684 0.926441 O\n0.388883 0.969519 0.449697 O\n0.808099 0.530481 0.050303 O\n0.611117 0.030481 0.550303 O\n0.191901 0.469519 0.949697 O\n0.737502 0.684748 0.497866 O\n0.920116 0.815252 0.002134 O\n0.262498 0.315252 0.502134 O\n0.079884 0.184748 0.997866 O\n0.265467 0.361879 0.409424 O\n0.036770 0.138121 0.090576 O\n0.734533 0.638121 0.590576 O\n0.963230 0.861879 0.909424 O\n0.536272 0.307296 0.034037 O\n0.877605 0.192704 0.465963 O\n0.463728 0.692704 0.965963 O\n0.122395 0.807296 0.534037 O\n","nsites":90,"nelements":3,"elements":["Ce","B","O"],"chemical_system":"B-Ce-O","density":4.14876125183335,"density_atomic":0.09829492234636934,"volume":915.6118937950845,"volume_molar":6.126604117737966,"formula_full":"Ce8 B28 O54","formula_reduced":"Ce4B14O27","formula_anonymous":"A4B14C27","energy":-780.5189476600001,"energy_per_atom":-8.672432751777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-743.42094766,"band_gap":0.1673999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.6860148,"is_theoretical":false,"updated_at":"2021-11-28T01:36:39.029000Z","spacegroup":15},{"id":"mp-645962","created_at":"2022-09-04T14:45:21.889609Z","structure_string":"La8 B28 O54\n1.0\n3.241053 5.651299 0.000000\n-3.241053 5.651299 0.000000\n0.000000 4.563694 25.206964\nLa B O\n8 28 54\ndirect\n0.850153 0.347253 0.055607 La\n0.085856 0.255603 0.315447 La\n0.347253 0.850153 0.555607 La\n0.914144 0.744397 0.684553 La\n0.255603 0.085856 0.815447 La\n0.149847 0.652747 0.944393 La\n0.744397 0.914144 0.184553 La\n0.652747 0.149847 0.444393 La\n0.175585 0.643294 0.794523 B\n0.366050 0.844961 0.054769 B\n0.973574 0.689590 0.546335 B\n0.833461 0.968193 0.850424 B\n0.633950 0.155039 0.945231 B\n0.451699 0.791298 0.421542 B\n0.643294 0.175585 0.294523 B\n0.205393 0.357618 0.175509 B\n0.310410 0.026426 0.953665 B\n0.405647 0.603645 0.312932 B\n0.824415 0.356706 0.205477 B\n0.594353 0.396355 0.687068 B\n0.031807 0.166539 0.649576 B\n0.026426 0.310410 0.453665 B\n0.603645 0.405647 0.812932 B\n0.166539 0.031807 0.149576 B\n0.357618 0.205393 0.675509 B\n0.356706 0.824415 0.705477 B\n0.844961 0.366050 0.554769 B\n0.548301 0.208702 0.578458 B\n0.208702 0.548301 0.078458 B\n0.396355 0.594353 0.187068 B\n0.689590 0.973574 0.046335 B\n0.155039 0.633950 0.445231 B\n0.794607 0.642382 0.824491 B\n0.791298 0.451699 0.921542 B\n0.968193 0.833461 0.350424 B\n0.642382 0.794607 0.324491 B\n0.603021 0.399202 0.926168 O\n0.380050 0.399772 0.691230 O\n0.513804 0.101349 0.627559 O\n0.798415 0.201585 0.250000 O\n0.020115 0.206273 0.591621 O\n0.191499 0.390223 0.451106 O\n0.811343 0.194514 0.821357 O\n0.428636 0.999103 0.716984 O\n0.605456 0.590330 0.193197 O\n0.793727 0.979885 0.908379 O\n0.898651 0.486196 0.872441 O\n0.394544 0.409670 0.806803 O\n0.032650 0.733185 0.590296 O\n0.399202 0.603021 0.426168 O\n0.206273 0.020115 0.091621 O\n0.201585 0.798415 0.750000 O\n0.808501 0.609777 0.548894 O\n0.399772 0.380050 0.191230 O\n0.923894 0.257948 0.502560 O\n0.101132 0.317016 0.669724 O\n0.216755 0.908667 0.658202 O\n0.571364 0.000897 0.283016 O\n0.967350 0.266815 0.409704 O\n0.194514 0.811343 0.321357 O\n0.682984 0.898868 0.830276 O\n0.101349 0.513804 0.127559 O\n0.619950 0.600228 0.308770 O\n0.600798 0.396979 0.573832 O\n0.979885 0.793727 0.408379 O\n0.396979 0.600798 0.073832 O\n0.742052 0.076106 0.997440 O\n0.076106 0.742052 0.497440 O\n0.257948 0.923894 0.002560 O\n0.317016 0.101132 0.169724 O\n0.999103 0.428636 0.216984 O\n0.188657 0.805486 0.178643 O\n0.390223 0.191499 0.951106 O\n0.409670 0.394544 0.306803 O\n0.805486 0.188657 0.678643 O\n0.733185 0.032650 0.090296 O\n0.609777 0.808501 0.048894 O\n0.783245 0.091333 0.341798 O\n0.486196 0.898651 0.372441 O\n0.000897 0.571364 0.783016 O\n0.122427 0.533280 0.035380 O\n0.533280 0.122427 0.535380 O\n0.266815 0.967350 0.909704 O\n0.590330 0.605456 0.693197 O\n0.466720 0.877573 0.464620 O\n0.898868 0.682984 0.330276 O\n0.908667 0.216755 0.158202 O\n0.091333 0.783245 0.841798 O\n0.600228 0.619950 0.808770 O\n0.877573 0.466720 0.964620 O\n","nsites":90,"nelements":3,"elements":["La","B","O"],"chemical_system":"B-La-O","density":4.096401228549102,"density_atomic":0.0974669899405757,"volume":923.389550194089,"volume_molar":6.17864649731321,"formula_full":"La8 B28 O54","formula_reduced":"La4B14O27","formula_anonymous":"A4B14C27","energy":-778.04845098,"energy_per_atom":-8.644982788666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-740.95045098,"band_gap":3.924500000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.79e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:07.900000Z","spacegroup":15},{"id":"mp-559330","created_at":"2022-09-04T14:44:09.318055Z","structure_string":"Sr8 B28 O50\n1.0\n3.926273 -8.241150 0.000000\n3.926273 8.241150 0.000000\n0.000000 0.000000 14.791886\nSr B O\n8 28 50\ndirect\n0.569924 0.430076 0.242299 Sr\n0.195242 0.804758 0.921482 Sr\n0.176245 0.823755 0.334074 Sr\n0.055749 0.944251 0.655529 Sr\n0.430076 0.569924 0.742299 Sr\n0.804758 0.195242 0.421482 Sr\n0.823755 0.176245 0.834074 Sr\n0.944251 0.055749 0.155529 Sr\n0.550479 0.985748 0.054278 B\n0.328135 0.021829 0.132162 B\n0.176471 0.165798 0.867157 B\n0.449521 0.014252 0.554278 B\n0.563500 0.771931 0.956185 B\n0.777600 0.718412 0.026754 B\n0.823529 0.834202 0.367157 B\n0.933665 0.403310 0.219449 B\n0.281588 0.222400 0.026754 B\n0.771931 0.563500 0.456185 B\n0.978171 0.671865 0.132162 B\n0.596690 0.066335 0.219449 B\n0.228069 0.436500 0.956185 B\n0.718412 0.777600 0.526754 B\n0.546840 0.782866 0.290452 B\n0.217134 0.453160 0.290452 B\n0.671865 0.978171 0.632162 B\n0.014252 0.449521 0.054278 B\n0.403310 0.933665 0.719449 B\n0.066335 0.596690 0.719449 B\n0.165798 0.176471 0.367157 B\n0.222400 0.281588 0.526754 B\n0.834202 0.823529 0.867157 B\n0.985748 0.550479 0.554278 B\n0.782866 0.546840 0.790452 B\n0.453160 0.217134 0.790452 B\n0.436500 0.228069 0.456185 B\n0.021829 0.328135 0.632162 B\n0.849469 0.731244 0.784742 O\n0.853642 0.146358 0.664889 O\n0.775099 0.224901 0.260364 O\n0.350621 0.223243 0.370656 O\n0.500363 0.898561 0.286270 O\n0.363709 0.992687 0.635212 O\n0.101439 0.499637 0.286270 O\n0.260882 0.357599 0.033661 O\n0.007313 0.636291 0.635212 O\n0.974527 0.025473 0.856441 O\n0.599264 0.012821 0.552231 O\n0.689429 0.829160 0.608773 O\n0.532601 0.894703 0.706172 O\n0.035208 0.387934 0.972995 O\n0.642401 0.739118 0.033661 O\n0.739118 0.642401 0.533661 O\n0.150531 0.268756 0.284742 O\n0.987179 0.400736 0.552231 O\n0.400736 0.987179 0.052231 O\n0.587807 0.412193 0.799490 O\n0.105297 0.467399 0.706172 O\n0.829160 0.689429 0.108773 O\n0.129626 0.252311 0.446554 O\n0.358821 0.641179 0.951028 O\n0.898561 0.500363 0.786270 O\n0.025473 0.974527 0.356441 O\n0.223243 0.350621 0.870656 O\n0.412193 0.587807 0.299490 O\n0.894703 0.532601 0.206172 O\n0.731244 0.849469 0.284742 O\n0.467399 0.105297 0.206172 O\n0.268756 0.150531 0.784742 O\n0.649379 0.776757 0.870656 O\n0.146358 0.853642 0.164889 O\n0.636291 0.007313 0.135212 O\n0.012821 0.599264 0.052231 O\n0.612066 0.964792 0.972995 O\n0.357599 0.260882 0.533661 O\n0.992687 0.363709 0.135212 O\n0.310571 0.170840 0.108773 O\n0.252311 0.129626 0.946554 O\n0.387934 0.035208 0.472995 O\n0.964792 0.612066 0.472995 O\n0.870374 0.747689 0.946554 O\n0.170840 0.310571 0.608773 O\n0.641179 0.358821 0.451028 O\n0.747689 0.870374 0.446554 O\n0.224901 0.775099 0.760364 O\n0.776757 0.649379 0.370656 O\n0.499637 0.101439 0.786270 O\n","nsites":86,"nelements":3,"elements":["Sr","B","O"],"chemical_system":"B-O-Sr","density":3.128791441209384,"density_atomic":0.08984141677972805,"volume":957.2422506520975,"volume_molar":6.703078575402479,"formula_full":"Sr8 B28 O50","formula_reduced":"Sr4B14O25","formula_anonymous":"A4B14C25","energy":-709.8868498,"energy_per_atom":-8.254498253488373,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-675.5368498,"band_gap":5.206200000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001891,"is_theoretical":false,"updated_at":"2021-11-28T01:36:33.057000Z","spacegroup":36},{"id":"mp-675248","created_at":"2022-09-04T14:42:54.408361Z","structure_string":"Sr4 Bi14 O25\n1.0\n3.700335 0.000000 0.000000\n-0.940052 10.641946 0.000000\n-0.545740 -5.122695 21.700223\nSr Bi O\n4 14 25\ndirect\n0.460407 0.002907 0.836110 Sr\n0.931893 0.965227 0.678560 Sr\n0.347525 0.012340 0.444498 Sr\n0.321665 0.976131 0.294853 Sr\n0.040736 0.034812 0.989486 Bi\n0.635224 0.352383 0.957278 Bi\n0.052988 0.300370 0.788848 Bi\n0.868144 0.697950 0.877133 Bi\n0.490039 0.228023 0.616854 Bi\n0.355107 0.663851 0.712191 Bi\n0.951557 0.302362 0.404763 Bi\n0.968702 0.497989 0.569233 Bi\n0.628140 0.746789 0.529591 Bi\n0.802278 0.046947 0.158812 Bi\n0.288404 0.505710 0.241586 Bi\n0.153373 0.388550 0.093356 Bi\n0.752753 0.682214 0.166125 Bi\n0.225561 0.688470 0.011075 Bi\n0.583827 0.123339 0.952803 O\n0.026738 0.556555 0.345749 O\n0.976526 0.102955 0.786447 O\n0.939205 0.898398 0.881817 O\n0.986510 0.269969 0.544780 O\n0.122616 0.329452 0.895014 O\n0.401505 0.937831 0.586881 O\n0.411956 0.867553 0.725932 O\n0.301466 0.104524 0.211885 O\n0.003505 0.217907 0.678509 O\n0.901484 0.184731 0.483079 O\n0.040835 0.951587 0.564444 O\n0.680806 0.569027 0.966814 O\n0.559630 0.362992 0.301989 O\n0.839406 0.969364 0.372295 O\n0.674977 0.554298 0.343983 O\n0.413924 0.192381 0.380238 O\n0.894923 0.328855 0.299773 O\n0.067075 0.180992 0.079237 O\n0.774193 0.885181 0.212297 O\n0.893026 0.861680 0.073083 O\n0.510252 0.508889 0.505873 O\n0.310571 0.655593 0.808992 O\n0.634093 0.876362 0.022848 O\n0.536505 0.432559 0.634237 O\n","nsites":43,"nelements":3,"elements":["Sr","Bi","O"],"chemical_system":"Bi-O-Sr","density":7.14366082487135,"density_atomic":0.05032017749268528,"volume":854.5279874310983,"volume_molar":11.967646101557172,"formula_full":"Sr4 Bi14 O25","formula_reduced":"Sr4Bi14O25","formula_anonymous":"A4B14C25","energy":-232.94961652,"energy_per_atom":-5.417432942325582,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-228.92461652,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003067,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.403000Z","spacegroup":1},{"id":"mp-5512","created_at":"2022-09-04T14:41:24.219269Z","structure_string":"Sr8 Al28 O50\n1.0\n4.935987 0.000000 0.000000\n0.000000 8.574992 0.000000\n0.000000 0.000000 25.022193\nSr Al O\n8 28 50\ndirect\n0.112991 0.000000 0.620413 Sr\n0.112991 0.000000 0.879587 Sr\n0.887009 0.000000 0.379587 Sr\n0.887009 0.000000 0.120413 Sr\n0.040273 0.500000 0.638394 Sr\n0.040273 0.500000 0.861606 Sr\n0.959727 0.500000 0.361606 Sr\n0.959727 0.500000 0.138394 Sr\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.832380 0.500000 Al\n0.000000 0.167620 0.000000 Al\n0.000000 0.167620 0.500000 Al\n0.000000 0.832380 0.000000 Al\n0.128591 0.296733 0.750000 Al\n0.128591 0.703267 0.750000 Al\n0.871409 0.296733 0.250000 Al\n0.871409 0.703267 0.250000 Al\n0.492979 0.678078 0.433865 Al\n0.492979 0.321922 0.066135 Al\n0.507021 0.678078 0.566135 Al\n0.507021 0.321922 0.933865 Al\n0.507021 0.321922 0.566135 Al\n0.507021 0.678078 0.933865 Al\n0.492979 0.321922 0.433865 Al\n0.492979 0.678078 0.066135 Al\n0.374412 0.805303 0.314403 Al\n0.374412 0.194697 0.185597 Al\n0.625588 0.805303 0.685597 Al\n0.625588 0.194697 0.814403 Al\n0.625588 0.194697 0.685597 Al\n0.625588 0.805303 0.814403 Al\n0.374412 0.194697 0.314403 Al\n0.374412 0.805303 0.185597 Al\n0.110641 0.500000 0.750000 O\n0.889359 0.500000 0.250000 O\n0.152764 0.662721 0.457354 O\n0.152764 0.337279 0.042646 O\n0.847236 0.662721 0.542646 O\n0.847236 0.337279 0.957354 O\n0.847236 0.337279 0.542646 O\n0.847236 0.662721 0.957354 O\n0.152764 0.337279 0.457354 O\n0.152764 0.662721 0.042646 O\n0.576921 0.000000 0.666282 O\n0.576921 0.000000 0.833718 O\n0.423079 0.000000 0.333718 O\n0.423079 0.000000 0.166282 O\n0.324813 0.500000 0.550366 O\n0.324813 0.500000 0.949634 O\n0.675187 0.500000 0.449634 O\n0.675187 0.500000 0.050366 O\n0.828760 0.000000 0.538826 O\n0.828760 0.000000 0.961174 O\n0.171240 0.000000 0.461174 O\n0.171240 0.000000 0.038826 O\n0.474786 0.232413 0.750000 O\n0.474786 0.767587 0.750000 O\n0.525214 0.232413 0.250000 O\n0.525214 0.767587 0.250000 O\n0.021764 0.771365 0.309589 O\n0.021764 0.228635 0.190411 O\n0.978236 0.771365 0.690411 O\n0.978236 0.228635 0.809589 O\n0.978236 0.228635 0.690411 O\n0.978236 0.771365 0.809589 O\n0.021764 0.228635 0.309589 O\n0.021764 0.771365 0.190411 O\n0.499480 0.678009 0.363209 O\n0.499480 0.321991 0.136791 O\n0.677072 0.840776 0.043032 O\n0.677072 0.159224 0.456968 O\n0.322928 0.840776 0.956968 O\n0.322928 0.159224 0.543032 O\n0.322928 0.159224 0.956968 O\n0.322928 0.840776 0.543032 O\n0.677072 0.159224 0.043032 O\n0.677072 0.840776 0.456968 O\n0.499480 0.678009 0.136791 O\n0.499480 0.321991 0.363209 O\n0.500520 0.678009 0.863209 O\n0.500520 0.321991 0.636791 O\n0.500520 0.321991 0.863209 O\n0.500520 0.678009 0.636791 O\n","nsites":86,"nelements":3,"elements":["Sr","Al","O"],"chemical_system":"Al-O-Sr","density":3.5378108204336116,"density_atomic":0.08120174289510718,"volume":1059.0905679338805,"volume_molar":7.416270322890895,"formula_full":"Sr8 Al28 O50","formula_reduced":"Sr4Al14O25","formula_anonymous":"A4B14C25","energy":-663.47221317,"energy_per_atom":-7.714793176395349,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-629.12221317,"band_gap":3.9459,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1041913,"is_theoretical":false,"updated_at":"2021-11-28T01:35:13.052000Z","spacegroup":51}]}