{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=10270","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=10268","results":[{"id":"mp-1224603","created_at":"2022-09-04T14:48:25.810619Z","structure_string":"Hf3 Ti2 Pb5 O15\n1.0\n2.898166 8.723143 0.000000\n-2.898166 8.723143 0.000000\n0.000000 1.799565 6.873670\nHf Ti Pb O\n3 2 5 15\ndirect\n0.000478 0.000478 0.996425 Hf\n0.602299 0.602299 0.599372 Hf\n0.204060 0.204060 0.195063 Hf\n0.806011 0.806011 0.787417 Ti\n0.405379 0.405379 0.384365 Ti\n0.814812 0.814812 0.276074 Pb\n0.017352 0.017352 0.471915 Pb\n0.624906 0.624906 0.067988 Pb\n0.224169 0.224169 0.676261 Pb\n0.412301 0.412301 0.860794 Pb\n0.696455 0.696455 0.716669 O\n0.296293 0.296293 0.327158 O\n0.889062 0.889062 0.920312 O\n0.487407 0.487407 0.516548 O\n0.092991 0.092991 0.118493 O\n0.505851 0.982666 0.003836 O\n0.093212 0.590666 0.617658 O\n0.691449 0.186620 0.220225 O\n0.297343 0.779958 0.807392 O\n0.898660 0.384398 0.404862 O\n0.982666 0.505851 0.003836 O\n0.590666 0.093212 0.617658 O\n0.186620 0.691449 0.220225 O\n0.779958 0.297343 0.807392 O\n0.384398 0.898660 0.404862 O\n","nsites":25,"nelements":4,"elements":["Hf","Ti","Pb","O"],"chemical_system":"Hf-O-Pb-Ti","density":9.112326533397239,"density_atomic":0.07193248862093923,"volume":347.5481034966252,"volume_molar":8.3719344005109,"formula_full":"Hf3 Ti2 Pb5 O15","formula_reduced":"Hf3Ti2(PbO3)5","formula_anonymous":"A2B3C5D15","energy":-210.22971333,"energy_per_atom":-8.4091885332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-199.92471333,"band_gap":2.6732,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0030724,"is_theoretical":true,"updated_at":"2021-11-28T01:39:48.457000Z","spacegroup":8},{"id":"mp-1112651","created_at":"2022-09-04T14:39:08.442262Z","structure_string":"Cs3 In1 Br6\n1.0\n0.000000 6.114920 6.114920\n6.114920 0.000000 6.114920\n6.114920 6.114920 0.000000\nCs In Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 In\n0.778282 0.221718 0.221718 Br\n0.221718 0.221718 0.778282 Br\n0.221718 0.778282 0.778282 Br\n0.221718 0.778282 0.221718 Br\n0.778282 0.221718 0.778282 Br\n0.778282 0.778282 0.221718 Br\n","nsites":10,"nelements":3,"elements":["Cs","In","Br"],"chemical_system":"Br-Cs-In","density":3.6056020966752396,"density_atomic":0.021867425993838306,"volume":457.30119323681487,"volume_molar":27.539321553880594,"formula_full":"Cs3 In1 Br6","formula_reduced":"Cs3InBr6","formula_anonymous":"AB3C6","energy":-32.55904734,"energy_per_atom":-3.255904734,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.35504734,"band_gap":2.6733,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001226,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.472000Z","spacegroup":225},{"id":"mp-1228476","created_at":"2022-09-04T14:42:39.383629Z","structure_string":"Ba6 In4 W2 O18\n1.0\n-2.987347 4.229294 8.975320\n2.987347 -4.229294 8.975320\n2.987347 4.229294 -8.975320\nBa In W O\n6 4 2 18\ndirect\n0.580194 0.838917 0.741277 Ba\n0.265725 0.500000 0.765725 Ba\n0.902359 0.161083 0.741277 Ba\n0.097641 0.838917 0.258723 Ba\n0.734275 0.500000 0.234275 Ba\n0.419806 0.161083 0.258723 Ba\n0.330689 0.330689 0.000000 In\n0.000000 0.000000 0.000000 In\n0.669311 0.669311 0.000000 In\n0.500000 0.000000 0.500000 In\n0.167506 0.667506 0.500000 W\n0.832494 0.332494 0.500000 W\n0.597940 0.329692 0.268247 O\n0.241473 0.000000 0.241473 O\n0.938555 0.670308 0.268247 O\n0.909191 0.639341 0.730150 O\n0.586990 0.336273 0.749283 O\n0.244605 0.981292 0.736687 O\n0.755395 0.492083 0.736687 O\n0.413010 0.162293 0.749283 O\n0.090809 0.820959 0.730150 O\n0.061445 0.329692 0.731753 O\n0.758527 0.000000 0.758527 O\n0.402060 0.670308 0.731753 O\n0.755395 0.018708 0.263313 O\n0.413010 0.663727 0.250717 O\n0.090809 0.360659 0.269850 O\n0.909191 0.179041 0.269850 O\n0.586990 0.837707 0.250717 O\n0.244605 0.507917 0.263313 O\n","nsites":30,"nelements":4,"elements":["Ba","In","W","O"],"chemical_system":"Ba-In-O-W","density":7.098093961338573,"density_atomic":0.06613902279029539,"volume":453.59000986633737,"volume_molar":9.105276289149575,"formula_full":"Ba6 In4 W2 O18","formula_reduced":"Ba3In2WO9","formula_anonymous":"AB2C3D9","energy":-215.80665968,"energy_per_atom":-7.193555322666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.56465968,"band_gap":2.6734,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0013462,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.943000Z","spacegroup":71},{"id":"mp-1245407","created_at":"2022-09-04T14:41:31.748999Z","structure_string":"Y6 Ge12 N22\n1.0\n10.369628 0.000000 0.000000\n0.000000 10.369628 0.000000\n0.000000 0.000000 5.165254\nY Ge N\n6 12 22\ndirect\n0.316655 0.816655 0.968066 Y\n0.683345 0.183345 0.968066 Y\n0.183345 0.316655 0.968066 Y\n0.816655 0.683345 0.968066 Y\n0.500000 0.500000 0.965310 Y\n0.000000 0.000000 0.965310 Y\n0.418780 0.294112 0.528151 Ge\n0.581220 0.705888 0.528151 Ge\n0.081220 0.794112 0.528151 Ge\n0.918780 0.205888 0.528151 Ge\n0.294112 0.581220 0.528151 Ge\n0.705888 0.418780 0.528151 Ge\n0.794112 0.918780 0.528151 Ge\n0.205888 0.081220 0.528151 Ge\n0.878843 0.378843 0.046483 Ge\n0.121157 0.621157 0.046483 Ge\n0.621157 0.878843 0.046483 Ge\n0.378843 0.121157 0.046483 Ge\n0.316557 0.422180 0.675190 N\n0.683443 0.577820 0.675190 N\n0.183443 0.922180 0.675190 N\n0.816557 0.077820 0.675190 N\n0.422180 0.683443 0.675190 N\n0.577820 0.316557 0.675190 N\n0.922180 0.816557 0.675190 N\n0.077820 0.183443 0.675190 N\n0.412911 0.288478 0.168906 N\n0.587089 0.711522 0.168906 N\n0.087089 0.788478 0.168906 N\n0.912911 0.211522 0.168906 N\n0.288478 0.587089 0.168906 N\n0.711522 0.412911 0.168906 N\n0.788478 0.912911 0.168906 N\n0.211522 0.087089 0.168906 N\n0.846864 0.346864 0.695736 N\n0.153136 0.653136 0.695736 N\n0.653136 0.846864 0.695736 N\n0.346864 0.153136 0.695736 N\n0.500000 0.000000 0.093674 N\n0.000000 0.500000 0.093674 N\n","nsites":40,"nelements":3,"elements":["Y","Ge","N"],"chemical_system":"Ge-N-Y","density":5.122181583300378,"density_atomic":0.07201814900769599,"volume":555.4155522065074,"volume_molar":8.36197658920179,"formula_full":"Y6 Ge12 N22","formula_reduced":"Y3Ge6N11","formula_anonymous":"A3B6C11","energy":-305.37795042,"energy_per_atom":-7.6344487605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-297.43595042,"band_gap":2.6735,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013282,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.243000Z","spacegroup":100},{"id":"mp-752617","created_at":"2022-09-04T14:46:06.203723Z","structure_string":"Li1 Fe1 Si2 O6\n1.0\n2.686027 -4.662813 0.000000\n2.686027 4.662813 0.000000\n0.000000 0.000000 5.640242\nLi Fe Si O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.663399 Si\n0.000000 0.500000 0.336601 Si\n0.155048 0.367193 0.170968 O\n0.632807 0.844952 0.829032 O\n0.240967 0.759033 0.500000 O\n0.759033 0.240967 0.500000 O\n0.367193 0.155048 0.829032 O\n0.844952 0.632807 0.170968 O\n","nsites":10,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":2.526430234343206,"density_atomic":0.07078054358196888,"volume":141.28176323510843,"volume_molar":8.50818665022816,"formula_full":"Li1 Fe1 Si2 O6","formula_reduced":"LiFe(SiO3)2","formula_anonymous":"ABC2D6","energy":-78.38282975,"energy_per_atom":-7.838282975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.00482975,"band_gap":2.6735,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9997777,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.082000Z","spacegroup":21},{"id":"mp-1147614","created_at":"2022-09-04T14:41:10.028807Z","structure_string":"Li24 Zn12 P16 S64\n1.0\n9.349765 0.000000 0.000000\n-0.015863 11.605413 0.000000\n-0.015658 -0.016837 23.109926\nLi Zn P S\n24 12 16 64\ndirect\n0.257754 0.503344 0.877361 Li\n0.249694 0.993829 0.872467 Li\n0.748812 0.242468 0.752809 Li\n0.755226 0.258324 0.996115 Li\n0.493980 0.502082 0.250344 Li\n0.495080 0.002328 0.251827 Li\n0.498666 0.500121 0.499610 Li\n0.494584 0.997970 0.498742 Li\n0.997206 0.249845 0.374935 Li\n0.998862 0.750232 0.374672 Li\n0.503050 0.502124 0.747896 Li\n0.497302 0.995588 0.748902 Li\n0.001623 0.248254 0.622767 Li\n0.996767 0.749605 0.624213 Li\n0.505428 0.503798 0.999708 Li\n0.007719 0.251384 0.875173 Li\n0.987602 0.750612 0.874986 Li\n0.001846 0.250506 0.127712 Li\n0.996851 0.749549 0.124776 Li\n0.517725 0.751296 0.874329 Li\n0.497593 0.250777 0.875673 Li\n0.997135 0.996943 0.749209 Li\n0.007076 0.501449 0.002669 Li\n0.000029 0.997257 0.000384 Li\n0.502576 0.998385 0.001865 Zn\n0.503999 0.748798 0.124408 Zn\n0.490749 0.252135 0.127164 Zn\n0.500789 0.749755 0.374831 Zn\n0.502076 0.250246 0.375133 Zn\n0.000329 0.500036 0.250329 Zn\n0.999214 0.000410 0.249369 Zn\n0.500212 0.750892 0.626133 Zn\n0.493116 0.248227 0.623081 Zn\n0.001256 0.500548 0.499560 Zn\n0.000432 0.999766 0.499758 Zn\n0.001016 0.500318 0.749876 Zn\n0.249169 0.751000 0.249521 P\n0.248642 0.250350 0.250647 P\n0.249972 0.749379 0.500019 P\n0.249108 0.250184 0.499312 P\n0.749994 0.500209 0.375062 P\n0.750156 0.000040 0.374834 P\n0.249591 0.751956 0.748127 P\n0.250326 0.255928 0.751923 P\n0.752291 0.499004 0.625126 P\n0.745630 0.005647 0.623904 P\n0.251959 0.748454 0.996975 P\n0.249785 0.244636 0.002240 P\n0.752123 0.498752 0.874275 P\n0.750452 0.010290 0.876476 P\n0.746631 0.493672 0.126194 P\n0.751278 0.992446 0.125528 P\n0.139540 0.648823 0.052338 S\n0.129536 0.143584 0.053955 S\n0.135629 0.639273 0.301858 S\n0.132713 0.139265 0.302232 S\n0.628878 0.386816 0.179533 S\n0.625212 0.891989 0.178139 S\n0.135800 0.637916 0.552144 S\n0.138015 0.137373 0.551601 S\n0.636353 0.388802 0.427423 S\n0.635869 0.888598 0.426904 S\n0.131904 0.639925 0.802358 S\n0.132710 0.144245 0.802153 S\n0.631708 0.386098 0.676118 S\n0.636277 0.891688 0.676483 S\n0.631964 0.391585 0.926824 S\n0.632848 0.902498 0.930214 S\n0.364411 0.353368 0.306418 S\n0.363351 0.853951 0.306098 S\n0.360644 0.355911 0.555366 S\n0.364965 0.852786 0.555777 S\n0.864748 0.103861 0.430686 S\n0.864042 0.604542 0.430942 S\n0.372329 0.360779 0.803772 S\n0.369505 0.851375 0.803630 S\n0.865720 0.107720 0.678003 S\n0.862733 0.603466 0.681354 S\n0.376290 0.351645 0.052513 S\n0.371521 0.857086 0.053247 S\n0.872033 0.114418 0.929697 S\n0.879383 0.595658 0.925931 S\n0.859670 0.102850 0.180222 S\n0.863471 0.599274 0.180645 S\n0.134698 0.862285 0.197496 S\n0.137803 0.363091 0.198397 S\n0.135580 0.860808 0.447935 S\n0.133753 0.360812 0.447310 S\n0.635706 0.611201 0.322786 S\n0.636705 0.112197 0.322839 S\n0.128715 0.854004 0.697206 S\n0.129651 0.358932 0.697774 S\n0.633812 0.608584 0.574091 S\n0.626944 0.111596 0.570620 S\n0.134481 0.857037 0.945413 S\n0.139577 0.354527 0.948403 S\n0.633542 0.600670 0.821915 S\n0.623096 0.108866 0.822646 S\n0.637032 0.607718 0.073726 S\n0.629918 0.109914 0.073283 S\n0.362541 0.647505 0.193279 S\n0.359650 0.144249 0.194726 S\n0.364016 0.645764 0.443898 S\n0.364076 0.146901 0.443553 S\n0.864422 0.396155 0.319484 S\n0.863905 0.896275 0.318819 S\n0.368486 0.645219 0.695056 S\n0.367673 0.150865 0.697056 S\n0.865520 0.395605 0.569099 S\n0.862546 0.900539 0.569337 S\n0.378527 0.647183 0.945206 S\n0.372135 0.137124 0.948241 S\n0.872835 0.389580 0.818898 S\n0.866783 0.903352 0.825534 S\n0.866962 0.391921 0.072262 S\n0.858666 0.891190 0.070186 S\n","nsites":116,"nelements":4,"elements":["Li","Zn","P","S"],"chemical_system":"Li-P-S-Zn","density":2.317191934591673,"density_atomic":0.04625920223395496,"volume":2507.6091760798727,"volume_molar":13.018254680535016,"formula_full":"Li24 Zn12 P16 S64","formula_reduced":"Li6Zn3(PS4)4","formula_anonymous":"A3B4C6D16","energy":-529.2248617299999,"energy_per_atom":-4.562283290775861,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-497.0328617299999,"band_gap":2.6735999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0037359,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.982000Z","spacegroup":1},{"id":"mp-781961","created_at":"2022-09-04T14:47:03.268732Z","structure_string":"Li4 Cr4 P4 H8 O20\n1.0\n7.293283 0.000000 0.000000\n0.000000 6.057264 0.000000\n0.000000 0.723442 9.840383\nLi Cr P H O\n4 4 4 8 20\ndirect\n0.440339 0.421245 0.350645 Li\n0.059661 0.921245 0.350645 Li\n0.940339 0.078755 0.649355 Li\n0.559661 0.578755 0.649355 Li\n0.194436 0.208401 0.012653 Cr\n0.305564 0.708401 0.012653 Cr\n0.694436 0.291599 0.987347 Cr\n0.805564 0.791599 0.987347 Cr\n0.528389 0.003986 0.201760 P\n0.971611 0.503986 0.201760 P\n0.028389 0.496014 0.798240 P\n0.471611 0.996014 0.798240 P\n0.733018 0.144358 0.415617 H\n0.895856 0.310136 0.442028 H\n0.766982 0.644358 0.415617 H\n0.604144 0.810136 0.442028 H\n0.395856 0.189864 0.557972 H\n0.233018 0.355642 0.584383 H\n0.104144 0.689864 0.557972 H\n0.266982 0.855642 0.584383 H\n0.455100 0.191838 0.092121 O\n0.044900 0.691838 0.092121 O\n0.774232 0.453537 0.153395 O\n0.725768 0.953537 0.153395 O\n0.103069 0.302431 0.197613 O\n0.396931 0.802431 0.197613 O\n0.529151 0.095596 0.341672 O\n0.970849 0.595596 0.341672 O\n0.855786 0.155276 0.459924 O\n0.644214 0.655276 0.459924 O\n0.355786 0.344724 0.540076 O\n0.144214 0.844724 0.540076 O\n0.029151 0.404404 0.658328 O\n0.470849 0.904404 0.658328 O\n0.603069 0.197569 0.802387 O\n0.896931 0.697569 0.802387 O\n0.274232 0.046463 0.846605 O\n0.225768 0.546463 0.846605 O\n0.955100 0.308162 0.907879 O\n0.544900 0.808162 0.907879 O\n","nsites":40,"nelements":5,"elements":["Li","Cr","P","H","O"],"chemical_system":"Cr-H-Li-O-P","density":2.6268385058930592,"density_atomic":0.09201283695734627,"volume":434.72195100931964,"volume_molar":6.544891951099868,"formula_full":"Li4 Cr4 P4 H8 O20","formula_reduced":"LiCrPH2O5","formula_anonymous":"ABCD2E5","energy":-278.58231091,"energy_per_atom":-6.96455777275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.84631091,"band_gap":2.6737,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0025958,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.842000Z","spacegroup":14},{"id":"mp-1041577","created_at":"2022-09-04T14:45:18.722712Z","structure_string":"Sn2 W4 O16\n1.0\n5.883620 0.000000 0.000000\n0.000000 5.096408 0.000000\n0.000000 4.929896 9.580788\nSn W O\n2 4 16\ndirect\n0.339244 0.500000 0.750000 Sn\n0.660756 0.500000 0.250000 Sn\n0.168859 0.273073 0.491185 W\n0.168859 0.726927 0.008815 W\n0.831141 0.726927 0.508815 W\n0.831141 0.273073 0.991185 W\n0.344455 0.719559 0.867803 O\n0.344455 0.280441 0.632197 O\n0.655545 0.280441 0.132197 O\n0.655545 0.719559 0.367803 O\n0.892932 0.179230 0.394736 O\n0.892932 0.820770 0.105264 O\n0.107068 0.820770 0.605264 O\n0.107068 0.179230 0.894736 O\n0.605052 0.252392 0.879769 O\n0.605052 0.747608 0.620231 O\n0.394948 0.747608 0.120231 O\n0.394948 0.252392 0.379769 O\n0.896300 0.668878 0.890214 O\n0.103700 0.331122 0.109786 O\n0.896300 0.331122 0.609786 O\n0.103700 0.668878 0.390214 O\n","nsites":22,"nelements":3,"elements":["Sn","W","O"],"chemical_system":"O-Sn-W","density":7.102476472936274,"density_atomic":0.07657952110065619,"volume":287.2830710325699,"volume_molar":7.863904962378248,"formula_full":"Sn2 W4 O16","formula_reduced":"Sn(WO4)2","formula_anonymous":"AB2C8","energy":-184.49457469000004,"energy_per_atom":-8.386117031363638,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.75057469,"band_gap":2.6737,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.4e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.117000Z","spacegroup":13},{"id":"mp-531952","created_at":"2022-09-04T14:39:37.182325Z","structure_string":"K8 W24 Br56\n1.0\n14.134414 0.000000 0.000000\n0.000000 14.398117 0.000000\n0.000000 0.000000 14.419577\nK W Br\n8 24 56\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.250000 0.750000 0.250000 K\n0.750000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.750000 0.250000 0.750000 K\n0.250000 0.750000 0.750000 K\n0.622520 0.540030 0.029350 W\n0.877480 0.959970 0.029350 W\n0.530524 0.379532 0.040945 W\n0.969476 0.120468 0.040945 W\n0.040890 0.968327 0.120070 W\n0.459110 0.531673 0.120070 W\n0.459110 0.968327 0.379930 W\n0.040890 0.531673 0.379930 W\n0.530524 0.120468 0.459055 W\n0.969476 0.379532 0.459055 W\n0.877480 0.540030 0.470650 W\n0.622520 0.959970 0.470650 W\n0.377480 0.040030 0.529350 W\n0.122520 0.459970 0.529350 W\n0.030524 0.620468 0.540945 W\n0.469476 0.879532 0.540945 W\n0.959110 0.468327 0.620070 W\n0.540890 0.031673 0.620070 W\n0.540890 0.468327 0.879930 W\n0.959110 0.031673 0.879930 W\n0.469476 0.620468 0.959055 W\n0.030524 0.879532 0.959055 W\n0.122520 0.040030 0.970650 W\n0.377480 0.459970 0.970650 W\n0.193924 0.887661 0.049120 Br\n0.306076 0.612339 0.049120 Br\n0.793807 0.592819 0.071213 Br\n0.706193 0.907181 0.071213 Br\n0.576188 0.209668 0.096373 Br\n0.923812 0.290332 0.096373 Br\n0.551971 0.691152 0.108208 Br\n0.948029 0.808848 0.108208 Br\n0.367868 0.370630 0.131944 Br\n0.132132 0.129370 0.131944 Br\n0.888236 0.047832 0.191409 Br\n0.611764 0.452168 0.191409 Br\n0.096448 0.577075 0.210353 Br\n0.403552 0.922925 0.210353 Br\n0.403552 0.577075 0.289647 Br\n0.096448 0.922925 0.289647 Br\n0.611764 0.047832 0.308591 Br\n0.888236 0.452168 0.308591 Br\n0.367868 0.129370 0.368056 Br\n0.132132 0.370630 0.368056 Br\n0.948029 0.691152 0.391792 Br\n0.551971 0.808848 0.391792 Br\n0.923812 0.209668 0.403627 Br\n0.576188 0.290332 0.403627 Br\n0.706193 0.592819 0.428787 Br\n0.793807 0.907181 0.428787 Br\n0.193924 0.612339 0.450880 Br\n0.306076 0.887661 0.450880 Br\n0.693924 0.112339 0.549120 Br\n0.806076 0.387661 0.549120 Br\n0.206193 0.092819 0.571213 Br\n0.293807 0.407181 0.571213 Br\n0.423812 0.709668 0.596373 Br\n0.076188 0.790332 0.596373 Br\n0.448029 0.191152 0.608208 Br\n0.051971 0.308848 0.608208 Br\n0.867868 0.629370 0.631944 Br\n0.632132 0.870630 0.631944 Br\n0.388236 0.952168 0.691409 Br\n0.111764 0.547832 0.691409 Br\n0.903552 0.077075 0.710353 Br\n0.596448 0.422925 0.710353 Br\n0.596448 0.077075 0.789647 Br\n0.903552 0.422925 0.789647 Br\n0.388236 0.547832 0.808591 Br\n0.111764 0.952168 0.808591 Br\n0.867868 0.870630 0.868056 Br\n0.632132 0.629370 0.868056 Br\n0.051971 0.191152 0.891792 Br\n0.448029 0.308848 0.891792 Br\n0.076188 0.709668 0.903627 Br\n0.423812 0.790332 0.903627 Br\n0.293807 0.092819 0.928787 Br\n0.206193 0.407181 0.928787 Br\n0.693924 0.387661 0.950880 Br\n0.806076 0.112339 0.950880 Br\n","nsites":88,"nelements":3,"elements":["K","W","Br"],"chemical_system":"Br-K-W","density":5.2057177595090245,"density_atomic":0.029987940851648295,"volume":2934.512924223107,"volume_molar":20.081874876944045,"formula_full":"K8 W24 Br56","formula_reduced":"KW3Br7","formula_anonymous":"AB3C7","energy":-505.46319651,"energy_per_atom":-5.743899960340909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-475.55919651,"band_gap":2.6737,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0049687,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.984000Z","spacegroup":48},{"id":"mp-1110784","created_at":"2022-09-04T14:46:22.369307Z","structure_string":"Rb2 Ag1 Mo1 F6\n1.0\n6.389572 0.000008 0.000006\n3.194793 5.533526 0.000006\n3.194794 1.844514 5.217057\nRb Ag Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n0.230065 0.769935 0.230065 F\n0.769935 0.769935 0.230065 F\n0.769935 0.230065 0.769935 F\n0.769935 0.230065 0.230065 F\n0.230065 0.769935 0.769935 F\n0.230065 0.230065 0.769935 F\n","nsites":10,"nelements":4,"elements":["Rb","Ag","Mo","F"],"chemical_system":"Ag-F-Mo-Rb","density":4.399701242530748,"density_atomic":0.05421273803375908,"volume":184.45849375423265,"volume_molar":11.108350137655698,"formula_full":"Rb2 Ag1 Mo1 F6","formula_reduced":"Rb2AgMoF6","formula_anonymous":"ABC2D6","energy":-53.0388444,"energy_per_atom":-5.30388444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.0648444,"band_gap":2.6738,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9999306,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.820000Z","spacegroup":225},{"id":"mp-1197101","created_at":"2022-09-04T14:39:43.484893Z","structure_string":"V4 P4 H36 O36\n1.0\n6.446481 0.000000 0.000000\n2.882930 8.576921 0.000000\n3.065106 1.502235 13.058836\nV P H O\n4 4 36 36\ndirect\n0.348504 0.017786 0.801562 V\n0.651496 0.982214 0.198438 V\n0.732959 0.386557 0.693546 V\n0.267041 0.613443 0.306454 V\n0.868774 0.014269 0.758999 P\n0.131226 0.985731 0.241001 P\n0.209022 0.389239 0.730839 P\n0.790978 0.610761 0.269161 P\n0.901768 0.876736 0.631810 H\n0.098232 0.123264 0.368190 H\n0.656395 0.111559 0.490187 H\n0.343605 0.888441 0.509813 H\n0.560692 0.738465 0.891921 H\n0.439308 0.261535 0.108079 H\n0.321563 0.988433 0.036326 H\n0.678437 0.011567 0.963674 H\n0.857623 0.486970 0.465470 H\n0.142377 0.513030 0.534530 H\n0.318393 0.736237 0.888446 H\n0.681607 0.263763 0.111554 H\n0.719329 0.857128 0.521275 H\n0.280671 0.142872 0.478725 H\n0.714703 0.366269 0.491075 H\n0.285297 0.633731 0.508925 H\n0.560877 0.682859 0.734677 H\n0.439123 0.317141 0.265323 H\n0.552922 0.684882 0.615214 H\n0.447078 0.315118 0.384786 H\n0.108557 0.085820 0.993473 H\n0.891443 0.914180 0.006527 H\n0.064894 0.641920 0.753588 H\n0.935106 0.358080 0.246412 H\n0.950102 0.873288 0.459587 H\n0.049898 0.126712 0.540413 H\n0.492988 0.244362 0.557232 H\n0.507012 0.755638 0.442768 H\n0.837572 0.322436 0.941450 H\n0.162428 0.677564 0.058550 H\n0.999433 0.336868 0.011487 H\n0.000567 0.663132 0.988513 H\n0.631298 0.702080 0.051509 H\n0.368702 0.297920 0.948491 H\n0.736723 0.549396 0.996652 H\n0.263277 0.450604 0.003348 H\n0.219861 0.250315 0.814945 O\n0.780139 0.749685 0.185055 O\n0.645005 0.017859 0.832714 O\n0.354995 0.982141 0.167286 O\n0.040120 0.994518 0.825984 O\n0.959880 0.005482 0.174016 O\n0.446776 0.771549 0.845168 O\n0.553224 0.228451 0.154832 O\n0.419306 0.012419 0.677847 O\n0.580694 0.987581 0.322153 O\n0.255134 0.012948 0.973814 O\n0.744866 0.987052 0.026186 O\n0.437937 0.386052 0.663542 O\n0.562063 0.613948 0.336458 O\n0.851281 0.155021 0.674781 O\n0.148719 0.844979 0.325219 O\n0.051795 0.401497 0.656984 O\n0.948205 0.598503 0.343016 O\n0.637241 0.630555 0.671737 O\n0.362759 0.369445 0.328263 O\n0.684086 0.373274 0.819562 O\n0.315914 0.626726 0.180438 O\n0.802172 0.413607 0.520346 O\n0.197828 0.586393 0.479654 O\n0.951930 0.860607 0.700204 O\n0.048070 0.139393 0.299796 O\n0.116181 0.538563 0.793498 O\n0.883819 0.461437 0.206502 O\n0.831721 0.911157 0.517869 O\n0.168279 0.088843 0.482131 O\n0.843488 0.342710 0.010142 O\n0.156512 0.657290 0.989858 O\n0.554757 0.220802 0.485950 O\n0.445243 0.779198 0.514050 O\n0.712296 0.665346 0.985566 O\n0.287704 0.334654 0.014434 O\n","nsites":80,"nelements":4,"elements":["V","P","H","O"],"chemical_system":"H-O-P-V","density":2.1616423829346094,"density_atomic":0.11079786764764805,"volume":722.0355562654927,"volume_molar":5.435249691944621,"formula_full":"V4 P4 H36 O36","formula_reduced":"VP(HO)9","formula_anonymous":"ABC9D9","energy":-493.44046065,"energy_per_atom":-6.168005758125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-461.90846065000005,"band_gap":2.6738,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0020215,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.777000Z","spacegroup":2},{"id":"mp-1191139","created_at":"2022-09-04T14:46:11.773033Z","structure_string":"Sm6 Sb2 O14\n1.0\n3.814753 -5.409350 0.000000\n3.814753 5.409350 0.000000\n0.000000 0.000000 7.687820\nSm Sb O\n6 2 14\ndirect\n0.500000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.532385 0.999701 0.750000 Sm\n0.999701 0.532385 0.250000 Sm\n0.467615 0.000299 0.250000 Sm\n0.000299 0.467615 0.750000 Sm\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.682731 0.929946 0.471874 O\n0.929946 0.682731 0.528126 O\n0.682731 0.929946 0.028126 O\n0.929946 0.682731 0.971874 O\n0.317269 0.070054 0.528126 O\n0.070054 0.317269 0.471874 O\n0.317269 0.070054 0.971874 O\n0.070054 0.317269 0.028126 O\n0.935065 0.064935 0.750000 O\n0.064935 0.935065 0.250000 O\n0.370152 0.629848 0.750000 O\n0.629848 0.370152 0.250000 O\n0.635811 0.364189 0.750000 O\n0.364189 0.635811 0.250000 O\n","nsites":22,"nelements":3,"elements":["Sm","Sb","O"],"chemical_system":"O-Sb-Sm","density":7.168377047682883,"density_atomic":0.06933906372666208,"volume":317.2814690248062,"volume_molar":8.685062122758923,"formula_full":"Sm6 Sb2 O14","formula_reduced":"Sm3SbO7","formula_anonymous":"AB3C7","energy":-179.58665485,"energy_per_atom":-8.16302976590909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.96865485,"band_gap":2.6738000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003701,"is_theoretical":false,"updated_at":"2021-11-28T01:37:27.481000Z","spacegroup":63}]}