{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=12167","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=12165","results":[{"id":"mp-570848","created_at":"2022-09-04T14:41:20.094308Z","structure_string":"Hg4 C4 N8\n1.0\n7.126571 0.000000 0.000000\n0.000000 5.579729 0.000000\n0.000000 2.856435 6.692044\nHg C N\n4 4 8\ndirect\n0.874847 0.992152 0.255988 Hg\n0.125153 0.007848 0.744012 Hg\n0.374847 0.007848 0.244012 Hg\n0.625153 0.992152 0.755988 Hg\n0.372978 0.570975 0.769594 C\n0.127022 0.570975 0.269594 C\n0.627022 0.429025 0.230406 C\n0.872978 0.429025 0.730406 C\n0.626750 0.178896 0.287375 N\n0.874880 0.659713 0.683640 N\n0.374880 0.340287 0.816360 N\n0.373250 0.821104 0.712625 N\n0.125120 0.340287 0.316360 N\n0.873250 0.178896 0.787375 N\n0.126750 0.821104 0.212625 N\n0.625120 0.659713 0.183640 N\n","nsites":16,"nelements":3,"elements":["Hg","C","N"],"chemical_system":"C-Hg-N","density":6.005893846928133,"density_atomic":0.060126714350186655,"volume":266.10467864273596,"volume_molar":10.015748948007012,"formula_full":"Hg4 C4 N8","formula_reduced":"HgCN2","formula_anonymous":"ABC2","energy":-99.94814034,"energy_per_atom":-6.24675877125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.06014034,"band_gap":1.9453,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.047000Z","spacegroup":14},{"id":"mp-27716","created_at":"2022-09-04T14:41:20.051612Z","structure_string":"K2 Tl2 O2\n1.0\n1.852796 6.568333 0.000000\n-1.852796 6.568333 0.000000\n0.000000 1.867602 6.111502\nK Tl O\n2 2 2\ndirect\n0.869092 0.869092 0.348415 K\n0.130908 0.130908 0.651585 K\n0.361279 0.361279 0.849001 Tl\n0.638721 0.638721 0.150999 Tl\n0.250881 0.250881 0.218409 O\n0.749119 0.749119 0.781591 O\n","nsites":6,"nelements":3,"elements":["K","Tl","O"],"chemical_system":"K-O-Tl","density":5.793272210401877,"density_atomic":0.040335786501623956,"volume":148.7512831752626,"volume_molar":14.930019425200854,"formula_full":"K2 Tl2 O2","formula_reduced":"KTlO","formula_anonymous":"ABC","energy":-24.0502915,"energy_per_atom":-4.008381916666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.6762915,"band_gap":1.1638000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:13.873000Z","spacegroup":12},{"id":"mp-1019532","created_at":"2022-09-04T14:41:16.352059Z","structure_string":"Ba4 Al16 O28\n1.0\n4.980275 0.000000 0.000000\n0.000000 10.413187 0.000000\n0.000000 0.000000 13.146715\nBa Al O\n4 16 28\ndirect\n0.792546 0.823454 0.750000 Ba\n0.707454 0.323454 0.750000 Ba\n0.207454 0.176546 0.250000 Ba\n0.292546 0.676546 0.250000 Ba\n0.705364 0.658766 0.498248 Al\n0.705364 0.658766 0.001752 Al\n0.794636 0.158766 0.001752 Al\n0.794636 0.158766 0.498248 Al\n0.205364 0.841234 0.501752 Al\n0.205364 0.841234 0.998248 Al\n0.294636 0.341234 0.998248 Al\n0.294636 0.341234 0.501752 Al\n0.713751 0.909123 0.368619 Al\n0.713751 0.909123 0.131381 Al\n0.786249 0.409123 0.131381 Al\n0.786249 0.409123 0.368619 Al\n0.213751 0.590877 0.631381 Al\n0.213751 0.590877 0.868619 Al\n0.286249 0.090877 0.868619 Al\n0.286249 0.090877 0.631381 Al\n0.289576 0.659221 0.750000 O\n0.210424 0.159221 0.750000 O\n0.789576 0.840779 0.250000 O\n0.710424 0.340779 0.250000 O\n0.864849 0.613786 0.611237 O\n0.864849 0.613786 0.888763 O\n0.635151 0.113786 0.888763 O\n0.635151 0.113786 0.611237 O\n0.366764 0.694225 0.535613 O\n0.366764 0.694225 0.964387 O\n0.133236 0.194225 0.964387 O\n0.133236 0.194225 0.535613 O\n0.364849 0.886214 0.388763 O\n0.364849 0.886214 0.111237 O\n0.135151 0.386214 0.111237 O\n0.135151 0.386214 0.388763 O\n0.688568 0.569252 0.386081 O\n0.688568 0.569252 0.113919 O\n0.811432 0.069252 0.113919 O\n0.811432 0.069252 0.386081 O\n0.188568 0.930748 0.613919 O\n0.188568 0.930748 0.886081 O\n0.311432 0.430748 0.886081 O\n0.311432 0.430748 0.613919 O\n0.866764 0.805775 0.464387 O\n0.866764 0.805775 0.035613 O\n0.633236 0.305775 0.035613 O\n0.633236 0.305775 0.464387 O\n","nsites":48,"nelements":3,"elements":["Ba","Al","O"],"chemical_system":"Al-Ba-O","density":3.4803731952745203,"density_atomic":0.07040232430088438,"volume":681.7956718993869,"volume_molar":8.553894803618508,"formula_full":"Ba4 Al16 O28","formula_reduced":"BaAl4O7","formula_anonymous":"AB4C7","energy":-370.50456781,"energy_per_atom":-7.718845162708334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-351.26856781,"band_gap":4.3469,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.111000Z","spacegroup":62},{"id":"mp-28174","created_at":"2022-09-04T14:41:21.622611Z","structure_string":"Pd1 S2 Cl6\n1.0\n4.755114 0.000000 0.000000\n-0.225792 6.978366 0.000000\n-1.070935 -2.124384 8.070847\nPd S Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.293791 0.225951 0.206600 S\n0.706209 0.774049 0.793400 S\n0.745525 0.817841 0.567024 Cl\n0.287626 0.128779 0.841316 Cl\n0.712374 0.871221 0.158684 Cl\n0.089941 0.481760 0.215566 Cl\n0.910059 0.518240 0.784434 Cl\n0.254475 0.182159 0.432976 Cl\n","nsites":9,"nelements":3,"elements":["Pd","S","Cl"],"chemical_system":"Cl-Pd-S","density":2.3763908238441642,"density_atomic":0.03360537285193842,"volume":267.8143176584593,"volume_molar":17.920172427584394,"formula_full":"Pd1 S2 Cl6","formula_reduced":"Pd(SCl3)2","formula_anonymous":"AB2C6","energy":-30.85158203,"energy_per_atom":-3.427953558888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.16758203,"band_gap":1.7553,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:20.287000Z","spacegroup":2},{"id":"mp-9370","created_at":"2022-09-04T14:41:19.924886Z","structure_string":"Rb1 Lu1 S2\n1.0\n7.749322 -1.998642 0.000000\n7.749322 1.998642 0.000000\n7.233848 0.000000 3.423156\nRb Lu S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Lu\n0.770551 0.770551 0.770551 S\n0.229449 0.229449 0.229449 S\n","nsites":4,"nelements":3,"elements":["Rb","Lu","S"],"chemical_system":"Lu-Rb-S","density":5.0827074279683,"density_atomic":0.03772285791151771,"volume":106.03650469384777,"volume_molar":15.9641689241188,"formula_full":"Rb1 Lu1 S2","formula_reduced":"RbLuS2","formula_anonymous":"ABC2","energy":-22.11834251,"energy_per_atom":-5.5295856275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.11234251,"band_gap":2.3998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.039000Z","spacegroup":166},{"id":"mp-1521248","created_at":"2022-09-04T14:41:17.159322Z","structure_string":"K1 Ba1 La1 Se1 O6\n1.0\n0.000000 -4.207574 -4.207574\n4.207574 0.000000 -4.207574\n4.207574 -4.207574 0.000000\nK Ba La Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Se\n0.719713 0.280287 0.280287 O\n0.280287 0.719713 0.719713 O\n0.719713 0.280287 0.719713 O\n0.280287 0.719713 0.280287 O\n0.719713 0.719713 0.280287 O\n0.280287 0.280287 0.719713 O\n","nsites":10,"nelements":5,"elements":["K","Ba","La","Se","O"],"chemical_system":"Ba-K-La-O-Se","density":5.464800877247512,"density_atomic":0.06712351889511799,"volume":148.97907863896745,"volume_molar":8.971729818589711,"formula_full":"K1 Ba1 La1 Se1 O6","formula_reduced":"KBaLaSeO6","formula_anonymous":"ABCDE6","energy":-65.44620727,"energy_per_atom":-6.544620727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.32420727,"band_gap":1.9314,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.902000Z","spacegroup":216},{"id":"mp-776954","created_at":"2022-09-04T14:41:17.283345Z","structure_string":"Li4 Mn2 P2 H2 O10\n1.0\n-0.622243 -2.026042 5.023339\n5.588992 -0.159477 0.213966\n-2.271758 7.390116 0.000205\nLi Mn P H O\n4 2 2 2 10\ndirect\n0.208668 0.575558 0.211013 Li\n0.791153 0.424643 0.788842 Li\n0.482666 0.124936 0.832367 Li\n0.518025 0.874908 0.167645 Li\n0.999593 0.999973 0.500526 Mn\n0.000086 0.000335 0.999683 Mn\n0.665377 0.377005 0.228177 P\n0.334628 0.622882 0.771775 P\n0.670360 0.916080 0.635104 H\n0.329303 0.083988 0.365110 H\n0.861976 0.356505 0.117350 O\n0.138240 0.643610 0.882822 O\n0.382188 0.247078 0.069978 O\n0.617903 0.752800 0.929750 O\n0.270271 0.772807 0.630881 O\n0.729724 0.226942 0.368924 O\n0.655242 0.663450 0.328719 O\n0.344839 0.336480 0.671220 O\n0.815472 0.061158 0.723505 O\n0.184291 0.938859 0.276604 O\n","nsites":20,"nelements":5,"elements":["Li","Mn","P","H","O"],"chemical_system":"H-Li-Mn-O-P","density":2.8918849614362023,"density_atomic":0.09632444137189927,"volume":207.63162199697533,"volume_molar":6.251934269464488,"formula_full":"Li4 Mn2 P2 H2 O10","formula_reduced":"Li2MnPHO5","formula_anonymous":"ABCD2E5","energy":-140.17211569,"energy_per_atom":-7.0086057845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.96611569,"band_gap":3.2607000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.645000Z","spacegroup":2},{"id":"mp-1518052","created_at":"2022-09-04T14:41:27.280179Z","structure_string":"Ba4 Sr4 Ce4 Sn4 O24\n1.0\n8.561609 0.000000 0.000000\n0.000000 8.573004 0.000000\n0.000000 0.000000 8.574933\nBa Sr Ce Sn O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.749965 0.747357 0.749520 Ce\n0.250035 0.252643 0.749520 Ce\n0.250035 0.747357 0.250480 Ce\n0.749965 0.252643 0.250480 Ce\n0.250246 0.252544 0.250474 Sn\n0.749754 0.747456 0.250474 Sn\n0.749754 0.252544 0.749526 Sn\n0.250246 0.747456 0.749526 Sn\n0.007287 0.228596 0.274571 O\n0.992713 0.771404 0.274571 O\n0.992713 0.228596 0.725429 O\n0.007287 0.771404 0.725429 O\n0.272033 0.008494 0.226553 O\n0.272033 0.991506 0.773447 O\n0.727967 0.991506 0.226553 O\n0.727967 0.008494 0.773447 O\n0.218998 0.282814 0.008194 O\n0.781002 0.282814 0.991806 O\n0.218998 0.717186 0.991806 O\n0.781002 0.717186 0.008194 O\n0.491448 0.286071 0.217198 O\n0.508552 0.713929 0.217198 O\n0.508552 0.286071 0.782802 O\n0.491448 0.713929 0.782802 O\n0.217581 0.492483 0.286142 O\n0.217581 0.507517 0.713858 O\n0.782419 0.507517 0.286142 O\n0.782419 0.492483 0.713858 O\n0.286030 0.220874 0.491788 O\n0.713970 0.220874 0.508212 O\n0.286030 0.779126 0.508212 O\n0.713970 0.779126 0.491788 O\n","nsites":40,"nelements":5,"elements":["Ba","Sr","Ce","Sn","O"],"chemical_system":"Ba-Ce-O-Sn-Sr","density":6.118503694667112,"density_atomic":0.06355369997553988,"volume":629.3890051310141,"volume_molar":9.475672954238323,"formula_full":"Ba4 Sr4 Ce4 Sn4 O24","formula_reduced":"BaSrCeSnO6","formula_anonymous":"ABCDE6","energy":-297.40756549,"energy_per_atom":-7.435189137250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-280.91956549,"band_gap":2.1779999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.722000Z","spacegroup":16},{"id":"mp-1044800","created_at":"2022-09-04T14:41:19.816967Z","structure_string":"Ba6 Al3 V6 F33\n1.0\n3.740478 -6.478698 0.000000\n3.740478 6.478698 0.000000\n0.000000 0.000000 14.569966\nBa Al V F\n6 3 6 33\ndirect\n0.870693 0.859390 0.665551 Ba\n0.518787 0.164328 0.797940 Ba\n0.988696 0.129307 0.998884 Ba\n0.835672 0.354459 0.464607 Ba\n0.645541 0.481213 0.131273 Ba\n0.140610 0.011304 0.332217 Ba\n0.499622 0.677825 0.874133 Al\n0.178203 0.500378 0.207466 Al\n0.322175 0.821797 0.540799 Al\n0.978546 0.664988 0.883795 V\n0.143343 0.437439 0.724755 V\n0.562561 0.705904 0.391421 V\n0.686442 0.021454 0.217128 V\n0.294096 0.856657 0.058088 V\n0.335012 0.313558 0.550461 V\n0.984882 0.740798 0.022710 F\n0.838292 0.357621 0.923432 F\n0.755916 0.015118 0.356043 F\n0.420385 0.090114 0.499790 F\n0.870699 0.900930 0.177726 F\n0.242194 0.299173 0.194102 F\n0.909886 0.330270 0.166456 F\n0.700827 0.943020 0.860768 F\n0.030231 0.129301 0.511060 F\n0.607858 0.007209 0.080595 F\n0.669730 0.579615 0.833123 F\n0.259202 0.244084 0.689377 F\n0.582790 0.667110 0.986323 F\n0.356328 0.154857 0.023541 F\n0.084319 0.417210 0.319656 F\n0.642379 0.480671 0.590099 F\n0.322204 0.783684 0.912628 F\n0.399351 0.392142 0.413929 F\n0.309631 0.751028 0.420194 F\n0.332890 0.915681 0.652990 F\n0.441396 0.690369 0.753528 F\n0.845143 0.201471 0.690207 F\n0.798529 0.643672 0.356874 F\n0.461480 0.677796 0.245961 F\n0.992791 0.600649 0.747262 F\n0.099070 0.969769 0.844393 F\n0.519329 0.161708 0.256765 F\n0.265206 0.424980 0.870756 F\n0.159774 0.734794 0.204089 F\n0.248972 0.558604 0.086861 F\n0.056980 0.757806 0.527435 F\n0.216316 0.538520 0.579294 F\n0.575020 0.840226 0.537423 F\n","nsites":48,"nelements":4,"elements":["Ba","Al","V","F"],"chemical_system":"Al-Ba-F-V","density":4.320895477928155,"density_atomic":0.06797322296455917,"volume":706.1604247458872,"volume_molar":8.859578077002332,"formula_full":"Ba6 Al3 V6 F33","formula_reduced":"Ba2AlV2F11","formula_anonymous":"AB2C2D11","energy":-314.85164595000003,"energy_per_atom":-6.559409290625001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-289.40564595,"band_gap":2.4566,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.521000Z","spacegroup":145},{"id":"mp-1209413","created_at":"2022-09-04T14:41:19.838061Z","structure_string":"S48 N16\n1.0\n8.410512 0.000000 0.000000\n0.000000 13.380115 0.000000\n0.000000 0.000000 14.621980\nS N\n48 16\ndirect\n0.105827 0.145867 0.491746 S\n0.894173 0.854133 0.508254 S\n0.394173 0.854133 0.991746 S\n0.894173 0.645867 0.008254 S\n0.605827 0.145867 0.008254 S\n0.105827 0.354133 0.991746 S\n0.605827 0.354133 0.508254 S\n0.394173 0.645867 0.491746 S\n0.390575 0.397793 0.311742 S\n0.609425 0.602207 0.688258 S\n0.109425 0.602207 0.811742 S\n0.609425 0.897793 0.188258 S\n0.890575 0.397793 0.188258 S\n0.390575 0.102207 0.811742 S\n0.890575 0.102207 0.688258 S\n0.109425 0.897793 0.311742 S\n0.099064 0.130563 0.036066 S\n0.900936 0.869437 0.963934 S\n0.400936 0.869437 0.536066 S\n0.900936 0.630563 0.463934 S\n0.599064 0.130563 0.463934 S\n0.099064 0.369437 0.536066 S\n0.599064 0.369437 0.963934 S\n0.400936 0.630563 0.036066 S\n0.400648 0.142969 0.288263 S\n0.599352 0.857031 0.711737 S\n0.099352 0.857031 0.788263 S\n0.599352 0.642969 0.211737 S\n0.900648 0.142969 0.211737 S\n0.400648 0.357031 0.788263 S\n0.900648 0.357031 0.711737 S\n0.099352 0.642969 0.288263 S\n0.462450 0.278699 0.231507 S\n0.537550 0.721301 0.768493 S\n0.037550 0.721301 0.731507 S\n0.537550 0.778699 0.268493 S\n0.962450 0.278699 0.268493 S\n0.462450 0.221301 0.731507 S\n0.962450 0.221301 0.768493 S\n0.037550 0.778699 0.231507 S\n0.093834 0.430117 0.114770 S\n0.906166 0.569883 0.885230 S\n0.406166 0.569883 0.614770 S\n0.906166 0.930117 0.385230 S\n0.593834 0.430117 0.385230 S\n0.093834 0.069883 0.614770 S\n0.593834 0.069883 0.885230 S\n0.406166 0.930117 0.114770 S\n0.016401 0.103371 0.128712 N\n0.983599 0.896629 0.871288 N\n0.483599 0.896629 0.628712 N\n0.983599 0.603371 0.371288 N\n0.516401 0.103371 0.371288 N\n0.016401 0.396629 0.628712 N\n0.516401 0.396629 0.871288 N\n0.483599 0.603371 0.128712 N\n0.151238 0.234577 0.998954 N\n0.848762 0.765423 0.001046 N\n0.348762 0.765423 0.498954 N\n0.848762 0.734577 0.501046 N\n0.651238 0.234577 0.501046 N\n0.151238 0.265423 0.498954 N\n0.651238 0.265423 0.001046 N\n0.348762 0.734577 0.998954 N\n","nsites":64,"nelements":2,"elements":["S","N"],"chemical_system":"N-S","density":1.779380831321717,"density_atomic":0.03889479685183916,"volume":1645.4643083442081,"volume_molar":15.4831526256326,"formula_full":"S48 N16","formula_reduced":"S3N","formula_anonymous":"AB3","energy":-315.3620567,"energy_per_atom":-4.9275321359375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-309.5860567,"band_gap":1.6651,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.246000Z","spacegroup":61},{"id":"mp-9308","created_at":"2022-09-04T14:41:26.756580Z","structure_string":"Li16 Zr4 F32\n1.0\n5.757897 0.000000 0.000000\n0.000000 9.738401 0.000000\n0.000000 0.000000 9.746879\nLi Zr F\n16 4 32\ndirect\n0.118674 0.369410 0.058482 Li\n0.618674 0.130590 0.941518 Li\n0.381326 0.869410 0.441518 Li\n0.881326 0.630590 0.558482 Li\n0.881326 0.630590 0.941518 Li\n0.381326 0.869410 0.058482 Li\n0.618674 0.130590 0.558482 Li\n0.118674 0.369410 0.441518 Li\n0.630117 0.397134 0.080866 Li\n0.130117 0.102866 0.919134 Li\n0.869883 0.897134 0.419134 Li\n0.369883 0.602866 0.580866 Li\n0.369883 0.602866 0.919134 Li\n0.869883 0.897134 0.080866 Li\n0.130117 0.102866 0.580866 Li\n0.630117 0.397134 0.419134 Li\n0.370151 0.134423 0.250000 Zr\n0.629849 0.865577 0.750000 Zr\n0.129849 0.634423 0.250000 Zr\n0.870151 0.365577 0.750000 Zr\n0.853212 0.980405 0.616279 F\n0.381290 0.711979 0.750000 F\n0.881290 0.788021 0.250000 F\n0.118710 0.211979 0.750000 F\n0.146788 0.019595 0.116279 F\n0.646788 0.480405 0.883721 F\n0.353212 0.519595 0.383721 F\n0.646788 0.480405 0.616279 F\n0.853212 0.980405 0.883721 F\n0.353212 0.519595 0.116279 F\n0.101737 0.477509 0.621190 F\n0.146788 0.019595 0.383721 F\n0.601737 0.022491 0.121190 F\n0.101737 0.477509 0.878810 F\n0.898263 0.522491 0.378810 F\n0.398263 0.977509 0.621190 F\n0.398263 0.977509 0.878810 F\n0.898263 0.522491 0.121190 F\n0.879834 0.714210 0.750000 F\n0.601737 0.022491 0.378810 F\n0.371794 0.234335 0.463113 F\n0.871794 0.265665 0.536887 F\n0.128206 0.734335 0.036887 F\n0.628206 0.765665 0.963113 F\n0.628206 0.765665 0.536887 F\n0.128206 0.734335 0.463113 F\n0.871794 0.265665 0.963113 F\n0.371794 0.234335 0.036887 F\n0.120166 0.285790 0.250000 F\n0.620166 0.214210 0.750000 F\n0.379834 0.785790 0.250000 F\n0.618710 0.288021 0.250000 F\n","nsites":52,"nelements":3,"elements":["Li","Zr","F"],"chemical_system":"F-Li-Zr","density":3.2932261501549545,"density_atomic":0.09514505546325314,"volume":546.5339186236894,"volume_molar":6.329431130896622,"formula_full":"Li16 Zr4 F32","formula_reduced":"Li4ZrF8","formula_anonymous":"AB4C8","energy":-309.20292138,"energy_per_atom":-5.946210026538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-294.41892138,"band_gap":5.8187,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.254000Z","spacegroup":62},{"id":"mp-1289597","created_at":"2022-09-04T14:41:16.275893Z","structure_string":"Mn4 B4 O12\n1.0\n-4.756215 0.100745 0.180588\n0.175259 -8.050217 -0.181423\n-2.596720 1.500946 5.104924\nMn B O\n4 4 12\ndirect\n0.498818 0.500156 0.999673 Mn\n0.749288 0.750316 0.499461 Mn\n0.998965 0.000206 0.999525 Mn\n0.249323 0.250341 0.499402 Mn\n0.131734 0.632834 0.750105 B\n0.631702 0.132851 0.749943 B\n0.368313 0.867132 0.250336 B\n0.868176 0.367194 0.250421 B\n0.980662 0.780906 0.765281 O\n0.480519 0.280925 0.765274 O\n0.070054 0.868507 0.265954 O\n0.569977 0.368544 0.265935 O\n0.020467 0.519404 0.250217 O\n0.520610 0.019383 0.249974 O\n0.479536 0.980714 0.750367 O\n0.979599 0.480697 0.750501 O\n0.430837 0.631098 0.734251 O\n0.930806 0.131071 0.734070 O\n0.520376 0.718839 0.234647 O\n0.020238 0.218882 0.234663 O\n","nsites":20,"nelements":3,"elements":["Mn","B","O"],"chemical_system":"B-Mn-O","density":3.9682112510227046,"density_atomic":0.10504485944838822,"volume":190.39484754441142,"volume_molar":5.73292285945593,"formula_full":"Mn4 B4 O12","formula_reduced":"MnBO3","formula_anonymous":"ABC3","energy":-170.91563587,"energy_per_atom":-8.5457817935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.99963587,"band_gap":1.3314,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.442000Z","spacegroup":15}]}