{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=12150","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=12148","results":[{"id":"mp-1177120","created_at":"2022-09-04T14:45:35.969033Z","structure_string":"Li10 Mn4 P6 O24\n1.0\n8.775959 0.095357 0.392690\n-4.004065 2.497012 7.781675\n4.301299 -7.469290 0.152632\nLi Mn P O\n10 4 6 24\ndirect\n0.956986 0.914052 0.288853 Li\n0.442842 0.638581 0.024077 Li\n0.380358 0.365040 0.304351 Li\n0.289967 0.867638 0.656254 Li\n0.864681 0.604566 0.243858 Li\n0.144834 0.391262 0.761562 Li\n0.628118 0.631704 0.701617 Li\n0.567284 0.360136 0.981785 Li\n0.720187 0.130469 0.349939 Li\n0.050655 0.082069 0.722106 Li\n0.107383 0.386313 0.134053 Mn\n0.354463 0.023665 0.327363 Mn\n0.654619 0.974483 0.679227 Mn\n0.902565 0.612329 0.872622 Mn\n0.035393 0.254674 0.476706 P\n0.576274 0.741905 0.271031 P\n0.262917 0.755065 0.955359 P\n0.745859 0.242622 0.051454 P\n0.433257 0.255651 0.735089 P\n0.973539 0.743293 0.529930 P\n0.204188 0.884542 0.152574 O\n0.204032 0.575581 0.976188 O\n0.012891 0.586758 0.359974 O\n0.145889 0.881969 0.545531 O\n0.148049 0.293904 0.288205 O\n0.532627 0.851104 0.207492 O\n0.168259 0.753218 0.842578 O\n0.474895 0.555564 0.201999 O\n0.160717 0.193445 0.506442 O\n0.519930 0.805846 0.485412 O\n0.784194 0.751146 0.172057 O\n0.470442 0.790126 0.849264 O\n0.538420 0.207459 0.157858 O\n0.225339 0.246359 0.834437 O\n0.489415 0.191159 0.520771 O\n0.848449 0.805274 0.500660 O\n0.534446 0.442155 0.803605 O\n0.841217 0.245732 0.164235 O\n0.477190 0.147004 0.798976 O\n0.860675 0.703714 0.718142 O\n0.863204 0.115592 0.461200 O\n0.995411 0.411383 0.646273 O\n0.804273 0.421675 0.029656 O\n0.804366 0.112470 0.854735 O\n","nsites":44,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.7210134233560748,"density_atomic":0.08393555710650762,"volume":524.2116871181001,"volume_molar":7.174719472414268,"formula_full":"Li10 Mn4 P6 O24","formula_reduced":"Li5Mn2(PO4)3","formula_anonymous":"A2B3C5D12","energy":-321.08070598,"energy_per_atom":-7.2972887722727275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-297.92070598,"band_gap":3.673,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9992268,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.368000Z","spacegroup":2},{"id":"mp-4785","created_at":"2022-09-04T14:45:35.974487Z","structure_string":"Ce1 Al3 Pd2\n1.0\n2.722948 -4.716283 0.000000\n2.722948 4.716283 0.000000\n0.000000 0.000000 4.257023\nCe Al Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n","nsites":6,"nelements":3,"elements":["Ce","Al","Pd"],"chemical_system":"Al-Ce-Pd","density":6.589677595691636,"density_atomic":0.05487519207801132,"volume":109.33902502738064,"volume_molar":10.97424998793415,"formula_full":"Ce1 Al3 Pd2","formula_reduced":"CeAl3Pd2","formula_anonymous":"AB2C3","energy":-32.45228058,"energy_per_atom":-5.40871343,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.45228058,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3573576,"is_theoretical":false,"updated_at":"2021-11-28T01:37:02.638000Z","spacegroup":191},{"id":"mp-1105394","created_at":"2022-09-04T14:45:35.983981Z","structure_string":"Sr4 Ho2 Mo2 O12\n1.0\n5.835543 0.000000 -0.037956\n0.000000 5.886056 0.000000\n-0.021582 0.000000 8.333324\nSr Ho Mo O\n4 2 2 12\ndirect\n0.495278 0.533617 0.251858 Sr\n0.995278 0.966383 0.751858 Sr\n0.504722 0.466383 0.748142 Sr\n0.004722 0.033617 0.248142 Sr\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.000000 Ho\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.230698 0.805778 0.464378 O\n0.730698 0.694222 0.964378 O\n0.769302 0.194222 0.535622 O\n0.269302 0.305778 0.035622 O\n0.199030 0.778408 0.043036 O\n0.699030 0.721592 0.543036 O\n0.800970 0.221592 0.956964 O\n0.300970 0.278408 0.456964 O\n0.576865 0.980671 0.262406 O\n0.076865 0.519329 0.762406 O\n0.423135 0.019329 0.737594 O\n0.923135 0.480671 0.237594 O\n","nsites":20,"nelements":4,"elements":["Sr","Ho","Mo","O"],"chemical_system":"Ho-Mo-O-Sr","density":6.173923185895629,"density_atomic":0.06987364203883728,"volume":286.2309651597031,"volume_molar":8.61861581031194,"formula_full":"Sr4 Ho2 Mo2 O12","formula_reduced":"Sr2HoMoO6","formula_anonymous":"ABC2D6","energy":-159.08349441,"energy_per_atom":-7.954174720499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.43549441,"band_gap":1.332,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.999982,"is_theoretical":false,"updated_at":"2021-11-28T01:37:10.173000Z","spacegroup":14},{"id":"mp-1041735","created_at":"2022-09-04T14:45:36.096544Z","structure_string":"V12 Zn6 Cu6 O42\n1.0\n8.329245 0.000000 0.000000\n0.000000 10.197382 0.000000\n0.000000 0.702539 10.828957\nV Zn Cu O\n12 6 6 42\ndirect\n0.222246 0.282643 0.840645 V\n0.737236 0.380384 0.830566 V\n0.262764 0.880384 0.830566 V\n0.777754 0.782643 0.840645 V\n0.279527 0.955798 0.526352 V\n0.737236 0.119616 0.169434 V\n0.720473 0.455798 0.526352 V\n0.262764 0.619616 0.169434 V\n0.279527 0.544202 0.473648 V\n0.720473 0.044202 0.473648 V\n0.777754 0.717357 0.159355 V\n0.222246 0.217357 0.159355 V\n0.430674 0.574862 0.873337 Zn\n0.932849 0.750000 0.500000 Zn\n0.430674 0.925138 0.126663 Zn\n0.067151 0.250000 0.500000 Zn\n0.569326 0.425138 0.126663 Zn\n0.569326 0.074862 0.873337 Zn\n0.926946 0.413922 0.195916 Cu\n0.073054 0.586078 0.804084 Cu\n0.432020 0.250000 0.500000 Cu\n0.926946 0.086078 0.804084 Cu\n0.567980 0.750000 0.500000 Cu\n0.073054 0.913922 0.195916 Cu\n0.749233 0.955874 0.812778 O\n0.758448 0.291765 0.164699 O\n0.835820 0.750000 0.000000 O\n0.901063 0.113912 0.490597 O\n0.401808 0.572969 0.061302 O\n0.921715 0.719715 0.744806 O\n0.344141 0.933530 0.685266 O\n0.098937 0.613912 0.490597 O\n0.742156 0.873229 0.513004 O\n0.401808 0.927031 0.938698 O\n0.742156 0.626771 0.486996 O\n0.419617 0.880992 0.439228 O\n0.916035 0.043295 0.151838 O\n0.078285 0.219715 0.744806 O\n0.655859 0.066470 0.314734 O\n0.344141 0.566470 0.314734 O\n0.921715 0.780285 0.255194 O\n0.598192 0.427031 0.938698 O\n0.250767 0.455874 0.812778 O\n0.580383 0.119008 0.560772 O\n0.397874 0.296357 0.179631 O\n0.257844 0.126771 0.486996 O\n0.083965 0.543295 0.151838 O\n0.257844 0.373229 0.513004 O\n0.901063 0.386088 0.509403 O\n0.580383 0.380992 0.439228 O\n0.098937 0.886088 0.509403 O\n0.602126 0.796357 0.179631 O\n0.602126 0.703643 0.820369 O\n0.083965 0.956705 0.848162 O\n0.078285 0.280285 0.255194 O\n0.749233 0.544126 0.187222 O\n0.164180 0.250000 0.000000 O\n0.241552 0.791765 0.164699 O\n0.598192 0.072969 0.061302 O\n0.916035 0.456705 0.848162 O\n0.250767 0.044126 0.187222 O\n0.758448 0.208235 0.835301 O\n0.419617 0.619008 0.560772 O\n0.655859 0.433530 0.685266 O\n0.241552 0.708235 0.835301 O\n0.397874 0.203643 0.820369 O\n","nsites":66,"nelements":4,"elements":["V","Zn","Cu","O"],"chemical_system":"Cu-O-V-Zn","density":3.713667575407009,"density_atomic":0.07175678643980049,"volume":919.7736308240326,"volume_molar":8.392433745694847,"formula_full":"V12 Zn6 Cu6 O42","formula_reduced":"V2ZnCuO7","formula_anonymous":"ABC2D7","energy":-479.02879798,"energy_per_atom":-7.25801209060606,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-429.77479798,"band_gap":0.0896,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9975285,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.631000Z","spacegroup":13},{"id":"mp-1183020","created_at":"2022-09-04T14:45:36.201348Z","structure_string":"Al2 Si2 O11\n1.0\n2.539057 4.530185 -0.837679\n-2.539057 4.530185 0.837679\n-1.246051 0.000000 11.924275\nAl Si O\n2 2 11\ndirect\n0.000656 0.674900 0.076085 Al\n0.325100 0.999344 0.076085 Al\n0.944558 0.695715 0.554114 Si\n0.304285 0.055442 0.554114 Si\n0.290677 0.342004 0.070949 O\n0.657996 0.709323 0.070949 O\n0.098177 0.901823 0.131670 O\n0.755758 0.776443 0.408784 O\n0.223557 0.244242 0.408784 O\n0.108729 0.142564 0.893256 O\n0.857436 0.891271 0.893256 O\n0.920910 0.079090 0.832165 O\n0.135158 0.864842 0.569552 O\n0.685308 0.811304 0.620618 O\n0.188696 0.314692 0.620618 O\n","nsites":15,"nelements":3,"elements":["Al","Si","O"],"chemical_system":"Al-O-Si","density":1.79388641817804,"density_atomic":0.05663403927772273,"volume":264.85838183716345,"volume_molar":10.63342971259484,"formula_full":"Al2 Si2 O11","formula_reduced":"Al2Si2O11","formula_anonymous":"A2B2C11","energy":-97.21372896,"energy_per_atom":-6.480915264,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.21372896,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6712803,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.857000Z","spacegroup":8},{"id":"mp-1078718","created_at":"2022-09-04T14:45:36.286824Z","structure_string":"Tb4 In2 Ni4\n1.0\n7.432184 0.000000 0.000000\n0.000000 7.432184 0.000000\n0.000000 0.000000 3.650334\nTb In Ni\n4 2 4\ndirect\n0.675387 0.175387 0.500000 Tb\n0.324613 0.824613 0.500000 Tb\n0.175387 0.324613 0.500000 Tb\n0.824613 0.675387 0.500000 Tb\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.117445 0.617445 0.000000 Ni\n0.882555 0.382555 0.000000 Ni\n0.617445 0.882555 0.000000 Ni\n0.382555 0.117445 0.000000 Ni\n","nsites":10,"nelements":3,"elements":["Tb","In","Ni"],"chemical_system":"In-Ni-Tb","density":9.059830969372545,"density_atomic":0.049594611251249504,"volume":201.63480966388371,"volume_molar":12.142732059117161,"formula_full":"Tb4 In2 Ni4","formula_reduced":"Tb2InNi2","formula_anonymous":"AB2C2","energy":-52.22130356,"energy_per_atom":-5.222130356,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.22130356,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.72e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:07.939000Z","spacegroup":127},{"id":"mp-971751","created_at":"2022-09-04T14:45:37.535267Z","structure_string":"V2 Rh2\n1.0\n2.919575 -3.356217 0.000000\n2.919575 3.356217 0.000000\n0.000000 0.000000 2.796386\nV Rh\n2 2\ndirect\n0.296404 0.296404 0.000000 V\n0.703596 0.703596 0.000000 V\n0.214298 0.785702 0.500000 Rh\n0.785702 0.214298 0.500000 Rh\n","nsites":4,"nelements":2,"elements":["V","Rh"],"chemical_system":"Rh-V","density":9.323336114622757,"density_atomic":0.07298997374593298,"volume":54.80204738699308,"volume_molar":8.250641082516562,"formula_full":"V2 Rh2","formula_reduced":"VRh","formula_anonymous":"AB","energy":-34.44107611,"energy_per_atom":-8.6102690275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.44107611,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0121529,"is_theoretical":false,"updated_at":"2021-11-28T01:37:03.954000Z","spacegroup":65},{"id":"mp-802450","created_at":"2022-09-04T14:45:35.987824Z","structure_string":"Li4 Mn4 Si8 O22\n1.0\n8.919241 0.000000 0.000000\n-1.251845 7.485330 0.000000\n-1.341684 -2.020641 6.616521\nLi Mn Si O\n4 4 8 22\ndirect\n0.609658 0.196791 0.793648 Li\n0.142148 0.148462 0.752261 Li\n0.857852 0.851538 0.247739 Li\n0.390342 0.803209 0.206352 Li\n0.881829 0.388424 0.624327 Mn\n0.370482 0.397494 0.618178 Mn\n0.629518 0.602506 0.381822 Mn\n0.118171 0.611576 0.375673 Mn\n0.240033 0.033263 0.388617 Si\n0.957935 0.231197 0.223801 Si\n0.520323 0.223688 0.221925 Si\n0.767724 0.598486 0.973261 Si\n0.232276 0.401514 0.026739 Si\n0.479677 0.776312 0.778075 Si\n0.042065 0.768803 0.776199 Si\n0.759967 0.966737 0.611383 Si\n0.816204 0.150914 0.621588 O\n0.398294 0.060428 0.258693 O\n0.322708 0.151575 0.593715 O\n0.025508 0.068504 0.260402 O\n0.709857 0.182017 0.151586 O\n0.381544 0.273928 0.040448 O\n0.678198 0.437675 0.812036 O\n0.580912 0.364546 0.407023 O\n0.184651 0.414565 0.810650 O\n0.022728 0.292700 0.049634 O\n0.059722 0.368883 0.412396 O\n0.940278 0.631117 0.587604 O\n0.977272 0.707300 0.950366 O\n0.815349 0.585435 0.189350 O\n0.419088 0.635454 0.592977 O\n0.321802 0.562325 0.187964 O\n0.618456 0.726072 0.959552 O\n0.290143 0.817983 0.848414 O\n0.974492 0.931496 0.739598 O\n0.677292 0.848425 0.406285 O\n0.601706 0.939572 0.741307 O\n0.183796 0.849086 0.378412 O\n","nsites":38,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":3.0981775413847092,"density_atomic":0.08602309246443215,"volume":441.7418499074746,"volume_molar":7.00060947296212,"formula_full":"Li4 Mn4 Si8 O22","formula_reduced":"Li2Mn2Si4O11","formula_anonymous":"A2B2C4D11","energy":-274.83795441,"energy_per_atom":-7.232577747631579,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.05195441,"band_gap":1.088,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9983734,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.618000Z","spacegroup":2},{"id":"mp-740739","created_at":"2022-09-04T14:45:36.096385Z","structure_string":"K12 Te4 P12 H24 O66\n1.0\n12.268200 -6.616432 0.000000\n12.268200 6.616432 0.000000\n8.699855 0.000000 10.890290\nK Te P H O\n12 4 12 24 66\ndirect\n0.813781 0.686219 0.250000 K\n0.250000 0.813781 0.686219 K\n0.686219 0.250000 0.813781 K\n0.750000 0.186219 0.313781 K\n0.313781 0.750000 0.186219 K\n0.186219 0.313781 0.750000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.361009 0.361009 0.361009 Te\n0.861009 0.861009 0.861009 Te\n0.638991 0.638991 0.638991 Te\n0.138991 0.138991 0.138991 Te\n0.173253 0.757552 0.022360 P\n0.022360 0.173253 0.757552 P\n0.757552 0.022360 0.173253 P\n0.522360 0.257552 0.673253 P\n0.673253 0.522360 0.257552 P\n0.257552 0.673253 0.522360 P\n0.826747 0.242448 0.977640 P\n0.977640 0.826747 0.242448 P\n0.242448 0.977640 0.826747 P\n0.477640 0.742448 0.326747 P\n0.326747 0.477640 0.742448 P\n0.742448 0.326747 0.477640 P\n0.219658 0.241875 0.538027 H\n0.538027 0.219658 0.241875 H\n0.241875 0.538027 0.219658 H\n0.038027 0.741875 0.719658 H\n0.719658 0.038027 0.741875 H\n0.741875 0.719658 0.038027 H\n0.780342 0.758125 0.461973 H\n0.461973 0.780342 0.758125 H\n0.758125 0.461973 0.780342 H\n0.961973 0.258125 0.280342 H\n0.280342 0.961973 0.258125 H\n0.258125 0.280342 0.961973 H\n0.489416 0.536691 0.737777 H\n0.737777 0.489416 0.536691 H\n0.536691 0.737777 0.489416 H\n0.237777 0.036691 0.989416 H\n0.989416 0.237777 0.036691 H\n0.036691 0.989416 0.237777 H\n0.510584 0.463309 0.262223 H\n0.262223 0.510584 0.463309 H\n0.463309 0.262223 0.510584 H\n0.762223 0.963309 0.010584 H\n0.010584 0.762223 0.963309 H\n0.963309 0.010584 0.762223 H\n0.036016 0.271675 0.204258 O\n0.204258 0.036016 0.271675 O\n0.271675 0.204258 0.036016 O\n0.704258 0.771675 0.536016 O\n0.536016 0.704258 0.771675 O\n0.771675 0.536016 0.704258 O\n0.963984 0.728325 0.795742 O\n0.795742 0.963984 0.728325 O\n0.728325 0.795742 0.963984 O\n0.295742 0.228325 0.463984 O\n0.463984 0.295742 0.228325 O\n0.228325 0.463984 0.295742 O\n0.256079 0.429494 0.492597 O\n0.492597 0.256079 0.429494 O\n0.429494 0.492597 0.256079 O\n0.992597 0.929494 0.756079 O\n0.756079 0.992597 0.929494 O\n0.929494 0.756079 0.992597 O\n0.743921 0.570506 0.507403 O\n0.507403 0.743921 0.570506 O\n0.570506 0.507403 0.743921 O\n0.007403 0.070506 0.243921 O\n0.243921 0.007403 0.070506 O\n0.070506 0.243921 0.007403 O\n0.087427 0.262888 0.655497 O\n0.655497 0.087427 0.262888 O\n0.262888 0.655497 0.087427 O\n0.155497 0.762888 0.587427 O\n0.587427 0.155497 0.762888 O\n0.762888 0.587427 0.155497 O\n0.912573 0.737112 0.344503 O\n0.344503 0.912573 0.737112 O\n0.737112 0.344503 0.912573 O\n0.844503 0.237112 0.412573 O\n0.412573 0.844503 0.237112 O\n0.237112 0.412573 0.844503 O\n0.755444 0.341667 0.567656 O\n0.567656 0.755444 0.341667 O\n0.341667 0.567656 0.755444 O\n0.067656 0.841667 0.255444 O\n0.255444 0.067656 0.841667 O\n0.841667 0.255444 0.067656 O\n0.244556 0.658333 0.432344 O\n0.432344 0.244556 0.658333 O\n0.658333 0.432344 0.244556 O\n0.932344 0.158333 0.744556 O\n0.744556 0.932344 0.158333 O\n0.158333 0.744556 0.932344 O\n0.706469 0.463544 0.378159 O\n0.378159 0.706469 0.463544 O\n0.463544 0.378159 0.706469 O\n0.878159 0.963544 0.206469 O\n0.206469 0.878159 0.963544 O\n0.963544 0.206469 0.878159 O\n0.293531 0.536456 0.621841 O\n0.621841 0.293531 0.536456 O\n0.536456 0.621841 0.293531 O\n0.121841 0.036456 0.793531 O\n0.793531 0.121841 0.036456 O\n0.036456 0.793531 0.121841 O\n0.038927 0.461073 0.250000 O\n0.250000 0.038927 0.461073 O\n0.461073 0.250000 0.038927 O\n0.750000 0.961073 0.538927 O\n0.538927 0.750000 0.961073 O\n0.961073 0.538927 0.750000 O\n","nsites":118,"nelements":5,"elements":["K","Te","P","H","O"],"chemical_system":"H-K-O-P-Te","density":2.2836743478477883,"density_atomic":0.06674332924125083,"volume":1767.966946531488,"volume_molar":9.02283543308476,"formula_full":"K12 Te4 P12 H24 O66","formula_reduced":"K6Te2P6(H4O11)3","formula_anonymous":"A2B6C6D12E33","energy":-713.86072496,"energy_per_atom":-6.0496671606779655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-668.51872496,"band_gap":0.456,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.1128316,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.671000Z","spacegroup":167},{"id":"mp-690535","created_at":"2022-09-04T14:45:36.242212Z","structure_string":"Na1 W2 O6\n1.0\n-2.764080 2.764574 3.909278\n2.764080 -2.764574 3.909278\n2.764080 2.764574 -3.909278\nNa W O\n1 2 6\ndirect\n0.000000 0.999962 0.999962 Na\n0.252354 0.757708 0.505354 W\n0.747646 0.252999 0.505354 W\n0.999784 0.006114 0.505121 O\n0.499007 0.505336 0.505121 O\n0.500000 0.009433 0.509433 O\n0.500993 0.006114 0.006330 O\n0.000000 0.497961 0.497961 O\n0.000216 0.505336 0.006330 O\n","nsites":9,"nelements":3,"elements":["Na","W","O"],"chemical_system":"Na-O-W","density":6.763085533631898,"density_atomic":0.07531944909341702,"volume":119.49104923533764,"volume_molar":7.995465756169929,"formula_full":"Na1 W2 O6","formula_reduced":"Na(WO3)2","formula_anonymous":"AB2C6","energy":-76.51743027,"energy_per_atom":-8.501936696666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.51943027,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999973,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.783000Z","spacegroup":44},{"id":"mp-1093896","created_at":"2022-09-04T14:45:36.250654Z","structure_string":"Cs2 Au1 I1\n1.0\n-6.683207 6.934857 9.457862\n6.683207 -6.934857 9.457862\n6.683207 6.934857 -9.457862\nCs Au I\n2 1 1\ndirect\n0.258567 0.000000 0.258567 Cs\n0.741433 0.000000 0.741433 Cs\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 I\n","nsites":4,"nelements":3,"elements":["Cs","Au","I"],"chemical_system":"Au-Cs-I","density":0.5584593150353568,"density_atomic":0.0022813115755718374,"volume":1753.377330318132,"volume_molar":263.97712721422016,"formula_full":"Cs2 Au1 I1","formula_reduced":"Cs2AuI","formula_anonymous":"ABC2","energy":-9.1244127,"energy_per_atom":-2.281103175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.7454127,"band_gap":3.1726,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.12e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.703000Z","spacegroup":71},{"id":"mp-1094010","created_at":"2022-09-04T14:45:36.282728Z","structure_string":"Zn2 Ga8 S14\n1.0\n6.149636 0.000000 0.000000\n0.000000 6.521981 0.000000\n0.000000 0.000000 15.388650\nZn Ga S\n2 8 14\ndirect\n0.423408 0.665809 0.500000 Zn\n0.923408 0.334191 0.000000 Zn\n0.600658 0.140316 0.873224 Ga\n0.600658 0.140316 0.126776 Ga\n0.100658 0.859684 0.626776 Ga\n0.100658 0.859684 0.373224 Ga\n0.599589 0.665050 0.756972 Ga\n0.599589 0.665050 0.243028 Ga\n0.099589 0.334950 0.743028 Ga\n0.099589 0.334950 0.256972 Ga\n0.484092 0.822788 0.630005 S\n0.484092 0.822788 0.369995 S\n0.984092 0.177212 0.869995 S\n0.984092 0.177212 0.130005 S\n0.482096 0.818087 0.877789 S\n0.482096 0.818087 0.122211 S\n0.982096 0.181913 0.622211 S\n0.982096 0.181913 0.377789 S\n0.481972 0.326472 0.751083 S\n0.481972 0.326472 0.248917 S\n0.981972 0.673528 0.748917 S\n0.981972 0.673528 0.251083 S\n0.035776 0.669035 0.500000 S\n0.535776 0.330965 0.000000 S\n","nsites":24,"nelements":3,"elements":["Zn","Ga","S"],"chemical_system":"Ga-S-Zn","density":3.060381883973888,"density_atomic":0.03888497104068621,"volume":617.2050372594663,"volume_molar":15.48706505065646,"formula_full":"Zn2 Ga8 S14","formula_reduced":"ZnGa4S7","formula_anonymous":"AB4C7","energy":-106.00092447,"energy_per_atom":-4.41670518625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.95892447,"band_gap":2.1138000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.14e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.598000Z","spacegroup":31}]}