{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=10265","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=10263","results":[{"id":"mp-1176512","created_at":"2022-09-04T14:45:20.593316Z","structure_string":"Mn4 P16 O44\n1.0\n9.814800 0.000000 -0.033608\n0.000000 8.406226 0.000000\n-2.209505 0.000000 11.312387\nMn P O\n4 16 44\ndirect\n0.037614 0.015373 0.783555 Mn\n0.462386 0.515373 0.716445 Mn\n0.537614 0.484627 0.283555 Mn\n0.962386 0.984627 0.216445 Mn\n0.181782 0.395662 0.828446 P\n0.063435 0.388509 0.241359 P\n0.318218 0.895662 0.671554 P\n0.260353 0.004527 0.426196 P\n0.284007 0.369521 0.452160 P\n0.215993 0.869521 0.047840 P\n0.239647 0.504527 0.073804 P\n0.436565 0.888509 0.258641 P\n0.563435 0.111491 0.741359 P\n0.760353 0.495473 0.926196 P\n0.784007 0.130479 0.952160 P\n0.715993 0.630479 0.547840 P\n0.739647 0.995473 0.573804 P\n0.681782 0.104338 0.328446 P\n0.936565 0.611491 0.758641 P\n0.818218 0.604338 0.171554 P\n0.089320 0.550724 0.770040 O\n0.153341 0.409048 0.965517 O\n0.112466 0.250305 0.774694 O\n0.203732 0.947367 0.930718 O\n0.169893 0.933281 0.668433 O\n0.073247 0.220341 0.205947 O\n0.124704 0.934752 0.374280 O\n0.131578 0.425868 0.374469 O\n0.109420 0.882949 0.122312 O\n0.132074 0.512049 0.162789 O\n0.254970 0.179621 0.472204 O\n0.330107 0.433281 0.831567 O\n0.296268 0.447367 0.569282 O\n0.387534 0.750305 0.725306 O\n0.346659 0.909048 0.534483 O\n0.410680 0.050724 0.729960 O\n0.245030 0.679621 0.027796 O\n0.367926 0.012049 0.337211 O\n0.390580 0.382949 0.377688 O\n0.368422 0.925868 0.125531 O\n0.375296 0.434752 0.125720 O\n0.426753 0.720341 0.294053 O\n0.573247 0.279659 0.705947 O\n0.624704 0.565248 0.874280 O\n0.631578 0.074132 0.874469 O\n0.609420 0.617051 0.622312 O\n0.632074 0.987951 0.662789 O\n0.754970 0.320379 0.972204 O\n0.589320 0.949276 0.270040 O\n0.653341 0.090952 0.465517 O\n0.612466 0.249695 0.274695 O\n0.703732 0.552633 0.430718 O\n0.669893 0.566719 0.168433 O\n0.745030 0.820379 0.527796 O\n0.867926 0.487951 0.837211 O\n0.890580 0.117051 0.877688 O\n0.868422 0.574132 0.625531 O\n0.875296 0.065248 0.625720 O\n0.926753 0.779659 0.794053 O\n0.830107 0.066719 0.331567 O\n0.796268 0.052633 0.069282 O\n0.887534 0.749695 0.225305 O\n0.846659 0.590952 0.034483 O\n0.910680 0.449276 0.229960 O\n","nsites":64,"nelements":3,"elements":["Mn","P","O"],"chemical_system":"Mn-O-P","density":2.5268468161857784,"density_atomic":0.06861732147508966,"volume":932.709097705513,"volume_molar":8.776414803929988,"formula_full":"Mn4 P16 O44","formula_reduced":"MnP4O11","formula_anonymous":"AB4C11","energy":-504.25096028,"energy_per_atom":-7.878921254375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-467.35096028,"band_gap":4.0554,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0001987,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.907000Z","spacegroup":14},{"id":"mp-1192496","created_at":"2022-09-04T14:45:20.594550Z","structure_string":"H12 C4 O8 F4\n1.0\n0.000000 -6.587226 0.000000\n-6.693551 0.000000 0.000000\n0.000000 0.000000 -7.233102\nH C O F\n12 4 8 4\ndirect\n0.750000 0.118630 0.638970 H\n0.750000 0.618630 0.861030 H\n0.250000 0.881370 0.361030 H\n0.250000 0.381370 0.138970 H\n0.750000 0.394890 0.176973 H\n0.750000 0.894890 0.323027 H\n0.250000 0.605110 0.823027 H\n0.250000 0.105110 0.676973 H\n0.750000 0.108726 0.950195 H\n0.750000 0.608726 0.549805 H\n0.250000 0.891274 0.049805 H\n0.250000 0.391274 0.450195 H\n0.750000 0.253907 0.877716 C\n0.750000 0.753907 0.622284 C\n0.250000 0.746093 0.122284 C\n0.250000 0.246093 0.377716 C\n0.750000 0.413689 0.967235 O\n0.750000 0.913689 0.532765 O\n0.250000 0.586311 0.032765 O\n0.250000 0.086311 0.467235 O\n0.750000 0.258132 0.698532 O\n0.750000 0.758132 0.801468 O\n0.250000 0.741868 0.301468 O\n0.250000 0.241868 0.198532 O\n0.750000 0.390972 0.313304 F\n0.750000 0.890972 0.186696 F\n0.250000 0.609028 0.686696 F\n0.250000 0.109028 0.813304 F\n","nsites":28,"nelements":4,"elements":["H","C","O","F"],"chemical_system":"C-F-H-O","density":1.3752383978722595,"density_atomic":0.08779591336462307,"volume":318.9214500646959,"volume_molar":6.859249513117534,"formula_full":"H12 C4 O8 F4","formula_reduced":"H3CO2F","formula_anonymous":"ABC2D3","energy":-162.89771746,"energy_per_atom":-5.817775623571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.55371746,"band_gap":5.5308,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000857,"is_theoretical":false,"updated_at":"2021-11-28T01:37:04.141000Z","spacegroup":62},{"id":"mp-1030338","created_at":"2022-09-04T14:45:20.605296Z","structure_string":"Te4 Mo3 W1 Se2 S2\n1.0\n1.699063 -2.942863 0.000000\n1.699063 2.942863 0.000000\n0.000000 0.000000 39.291391\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333333 0.666667 0.330158 Te\n0.666667 0.333333 0.045520 Te\n0.666667 0.333333 0.140925 Te\n0.333333 0.666667 0.234744 Te\n0.333333 0.666667 0.093226 Mo\n0.333333 0.666667 0.469692 Mo\n0.666667 0.333333 0.282457 Mo\n0.666667 0.333333 0.657550 W\n0.333333 0.666667 0.699596 Se\n0.333333 0.666667 0.615464 Se\n0.666667 0.333333 0.431462 S\n0.666667 0.333333 0.507954 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.088717406522621,"density_atomic":0.030540371747297117,"volume":392.9225256094672,"volume_molar":19.718622974957636,"formula_full":"Te4 Mo3 W1 Se2 S2","formula_reduced":"Te4Mo3W(SeS)2","formula_anonymous":"AB2C2D3E4","energy":-82.21111838,"energy_per_atom":-6.8509265316666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.57311838,"band_gap":1.0826000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001044,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.728000Z","spacegroup":156},{"id":"mp-1186331","created_at":"2022-09-04T14:45:20.605335Z","structure_string":"Nd1 Tm1\n1.0\n1.811573 -3.137736 0.000000\n1.811573 3.137736 0.000000\n0.000000 0.000000 5.837369\nNd Tm\n1 1\ndirect\n0.666667 0.333333 0.500000 Nd\n0.333333 0.666667 0.000000 Tm\n","nsites":2,"nelements":2,"elements":["Nd","Tm"],"chemical_system":"Nd-Tm","density":7.836433971922389,"density_atomic":0.03013773520771013,"volume":66.3619872633409,"volume_molar":19.9820614206583,"formula_full":"Nd1 Tm1","formula_reduced":"NdTm","formula_anonymous":"AB","energy":-9.17250548,"energy_per_atom":-4.58625274,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.17250548,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002069,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.851000Z","spacegroup":187},{"id":"mp-569790","created_at":"2022-09-04T14:45:20.630430Z","structure_string":"Ba1 Ag2 Ge1 Se4\n1.0\n-3.564622 3.685043 4.244347\n3.564622 -3.685043 4.244347\n3.564622 3.685043 -4.244347\nBa Ag Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.707299 0.207299 0.500000 Ag\n0.292701 0.792701 0.500000 Ag\n0.500000 0.500000 0.000000 Ge\n0.147737 0.531123 0.002688 Se\n0.528435 0.145049 0.997312 Se\n0.471565 0.468877 0.616614 Se\n0.852263 0.854951 0.383386 Se\n","nsites":8,"nelements":4,"elements":["Ba","Ag","Ge","Se"],"chemical_system":"Ag-Ba-Ge-Se","density":5.52152132974412,"density_atomic":0.03587261775216655,"volume":223.01132455037617,"volume_molar":16.78756984395511,"formula_full":"Ba1 Ag2 Ge1 Se4","formula_reduced":"BaAg2GeSe4","formula_anonymous":"ABC2D4","energy":-33.80033929,"energy_per_atom":-4.22504241125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.91233929,"band_gap":0.0350000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006092,"is_theoretical":false,"updated_at":"2021-11-28T01:36:57.672000Z","spacegroup":23},{"id":"mp-849398","created_at":"2022-09-04T14:45:20.635783Z","structure_string":"Li20 Mn8 P12 O48\n1.0\n8.889050 0.000000 0.000000\n0.000000 8.731993 0.000000\n0.000000 8.505705 12.590380\nLi Mn P O\n20 8 12 48\ndirect\n0.901128 0.609657 0.308504 Li\n0.274959 0.625238 0.253010 Li\n0.324717 0.868494 0.035604 Li\n0.476533 0.278369 0.648364 Li\n0.225433 0.981138 0.819156 Li\n0.725433 0.018862 0.680844 Li\n0.824717 0.131506 0.464396 Li\n0.774959 0.374762 0.246990 Li\n0.401128 0.390343 0.191496 Li\n0.976533 0.721631 0.851636 Li\n0.023467 0.278369 0.148364 Li\n0.598872 0.609657 0.808504 Li\n0.225041 0.625238 0.753010 Li\n0.175283 0.868494 0.535604 Li\n0.274567 0.981138 0.319156 Li\n0.774567 0.018862 0.180844 Li\n0.523467 0.721631 0.351636 Li\n0.675283 0.131506 0.964396 Li\n0.725041 0.374762 0.746990 Li\n0.098872 0.390343 0.691496 Li\n0.957038 0.661280 0.096315 Mn\n0.457038 0.338720 0.403685 Mn\n0.050354 0.147544 0.605963 Mn\n0.550354 0.852456 0.894037 Mn\n0.449646 0.147544 0.105963 Mn\n0.949646 0.852456 0.394037 Mn\n0.542962 0.661280 0.596315 Mn\n0.042962 0.338720 0.903685 Mn\n0.748359 0.437760 0.506459 P\n0.611020 0.745079 0.152873 P\n0.892878 0.054448 0.842618 P\n0.111020 0.254921 0.347127 P\n0.392878 0.945552 0.657382 P\n0.248359 0.562240 0.993541 P\n0.751641 0.437760 0.006459 P\n0.607122 0.054448 0.342618 P\n0.888980 0.745079 0.652873 P\n0.107122 0.945552 0.157382 P\n0.388980 0.254921 0.847127 P\n0.251641 0.562240 0.493541 P\n0.133102 0.410294 0.555832 O\n0.136299 0.803090 0.126893 O\n0.315146 0.572512 0.394800 O\n0.406712 0.127774 0.805400 O\n0.620209 0.483982 0.425909 O\n0.607725 0.865873 0.029571 O\n0.766027 0.644537 0.191516 O\n0.019545 0.133614 0.757059 O\n0.740046 0.035863 0.800362 O\n0.815369 0.242556 0.545857 O\n0.478896 0.603855 0.197799 O\n0.948028 0.862971 0.934433 O\n0.978896 0.396145 0.302201 O\n0.448028 0.137029 0.565567 O\n0.266027 0.355463 0.308484 O\n0.107725 0.134127 0.470429 O\n0.315369 0.757444 0.954143 O\n0.240046 0.964137 0.699638 O\n0.519545 0.866386 0.742941 O\n0.120209 0.516018 0.074091 O\n0.815146 0.427488 0.105200 O\n0.636299 0.196910 0.373107 O\n0.906712 0.872226 0.694600 O\n0.633102 0.589706 0.944168 O\n0.366898 0.410294 0.055832 O\n0.093288 0.127774 0.305400 O\n0.363701 0.803090 0.626893 O\n0.184854 0.572512 0.894800 O\n0.879791 0.483982 0.925909 O\n0.480455 0.133614 0.257059 O\n0.759954 0.035863 0.300362 O\n0.684631 0.242556 0.045857 O\n0.892275 0.865873 0.529571 O\n0.733973 0.644537 0.691516 O\n0.551972 0.862971 0.434433 O\n0.021104 0.603855 0.697799 O\n0.051972 0.137029 0.065567 O\n0.521104 0.396145 0.802201 O\n0.184631 0.757444 0.454143 O\n0.259954 0.964137 0.199638 O\n0.980455 0.866386 0.242941 O\n0.233973 0.355463 0.808484 O\n0.392275 0.134127 0.970429 O\n0.379791 0.516018 0.574091 O\n0.593288 0.872226 0.194600 O\n0.684854 0.427488 0.605200 O\n0.863701 0.196910 0.873107 O\n0.866898 0.589706 0.444168 O\n","nsites":88,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.9191728625044666,"density_atomic":0.09004821453703173,"volume":977.2542459885263,"volume_molar":6.687684804148376,"formula_full":"Li20 Mn8 P12 O48","formula_reduced":"Li5Mn2(PO4)3","formula_anonymous":"A2B3C5D12","energy":-646.8364561100001,"energy_per_atom":-7.3504142739772735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-600.51645611,"band_gap":4.1097,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0480562,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.155000Z","spacegroup":14},{"id":"mp-1042286","created_at":"2022-09-04T14:45:20.636307Z","structure_string":"Co8 Si16 O48\n1.0\n5.104953 0.000000 0.000000\n0.000000 10.790964 0.000000\n0.000000 0.000000 18.472324\nCo Si O\n8 16 48\ndirect\n0.439364 0.542356 0.373865 Co\n0.560636 0.457644 0.626135 Co\n0.939364 0.457644 0.126135 Co\n0.060636 0.542356 0.873865 Co\n0.439364 0.042356 0.126135 Co\n0.560636 0.957644 0.873865 Co\n0.939364 0.957644 0.373865 Co\n0.060636 0.042356 0.626135 Co\n0.625105 0.168572 0.276444 Si\n0.766908 0.329469 0.974262 Si\n0.733092 0.329469 0.474262 Si\n0.874895 0.668572 0.723556 Si\n0.125105 0.831428 0.223556 Si\n0.374895 0.331428 0.776444 Si\n0.266908 0.170531 0.974262 Si\n0.766908 0.829469 0.525738 Si\n0.733092 0.829469 0.025738 Si\n0.874895 0.168572 0.776444 Si\n0.374895 0.831428 0.723556 Si\n0.625105 0.668572 0.223556 Si\n0.233092 0.670531 0.025738 Si\n0.125105 0.331428 0.276444 Si\n0.233092 0.170531 0.474262 Si\n0.266908 0.670531 0.525738 Si\n0.796495 0.046136 0.824403 O\n0.336910 0.549081 0.575132 O\n0.203505 0.953864 0.175597 O\n0.777571 0.861802 0.439241 O\n0.277571 0.638198 0.439241 O\n0.970739 0.717115 0.545003 O\n0.875918 0.132608 0.690094 O\n0.124082 0.367392 0.190094 O\n0.777571 0.361802 0.060759 O\n0.875918 0.632608 0.809906 O\n0.296495 0.953864 0.675597 O\n0.722429 0.861802 0.939241 O\n0.663090 0.450919 0.424868 O\n0.375918 0.367392 0.690094 O\n0.703505 0.546136 0.175597 O\n0.336910 0.049081 0.924868 O\n0.296495 0.453864 0.824403 O\n0.167621 0.220353 0.795351 O\n0.332379 0.220353 0.295351 O\n0.529261 0.217115 0.454997 O\n0.722429 0.361802 0.560759 O\n0.624082 0.132608 0.190094 O\n0.836910 0.950919 0.575132 O\n0.167621 0.720353 0.704649 O\n0.222429 0.638198 0.939241 O\n0.624082 0.632608 0.309906 O\n0.663090 0.950919 0.075132 O\n0.277571 0.138198 0.060759 O\n0.163090 0.049081 0.424868 O\n0.667621 0.279647 0.795351 O\n0.203505 0.453864 0.324403 O\n0.832379 0.279647 0.295351 O\n0.832379 0.779647 0.204649 O\n0.836910 0.450919 0.924868 O\n0.222429 0.138198 0.560759 O\n0.163090 0.549081 0.075132 O\n0.332379 0.720353 0.204649 O\n0.029261 0.282885 0.454997 O\n0.470739 0.282885 0.954997 O\n0.667621 0.779647 0.704649 O\n0.470739 0.782885 0.545003 O\n0.529261 0.717115 0.045003 O\n0.029261 0.782885 0.045003 O\n0.375918 0.867392 0.809906 O\n0.703505 0.046136 0.324403 O\n0.970739 0.217115 0.954997 O\n0.124082 0.867392 0.309906 O\n0.796495 0.546136 0.675597 O\n","nsites":72,"nelements":3,"elements":["Co","Si","O"],"chemical_system":"Co-O-Si","density":2.7558464299827596,"density_atomic":0.0707552984776354,"volume":1017.5916369395012,"volume_molar":8.511222324789573,"formula_full":"Co8 Si16 O48","formula_reduced":"Co(SiO3)2","formula_anonymous":"AB2C6","energy":-552.97733,"energy_per_atom":-7.6802406944444455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-506.89733,"band_gap":0.8842000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":39.9851485,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.620000Z","spacegroup":61},{"id":"mp-1245910","created_at":"2022-09-04T14:45:20.737535Z","structure_string":"Te2 O2\n1.0\n3.215225 0.000000 0.000000\n-1.607612 2.784466 0.000000\n0.000000 0.000000 7.064650\nTe O\n2 2\ndirect\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":4,"nelements":2,"elements":["Te","O"],"chemical_system":"O-Te","density":7.540285298683358,"density_atomic":0.06324352254246479,"volume":63.247583929472064,"volume_molar":9.522146328829868,"formula_full":"Te2 O2","formula_reduced":"TeO","formula_anonymous":"AB","energy":-17.413516379999997,"energy_per_atom":-4.353379094999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.03951638,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016588,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.473000Z","spacegroup":194},{"id":"mp-769559","created_at":"2022-09-04T14:45:20.595367Z","structure_string":"Mg1 Cr3 S6 O24\n1.0\n7.833025 -4.166557 0.000000\n7.833025 4.166557 0.000000\n5.616742 0.000000 6.867946\nMg Cr S O\n1 3 6 24\ndirect\n0.852640 0.852640 0.852640 Mg\n0.644780 0.644780 0.644780 Cr\n0.356082 0.356082 0.356082 Cr\n0.150025 0.150025 0.150025 Cr\n0.961560 0.255250 0.532801 S\n0.460767 0.043166 0.747335 S\n0.747335 0.460767 0.043166 S\n0.255250 0.532801 0.961560 S\n0.532801 0.961560 0.255250 S\n0.043166 0.747335 0.460767 S\n0.702804 0.482477 0.891953 O\n0.891953 0.702804 0.482477 O\n0.986827 0.054460 0.666321 O\n0.978254 0.286654 0.340418 O\n0.647311 0.027347 0.718890 O\n0.952303 0.322735 0.018461 O\n0.482477 0.891953 0.702804 O\n0.764812 0.388794 0.613307 O\n0.322735 0.018461 0.952303 O\n0.618556 0.370330 0.239359 O\n0.370330 0.239359 0.618556 O\n0.718890 0.647311 0.027347 O\n0.286654 0.340418 0.978254 O\n0.613307 0.764812 0.388794 O\n0.388794 0.613307 0.764812 O\n0.666321 0.986827 0.054460 O\n0.239359 0.618556 0.370330 O\n0.504646 0.107633 0.310953 O\n0.054460 0.666321 0.986827 O\n0.340418 0.978254 0.286654 O\n0.027347 0.718890 0.647311 O\n0.018461 0.952303 0.322735 O\n0.107633 0.310953 0.504646 O\n0.310953 0.504646 0.107633 O\n","nsites":34,"nelements":4,"elements":["Mg","Cr","S","O"],"chemical_system":"Cr-Mg-O-S","density":2.802794613265123,"density_atomic":0.07584294866641145,"volume":448.29480654221413,"volume_molar":7.940277726394654,"formula_full":"Mg1 Cr3 S6 O24","formula_reduced":"MgCr3(SO4)6","formula_anonymous":"AB3C6D24","energy":-243.042614,"energy_per_atom":-7.148312176470588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-220.557614,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9969319,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.512000Z","spacegroup":146},{"id":"mp-697196","created_at":"2022-09-04T14:45:20.607235Z","structure_string":"Ta22\n1.0\n10.516577 0.000000 0.000000\n0.000000 10.516577 0.000000\n0.000000 0.000000 4.766210\nTa\n22\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.757993 0.432150 0.500000 Ta\n0.242007 0.567850 0.500000 Ta\n0.932150 0.742007 0.000000 Ta\n0.067850 0.257993 0.000000 Ta\n0.432150 0.757993 0.500000 Ta\n0.567850 0.242007 0.500000 Ta\n0.257993 0.067850 0.000000 Ta\n0.742007 0.932150 0.000000 Ta\n0.035151 0.377732 0.500000 Ta\n0.964849 0.622268 0.500000 Ta\n0.877732 0.464849 0.000000 Ta\n0.122268 0.535151 0.000000 Ta\n0.377732 0.035151 0.500000 Ta\n0.622268 0.964849 0.500000 Ta\n0.535151 0.122268 0.000000 Ta\n0.464849 0.877732 0.000000 Ta\n0.102360 0.102360 0.500000 Ta\n0.897640 0.897640 0.500000 Ta\n0.602360 0.397640 0.000000 Ta\n0.397640 0.602360 0.000000 Ta\n","nsites":22,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":12.540166189192433,"density_atomic":0.04173502666690942,"volume":527.1351609664409,"volume_molar":14.42946426765984,"formula_full":"Ta22","formula_reduced":"Ta","formula_anonymous":"A","energy":-234.22388242,"energy_per_atom":-10.64654011,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-234.22388242,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2761434,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.648000Z","spacegroup":136},{"id":"mp-510541","created_at":"2022-09-04T14:45:20.621412Z","structure_string":"Rb2 Gd2 W4 O16\n1.0\n5.389094 5.492545 0.000000\n-5.389094 5.492545 0.000000\n0.000000 4.853689 5.757388\nRb Gd W O\n2 2 4 16\ndirect\n0.202238 0.797762 0.750000 Rb\n0.797762 0.202238 0.250000 Rb\n0.775818 0.224182 0.750000 Gd\n0.224182 0.775818 0.250000 Gd\n0.699373 0.688780 0.782564 W\n0.311220 0.300627 0.717436 W\n0.300627 0.311220 0.217436 W\n0.688780 0.699373 0.282564 W\n0.409875 0.627816 0.032265 O\n0.372184 0.590125 0.467735 O\n0.590125 0.372184 0.967735 O\n0.627816 0.409875 0.532265 O\n0.938328 0.628140 0.628321 O\n0.371860 0.061672 0.871679 O\n0.061672 0.371860 0.371679 O\n0.628140 0.938328 0.128321 O\n0.623236 0.750761 0.560067 O\n0.249239 0.376764 0.939933 O\n0.376764 0.249239 0.439933 O\n0.750761 0.623236 0.060067 O\n0.779810 0.952551 0.693510 O\n0.047449 0.220190 0.806490 O\n0.220190 0.047449 0.306490 O\n0.952551 0.779810 0.193510 O\n","nsites":24,"nelements":4,"elements":["Rb","Gd","W","O"],"chemical_system":"Gd-O-Rb-W","density":7.194850718303928,"density_atomic":0.07041519156512059,"volume":340.8355422537563,"volume_molar":8.552331714429366,"formula_full":"Rb2 Gd2 W4 O16","formula_reduced":"RbGd(WO4)2","formula_anonymous":"ABC2D8","energy":-224.8316703,"energy_per_atom":-9.3679862625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.0876703,"band_gap":3.2402,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9996352,"is_theoretical":false,"updated_at":"2021-11-28T01:37:06.007000Z","spacegroup":15},{"id":"mp-339","created_at":"2022-09-04T14:45:20.641635Z","structure_string":"U2 Mn4\n1.0\n0.000000 3.532251 3.532251\n3.532251 0.000000 3.532251\n3.532251 3.532251 0.000000\nU Mn\n2 4\ndirect\n0.750000 0.750000 0.750000 U\n0.500000 0.500000 0.500000 U\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.125000 Mn\n","nsites":6,"nelements":2,"elements":["U","Mn"],"chemical_system":"Mn-U","density":13.10856336017476,"density_atomic":0.06807169808737862,"volume":88.14235825729281,"volume_molar":8.846761472396093,"formula_full":"U2 Mn4","formula_reduced":"UMn2","formula_anonymous":"AB2","energy":-59.41022665,"energy_per_atom":-9.901704441666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.41022665,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.4031637,"is_theoretical":false,"updated_at":"2021-11-28T01:37:03.846000Z","spacegroup":227}]}