{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=10158","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=10156","results":[{"id":"mp-758792","created_at":"2022-09-04T14:44:21.457136Z","structure_string":"Li18 Cr6 Si12 O42\n1.0\n4.291541 -7.433167 0.000000\n4.291541 7.433167 0.000000\n0.000000 0.000000 12.982298\nLi Cr Si O\n18 6 12 42\ndirect\n0.024686 0.691056 0.897159 Li\n0.023435 0.690490 0.566007 Li\n0.333333 0.666667 0.216497 Li\n0.333333 0.666667 0.733525 Li\n0.000000 0.000000 0.467076 Li\n0.000000 0.000000 0.967076 Li\n0.309510 0.332944 0.566007 Li\n0.308944 0.333631 0.897159 Li\n0.666369 0.975314 0.897159 Li\n0.667056 0.976565 0.566007 Li\n0.332944 0.023435 0.066007 Li\n0.333631 0.024686 0.397159 Li\n0.691056 0.666369 0.397159 Li\n0.690490 0.667056 0.066007 Li\n0.666667 0.333333 0.233525 Li\n0.666667 0.333333 0.716497 Li\n0.976565 0.309510 0.066007 Li\n0.975314 0.308944 0.397159 Li\n0.000000 0.000000 0.231358 Cr\n0.000000 0.000000 0.731358 Cr\n0.333333 0.666667 0.509825 Cr\n0.333333 0.666667 0.955470 Cr\n0.666667 0.333333 0.455470 Cr\n0.666667 0.333333 0.009825 Cr\n0.026873 0.674380 0.345835 Si\n0.023380 0.673590 0.119749 Si\n0.326410 0.349790 0.119749 Si\n0.325620 0.352493 0.345835 Si\n0.650210 0.976620 0.119749 Si\n0.647507 0.973127 0.345835 Si\n0.352493 0.026873 0.845835 Si\n0.349790 0.023380 0.619749 Si\n0.674380 0.647507 0.845835 Si\n0.673590 0.650210 0.619749 Si\n0.976620 0.326410 0.619749 Si\n0.973127 0.325620 0.845835 Si\n0.133269 0.931916 0.842703 O\n0.130958 0.926483 0.625321 O\n0.127337 0.691993 0.232393 O\n0.187833 0.756569 0.035336 O\n0.189436 0.758271 0.430891 O\n0.120666 0.539600 0.605023 O\n0.120394 0.538500 0.860414 O\n0.068084 0.201353 0.842703 O\n0.418106 0.879606 0.860414 O\n0.073517 0.204475 0.625321 O\n0.418933 0.879334 0.605023 O\n0.243431 0.431265 0.035336 O\n0.241729 0.431164 0.430891 O\n0.308007 0.435343 0.232393 O\n0.201353 0.133269 0.342703 O\n0.564657 0.872663 0.232393 O\n0.204475 0.130958 0.125321 O\n0.568836 0.810564 0.430891 O\n0.568735 0.812167 0.035336 O\n0.460400 0.581067 0.605023 O\n0.461500 0.581894 0.860414 O\n0.538500 0.418106 0.360414 O\n0.539600 0.418933 0.105023 O\n0.431265 0.187833 0.535336 O\n0.431164 0.189436 0.930891 O\n0.795525 0.869042 0.625321 O\n0.435343 0.127337 0.732393 O\n0.798647 0.866731 0.842703 O\n0.691993 0.564657 0.732393 O\n0.758271 0.568836 0.930891 O\n0.756569 0.568735 0.535336 O\n0.581067 0.120666 0.105023 O\n0.926483 0.795525 0.125321 O\n0.581894 0.120394 0.360414 O\n0.931916 0.798647 0.342703 O\n0.879606 0.461500 0.360414 O\n0.879334 0.460400 0.105023 O\n0.810564 0.241729 0.930891 O\n0.812167 0.243431 0.535336 O\n0.872663 0.308007 0.732393 O\n0.869042 0.073517 0.125321 O\n0.866731 0.068084 0.342703 O\n","nsites":78,"nelements":4,"elements":["Li","Cr","Si","O"],"chemical_system":"Cr-Li-O-Si","density":2.8988333902057355,"density_atomic":0.09417288537682789,"volume":828.2638860207699,"volume_molar":6.394771420566247,"formula_full":"Li18 Cr6 Si12 O42","formula_reduced":"Li3CrSi2O7","formula_anonymous":"AB2C3D7","energy":-583.2364630999999,"energy_per_atom":-7.477390552564102,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-542.3884631,"band_gap":2.715,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9666792,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.620000Z","spacegroup":173},{"id":"mp-1205922","created_at":"2022-09-04T14:44:21.458854Z","structure_string":"Cu1 I2 N6\n1.0\n0.000000 3.756662 3.756662\n3.756662 0.000000 3.756662\n3.756662 3.756662 0.000000\nCu I N\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 I\n0.750000 0.750000 0.750000 I\n0.751828 0.248172 0.248172 N\n0.248172 0.751828 0.751828 N\n0.248172 0.751828 0.248172 N\n0.751828 0.248172 0.751828 N\n0.248172 0.248172 0.751828 N\n0.751828 0.751828 0.248172 N\n","nsites":9,"nelements":3,"elements":["Cu","I","N"],"chemical_system":"Cu-I-N","density":6.286151537534726,"density_atomic":0.084880151936384,"volume":106.03185544183901,"volume_molar":7.0948750946080725,"formula_full":"Cu1 I2 N6","formula_reduced":"Cu(IN3)2","formula_anonymous":"AB2C6","energy":-35.23532709,"energy_per_atom":-3.915036343333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.31132709,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0313933,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.884000Z","spacegroup":225},{"id":"mp-1233550","created_at":"2022-09-04T14:44:21.464975Z","structure_string":"Sr2 Mg1 V2 Si4 O14\n1.0\n5.269777 0.000000 -1.914334\n0.000000 7.289765 0.000000\n0.274316 0.000000 8.965622\nSr Mg V Si O\n2 1 2 4 14\ndirect\n0.121252 0.750000 0.242504 Sr\n0.860458 0.250000 0.720916 Sr\n0.320721 0.750000 0.641441 Mg\n0.891810 0.750000 0.783620 V\n0.101034 0.250000 0.202069 V\n0.413773 0.468690 0.827546 Si\n0.602270 0.522761 0.204541 Si\n0.602270 0.977239 0.204541 Si\n0.413773 0.031310 0.827546 Si\n0.621318 0.750000 0.242635 O\n0.389540 0.250000 0.779080 O\n0.505188 0.506425 0.010375 O\n0.505188 0.993575 0.010375 O\n0.591940 0.559032 0.728508 O\n0.888157 0.449865 0.272452 O\n0.384295 0.050135 0.272452 O\n0.136568 0.940968 0.728508 O\n0.993776 0.250000 0.987554 O\n0.993208 0.750000 0.986416 O\n0.888157 0.050135 0.272452 O\n0.591940 0.940968 0.728508 O\n0.136568 0.559032 0.728508 O\n0.384295 0.449865 0.272452 O\n","nsites":23,"nelements":5,"elements":["Sr","Mg","V","Si","O"],"chemical_system":"Mg-O-Si-Sr-V","density":3.0410311327013644,"density_atomic":0.0660451967457696,"volume":348.2463696570519,"volume_molar":9.118211553190259,"formula_full":"Sr2 Mg1 V2 Si4 O14","formula_reduced":"Sr2MgV2(Si2O7)2","formula_anonymous":"AB2C2D4E14","energy":-180.43808451,"energy_per_atom":-7.845134109130435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.42008451,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0073322,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.780000Z","spacegroup":38},{"id":"mp-26983","created_at":"2022-09-04T14:44:21.526659Z","structure_string":"Li4 Mn4 P16 O48\n1.0\n8.409227 0.000000 0.000000\n0.000000 9.391969 0.000000\n0.000000 0.000000 12.818226\nLi Mn P O\n4 4 16 48\ndirect\n0.002207 0.750000 0.000000 Li\n0.502207 0.750000 0.500000 Li\n0.497793 0.250000 0.500000 Li\n0.997793 0.250000 0.000000 Li\n0.373795 0.750000 0.000000 Mn\n0.126205 0.250000 0.500000 Mn\n0.873795 0.750000 0.500000 Mn\n0.626205 0.250000 0.000000 Mn\n0.464405 0.006639 0.148415 P\n0.320138 0.497910 0.638234 P\n0.964405 0.493361 0.648415 P\n0.179862 0.502090 0.138234 P\n0.535595 0.993361 0.851585 P\n0.679862 0.997910 0.638234 P\n0.035595 0.993361 0.648415 P\n0.820138 0.002090 0.138234 P\n0.535595 0.506639 0.148415 P\n0.820138 0.497910 0.861766 P\n0.179862 0.997910 0.861766 P\n0.679862 0.502090 0.361766 P\n0.035595 0.506639 0.351585 P\n0.964405 0.006639 0.351585 P\n0.464405 0.493361 0.851585 P\n0.320138 0.002090 0.361766 P\n0.370804 0.872999 0.121253 O\n0.960568 0.374643 0.570383 O\n0.596739 0.371284 0.394651 O\n0.903261 0.628716 0.894651 O\n0.812447 0.369783 0.933634 O\n0.629196 0.127001 0.878747 O\n0.870804 0.872999 0.378747 O\n0.357956 0.463079 0.178116 O\n0.403261 0.628716 0.605349 O\n0.857956 0.036921 0.678116 O\n0.857956 0.463079 0.321884 O\n0.357956 0.036921 0.821884 O\n0.539432 0.874643 0.929617 O\n0.460568 0.374643 0.929617 O\n0.394088 0.066589 0.254574 O\n0.370804 0.627001 0.878747 O\n0.596739 0.128716 0.605349 O\n0.105912 0.933411 0.754574 O\n0.394088 0.433411 0.745426 O\n0.539432 0.625357 0.070383 O\n0.605912 0.566589 0.254574 O\n0.870804 0.627001 0.621253 O\n0.687553 0.630217 0.433634 O\n0.129196 0.127001 0.621253 O\n0.142044 0.963079 0.321884 O\n0.105912 0.566589 0.245426 O\n0.129196 0.372999 0.378747 O\n0.142044 0.536921 0.678116 O\n0.642044 0.963079 0.178116 O\n0.687553 0.869783 0.566366 O\n0.960568 0.125357 0.429617 O\n0.403261 0.871284 0.394651 O\n0.039432 0.874643 0.570383 O\n0.096739 0.371284 0.105349 O\n0.187553 0.869783 0.933634 O\n0.039432 0.625357 0.429617 O\n0.312447 0.130217 0.433634 O\n0.903261 0.871284 0.105349 O\n0.605912 0.933411 0.745426 O\n0.460568 0.125357 0.070383 O\n0.642044 0.536921 0.821884 O\n0.894088 0.066589 0.245426 O\n0.894088 0.433411 0.754574 O\n0.312447 0.369783 0.566366 O\n0.812447 0.130217 0.066366 O\n0.096739 0.128716 0.894651 O\n0.629196 0.372999 0.121253 O\n0.187553 0.630217 0.066366 O\n","nsites":72,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.4785194544698865,"density_atomic":0.07112001597629022,"volume":1012.3732259003309,"volume_molar":8.467575094482042,"formula_full":"Li4 Mn4 P16 O48","formula_reduced":"LiMn(PO3)4","formula_anonymous":"ABC4D12","energy":-553.83249347,"energy_per_atom":-7.6921179648611115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-514.18449347,"band_gap":1.3434,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9995314,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.668000Z","spacegroup":60},{"id":"mp-1186776","created_at":"2022-09-04T14:44:21.535643Z","structure_string":"Sr2 Tl6\n1.0\n3.643605 -6.310910 0.000000\n3.643605 6.310910 0.000000\n0.000000 0.000000 5.586294\nSr Tl\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160842 0.321684 0.250000 Tl\n0.678316 0.839158 0.250000 Tl\n0.160842 0.839158 0.250000 Tl\n0.839158 0.678316 0.750000 Tl\n0.321684 0.160842 0.750000 Tl\n0.839158 0.160842 0.750000 Tl\n","nsites":8,"nelements":2,"elements":["Sr","Tl"],"chemical_system":"Sr-Tl","density":9.058941860498882,"density_atomic":0.031139592633435496,"volume":256.90766395608415,"volume_molar":19.339176433328966,"formula_full":"Sr2 Tl6","formula_reduced":"SrTl3","formula_anonymous":"AB3","energy":-19.64099477,"energy_per_atom":-2.45512434625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.64099477,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0058891,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.462000Z","spacegroup":194},{"id":"mp-1036878","created_at":"2022-09-04T14:44:21.549773Z","structure_string":"Mg30 V1 C1 O32\n1.0\n8.512029 0.000000 0.000000\n0.000000 8.512029 0.000000\n0.000000 0.000000 8.509401\nMg V C O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248871 0.000000 0.252538 Mg\n0.248871 0.000000 0.747462 Mg\n0.751129 0.000000 0.252538 Mg\n0.751129 0.000000 0.747462 Mg\n0.249730 0.500000 0.250417 Mg\n0.249730 0.500000 0.749583 Mg\n0.750270 0.500000 0.250417 Mg\n0.750270 0.500000 0.749583 Mg\n0.000000 0.248871 0.252538 Mg\n0.000000 0.248871 0.747462 Mg\n0.500000 0.249730 0.250417 Mg\n0.500000 0.249730 0.749583 Mg\n0.000000 0.751129 0.252538 Mg\n0.000000 0.751129 0.747462 Mg\n0.500000 0.750270 0.250417 Mg\n0.500000 0.750270 0.749583 Mg\n0.250450 0.250450 0.000000 Mg\n0.248232 0.248232 0.500000 Mg\n0.749550 0.250450 0.000000 Mg\n0.751768 0.248232 0.500000 Mg\n0.250450 0.749550 0.000000 Mg\n0.248232 0.751768 0.500000 Mg\n0.749550 0.749550 0.000000 Mg\n0.751768 0.751768 0.500000 Mg\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 C\n0.000000 0.254456 0.000000 O\n0.000000 0.251957 0.500000 O\n0.500000 0.250444 0.000000 O\n0.500000 0.249528 0.500000 O\n0.000000 0.745544 0.000000 O\n0.000000 0.748043 0.500000 O\n0.500000 0.749556 0.000000 O\n0.500000 0.750472 0.500000 O\n0.249435 0.249435 0.250199 O\n0.249435 0.249435 0.749801 O\n0.750565 0.249435 0.250199 O\n0.750565 0.249435 0.749801 O\n0.249435 0.750565 0.250199 O\n0.249435 0.750565 0.749801 O\n0.750565 0.750565 0.250199 O\n0.750565 0.750565 0.749801 O\n0.000000 0.000000 0.254521 O\n0.000000 0.000000 0.745479 O\n0.500000 0.000000 0.251300 O\n0.500000 0.000000 0.748700 O\n0.000000 0.500000 0.251300 O\n0.000000 0.500000 0.748700 O\n0.500000 0.500000 0.250345 O\n0.500000 0.500000 0.749655 O\n0.254456 0.000000 0.000000 O\n0.251957 0.000000 0.500000 O\n0.745544 0.000000 0.000000 O\n0.748043 0.000000 0.500000 O\n0.250444 0.500000 0.000000 O\n0.249528 0.500000 0.500000 O\n0.749556 0.500000 0.000000 O\n0.750472 0.500000 0.500000 O\n","nsites":64,"nelements":4,"elements":["Mg","V","C","O"],"chemical_system":"C-Mg-O-V","density":3.512280170920331,"density_atomic":0.1038041687108496,"volume":616.5455664721366,"volume_molar":5.801444041014286,"formula_full":"Mg30 V1 C1 O32","formula_reduced":"Mg30VCO32","formula_anonymous":"ABC30D32","energy":-407.54431643,"energy_per_atom":-6.36787994421875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-383.86031643,"band_gap":1.4024,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9991242,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.983000Z","spacegroup":123},{"id":"mp-1111014","created_at":"2022-09-04T14:44:21.581036Z","structure_string":"K1 Na2 Fe1 F6\n1.0\n6.099116 0.000000 0.000000\n3.049558 5.281989 0.000000\n3.049558 1.760663 4.979907\nK Na Fe F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Fe\n0.217084 0.782916 0.217084 F\n0.782916 0.782916 0.217084 F\n0.782916 0.217084 0.782916 F\n0.782916 0.217084 0.217084 F\n0.217084 0.782916 0.782916 F\n0.217084 0.217084 0.782916 F\n","nsites":10,"nelements":4,"elements":["K","Na","Fe","F"],"chemical_system":"F-Fe-K-Na","density":2.6384927341341657,"density_atomic":0.06233247648360457,"volume":160.43001279806873,"volume_molar":9.661321191985712,"formula_full":"K1 Na2 Fe1 F6","formula_reduced":"KNa2FeF6","formula_anonymous":"ABC2D6","energy":-50.73178268,"energy_per_atom":-5.073178268,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.70378268,"band_gap":4.1152,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9998484,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.021000Z","spacegroup":225},{"id":"mp-1206471","created_at":"2022-09-04T14:44:21.582196Z","structure_string":"Lu7 Te2 Rh2\n1.0\n-1.926418 4.694132 7.712352\n1.926418 -4.694132 7.712352\n1.926418 4.694132 -7.712352\nLu Te Rh\n7 2 2\ndirect\n0.546748 0.132409 0.414339 Lu\n0.281930 0.867591 0.414339 Lu\n0.940058 0.315659 0.624399 Lu\n0.308740 0.684341 0.624399 Lu\n0.620655 0.353586 0.267069 Lu\n0.913483 0.646414 0.267069 Lu\n0.998451 0.000000 0.998451 Lu\n0.264747 0.500000 0.764747 Te\n0.660355 0.000000 0.660355 Te\n0.164816 0.236969 0.927846 Rh\n0.690877 0.763031 0.927846 Rh\n","nsites":11,"nelements":3,"elements":["Lu","Te","Rh"],"chemical_system":"Lu-Rh-Te","density":10.03453691036214,"density_atomic":0.03943120284506244,"volume":278.9668893242351,"volume_molar":15.272526135362593,"formula_full":"Lu7 Te2 Rh2","formula_reduced":"Lu7(TeRh)2","formula_anonymous":"A2B2C7","energy":-62.38333430000001,"energy_per_atom":-5.67121220909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.38333430000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0076491,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.415000Z","spacegroup":44},{"id":"mp-1223072","created_at":"2022-09-04T14:44:22.174293Z","structure_string":"La4 Br1 Cl3 O4\n1.0\n4.133103 0.000000 0.000000\n0.000000 4.133103 0.000000\n0.000000 0.000000 14.336165\nLa Br Cl O\n4 1 3 4\ndirect\n0.000000 0.000000 0.082874 La\n0.000000 0.000000 0.587238 La\n0.500000 0.500000 0.418580 La\n0.500000 0.500000 0.914246 La\n0.000000 0.000000 0.314174 Br\n0.000000 0.000000 0.816566 Cl\n0.500000 0.500000 0.180537 Cl\n0.500000 0.500000 0.683687 Cl\n0.500000 0.000000 0.998528 O\n0.500000 0.000000 0.502521 O\n0.000000 0.500000 0.998528 O\n0.000000 0.500000 0.502521 O\n","nsites":12,"nelements":4,"elements":["La","Br","Cl","O"],"chemical_system":"Br-Cl-La-O","density":5.464310434521621,"density_atomic":0.04899996824013029,"volume":244.89811791698608,"volume_molar":12.2900911496264,"formula_full":"La4 Br1 Cl3 O4","formula_reduced":"La4BrCl3O4","formula_anonymous":"AB3C4D4","energy":-89.34312681,"energy_per_atom":-7.4452605675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.21912681,"band_gap":3.9305,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0009679,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.696000Z","spacegroup":99},{"id":"mp-686330","created_at":"2022-09-04T14:44:21.479327Z","structure_string":"Ba20 Mg6 Zr2 Ta12 O60\n1.0\n5.096773 -0.000000 2.942624\n1.698924 4.805284 2.942624\n-0.174048 -0.123071 59.153935\nBa Mg Zr Ta O\n20 6 2 12 60\ndirect\n0.254356 0.254356 0.023693 Ba\n0.250820 0.250820 0.124754 Ba\n0.246407 0.246407 0.226078 Ba\n0.753593 0.753593 0.073922 Ba\n0.236020 0.236020 0.329194 Ba\n0.749180 0.749180 0.175246 Ba\n0.231433 0.231433 0.430570 Ba\n0.745644 0.745644 0.276307 Ba\n0.724067 0.724067 0.382780 Ba\n0.244879 0.244879 0.526536 Ba\n0.249789 0.249789 0.625063 Ba\n0.740775 0.740775 0.477768 Ba\n0.748782 0.748782 0.575365 Ba\n0.251218 0.251218 0.724635 Ba\n0.259225 0.259225 0.822232 Ba\n0.750211 0.750211 0.674937 Ba\n0.275933 0.275933 0.917220 Ba\n0.755121 0.755121 0.773464 Ba\n0.768567 0.768567 0.869430 Ba\n0.763980 0.763980 0.970806 Ba\n0.980262 0.980262 0.405921 Mg\n0.994810 0.994810 0.501557 Mg\n0.999519 0.999519 0.600144 Mg\n0.000481 0.000481 0.699856 Mg\n0.005190 0.005190 0.798443 Mg\n0.019738 0.019738 0.894079 Mg\n0.001400 0.001400 0.099580 Zr\n0.998600 0.998600 0.200420 Zr\n0.004355 0.004355 0.998694 Ta\n0.503143 0.503143 0.049057 Ta\n0.995645 0.995645 0.301306 Ta\n0.500000 0.500000 0.150000 Ta\n0.496857 0.496857 0.250943 Ta\n0.491091 0.491091 0.352673 Ta\n0.493327 0.493327 0.452002 Ta\n0.498304 0.498304 0.550509 Ta\n0.500000 0.500000 0.650000 Ta\n0.501696 0.501696 0.749491 Ta\n0.506673 0.506673 0.847998 Ta\n0.508909 0.508909 0.947327 Ta\n0.259542 0.259542 0.073750 O\n0.245591 0.748381 0.025765 O\n0.259542 0.743418 0.073750 O\n0.748381 0.245591 0.025765 O\n0.743418 0.259542 0.073750 O\n0.748381 0.748381 0.025765 O\n0.255613 0.255613 0.174525 O\n0.256475 0.744387 0.125475 O\n0.255613 0.743525 0.174525 O\n0.744387 0.256475 0.125475 O\n0.743525 0.255613 0.174525 O\n0.744387 0.744387 0.125475 O\n0.251619 0.251619 0.274235 O\n0.256582 0.740458 0.226250 O\n0.740458 0.256582 0.226250 O\n0.251619 0.754409 0.274235 O\n0.754409 0.251619 0.274235 O\n0.740458 0.740458 0.226250 O\n0.269033 0.269033 0.370580 O\n0.259109 0.763093 0.321470 O\n0.763093 0.259109 0.321470 O\n0.269033 0.756136 0.370580 O\n0.756136 0.269033 0.370580 O\n0.763093 0.763093 0.321470 O\n0.259843 0.259843 0.473282 O\n0.267383 0.744927 0.424276 O\n0.744927 0.267383 0.424276 O\n0.259843 0.747493 0.473282 O\n0.747493 0.259843 0.473282 O\n0.744927 0.744927 0.424276 O\n0.258729 0.258729 0.573884 O\n0.261070 0.742218 0.525449 O\n0.258729 0.743699 0.573884 O\n0.742218 0.261070 0.525449 O\n0.743699 0.258729 0.573884 O\n0.742218 0.742218 0.525449 O\n0.258330 0.741498 0.625867 O\n0.258502 0.258502 0.674133 O\n0.741498 0.258330 0.625867 O\n0.258502 0.741670 0.674133 O\n0.741670 0.258502 0.674133 O\n0.741498 0.741498 0.625867 O\n0.257782 0.257782 0.774551 O\n0.256301 0.741271 0.726116 O\n0.741271 0.256301 0.726116 O\n0.257782 0.738930 0.774551 O\n0.738930 0.257782 0.774551 O\n0.741271 0.741271 0.726116 O\n0.252507 0.740157 0.826718 O\n0.255073 0.255073 0.875724 O\n0.255073 0.732617 0.875724 O\n0.740157 0.252507 0.826718 O\n0.740157 0.740157 0.826718 O\n0.732617 0.255073 0.875724 O\n0.243864 0.730967 0.929420 O\n0.236907 0.236907 0.978530 O\n0.730967 0.243864 0.929420 O\n0.236907 0.740891 0.978530 O\n0.740891 0.236907 0.978530 O\n0.730967 0.730967 0.929420 O\n","nsites":100,"nelements":5,"elements":["Ba","Mg","Zr","Ta","O"],"chemical_system":"Ba-Mg-O-Ta-Zr","density":7.095264898372127,"density_atomic":0.06884886571770624,"volume":1452.4567537542227,"volume_molar":8.746899018920589,"formula_full":"Ba20 Mg6 Zr2 Ta12 O60","formula_reduced":"Ba10Mg3ZrTa6O30","formula_anonymous":"AB3C6D10E30","energy":-836.9440024300001,"energy_per_atom":-8.369440024300001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-795.72400243,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1848355,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.231000Z","spacegroup":166},{"id":"mp-1175275","created_at":"2022-09-04T14:44:21.539157Z","structure_string":"Li14 Mn8 Co2 O24\n1.0\n-0.172399 -0.000006 5.192917\n-4.731217 8.581407 -2.103671\n-9.634577 0.000142 0.985603\nLi Mn Co O\n14 8 2 24\ndirect\n0.833284 0.166662 0.166674 Li\n0.333293 0.166674 0.666658 Li\n0.583220 0.666682 0.916691 Li\n0.083424 0.666645 0.416631 Li\n0.083303 0.166639 0.416701 Li\n0.583320 0.166712 0.916670 Li\n0.413195 0.326513 0.086775 Li\n0.913198 0.326560 0.586718 Li\n0.253325 0.006805 0.246623 Li\n0.753425 0.006809 0.746601 Li\n0.999441 0.498923 0.000548 Li\n0.499441 0.498919 0.500535 Li\n0.167206 0.834374 0.832794 Li\n0.667209 0.834380 0.332780 Li\n0.999622 0.999469 0.000224 Mn\n0.499850 0.999427 0.500305 Mn\n0.666879 0.333894 0.333044 Mn\n0.166866 0.333815 0.833097 Mn\n0.248201 0.496170 0.251871 Mn\n0.748006 0.496141 0.751893 Mn\n0.418565 0.837326 0.081341 Mn\n0.918650 0.837256 0.581440 Mn\n0.833365 0.666662 0.166666 Co\n0.333354 0.666627 0.666705 Co\n0.480517 0.166616 0.299494 O\n0.980516 0.166685 0.799464 O\n0.186161 0.166661 0.033906 O\n0.686150 0.166614 0.533921 O\n0.187169 0.666718 0.062203 O\n0.687100 0.666654 0.562247 O\n0.979565 0.666684 0.771084 O\n0.479531 0.666699 0.271057 O\n0.016483 0.339922 0.223115 O\n0.516452 0.339948 0.723143 O\n0.343162 0.993453 0.896308 O\n0.843194 0.993355 0.396391 O\n0.823508 0.339977 0.936940 O\n0.323536 0.339955 0.436914 O\n0.150285 0.993326 0.610233 O\n0.650273 0.993429 0.110170 O\n0.643827 0.499615 0.131665 O\n0.143815 0.499625 0.631695 O\n0.810829 0.833731 0.964617 O\n0.310841 0.833661 0.464677 O\n0.355839 0.499617 0.868743 O\n0.855818 0.499590 0.368708 O\n0.522908 0.833667 0.701686 O\n0.022889 0.833712 0.201636 O\n","nsites":48,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.030388968944942,"density_atomic":0.11218115536560117,"volume":427.87935142552965,"volume_molar":5.368228505379263,"formula_full":"Li14 Mn8 Co2 O24","formula_reduced":"Li7Mn4CoO12","formula_anonymous":"AB4C7D12","energy":-332.4718665,"energy_per_atom":-6.92649721875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-299.3638665,"band_gap":0.7710000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.020822,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.184000Z","spacegroup":10},{"id":"mp-28902","created_at":"2022-09-04T14:44:21.953955Z","structure_string":"Ba8 V7 O22\n1.0\n19.557070 -2.944040 0.000000\n19.557070 2.944040 0.000000\n19.113887 0.000000 5.079931\nBa V O\n8 7 22\ndirect\n0.612235 0.612235 0.612235 Ba\n0.387765 0.387765 0.387765 Ba\n0.818963 0.818963 0.818963 Ba\n0.181037 0.181037 0.181037 Ba\n0.894290 0.894290 0.894290 Ba\n0.105710 0.105710 0.105710 Ba\n0.680846 0.680846 0.680846 Ba\n0.319154 0.319154 0.319154 Ba\n0.000000 0.000000 0.000000 V\n0.744021 0.744021 0.744021 V\n0.255979 0.255979 0.255979 V\n0.534589 0.534589 0.534589 V\n0.465411 0.465411 0.465411 V\n0.955056 0.955056 0.955056 V\n0.044944 0.044944 0.044944 V\n0.564007 0.564007 0.564007 O\n0.435993 0.435993 0.435993 O\n0.773645 0.773645 0.773645 O\n0.226355 0.226355 0.226355 O\n0.592578 0.104045 0.104045 O\n0.104045 0.592578 0.104045 O\n0.104045 0.104045 0.592578 O\n0.895955 0.895955 0.407422 O\n0.407422 0.895955 0.895955 O\n0.895955 0.407422 0.895955 O\n0.200453 0.686466 0.686466 O\n0.686466 0.200453 0.686466 O\n0.686466 0.686466 0.200453 O\n0.313534 0.313534 0.799547 O\n0.799547 0.313534 0.313534 O\n0.174049 0.716808 0.174049 O\n0.716808 0.174049 0.174049 O\n0.174049 0.174049 0.716808 O\n0.825951 0.825951 0.283192 O\n0.825951 0.283192 0.825951 O\n0.283192 0.825951 0.825951 O\n0.313534 0.799547 0.313534 O\n","nsites":37,"nelements":3,"elements":["Ba","V","O"],"chemical_system":"Ba-O-V","density":5.130012220405474,"density_atomic":0.06325085761394145,"volume":584.97230544815,"volume_molar":9.521042065163444,"formula_full":"Ba8 V7 O22","formula_reduced":"Ba8V7O22","formula_anonymous":"A7B8C22","energy":-294.77595451,"energy_per_atom":-7.96691768945946,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-267.76195451,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0004344,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.387000Z","spacegroup":166}]}