{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=12135","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=12133","results":[{"id":"mp-1219061","created_at":"2022-09-04T14:48:14.448855Z","structure_string":"Sn2 Ge5 Sb2 Te10\n1.0\n-3.037164 -3.037164 0.000000\n0.000000 3.037164 -3.037164\n19.826950 -22.864114 -22.864114\nSn Ge Sb Te\n2 5 2 10\ndirect\n0.907023 0.953512 0.139465 Sn\n0.502927 0.251463 0.245610 Sn\n0.294955 0.147477 0.557568 Ge\n0.895980 0.447990 0.656030 Ge\n0.496023 0.748012 0.755965 Ge\n0.095795 0.047897 0.856308 Ge\n0.694820 0.347410 0.957770 Ge\n0.100241 0.550121 0.349638 Sb\n0.696603 0.848301 0.455096 Sb\n0.404165 0.702083 0.893752 Te\n0.204255 0.102128 0.693617 Te\n0.804317 0.402158 0.793525 Te\n0.999404 0.499702 0.500894 Te\n0.603204 0.801602 0.595195 Te\n0.398816 0.199408 0.401775 Te\n0.198366 0.599183 0.202451 Te\n0.797474 0.898737 0.303789 Te\n0.003587 0.001794 0.994619 Te\n0.602045 0.301023 0.096932 Te\n","nsites":19,"nelements":4,"elements":["Sn","Ge","Sb","Te"],"chemical_system":"Ge-Sb-Sn-Te","density":5.821972495264029,"density_atomic":0.03142028449580917,"volume":604.7049001906464,"volume_molar":19.166410669525387,"formula_full":"Sn2 Ge5 Sb2 Te10","formula_reduced":"Sn2Ge5(SbTe5)2","formula_anonymous":"A2B2C5D10","energy":-77.4080231,"energy_per_atom":-4.074106478947368,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.1880231,"band_gap":0.2489999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009675,"is_theoretical":true,"updated_at":"2021-11-28T01:38:36.123000Z","spacegroup":160},{"id":"mp-1191883","created_at":"2022-09-04T14:48:14.449377Z","structure_string":"Li12 Tl12\n1.0\n6.349505 5.345645 0.000000\n-6.349505 5.345645 0.000000\n0.000000 0.000000 8.132987\nLi Tl\n12 12\ndirect\n0.096086 0.596086 0.750000 Li\n0.403914 0.903914 0.250000 Li\n0.903914 0.403914 0.250000 Li\n0.596086 0.096086 0.750000 Li\n0.656629 0.343371 0.500000 Li\n0.156629 0.843371 0.000000 Li\n0.343371 0.656629 0.500000 Li\n0.843371 0.156629 0.000000 Li\n0.318982 0.318982 0.393136 Li\n0.681018 0.681018 0.606864 Li\n0.181018 0.181018 0.893136 Li\n0.818982 0.818982 0.106864 Li\n0.004521 0.287967 0.589290 Tl\n0.712033 0.995479 0.410710 Tl\n0.212033 0.495479 0.089290 Tl\n0.504521 0.787967 0.910710 Tl\n0.995479 0.712033 0.410710 Tl\n0.287967 0.004521 0.589290 Tl\n0.787967 0.504521 0.910710 Tl\n0.495479 0.212033 0.089290 Tl\n0.919703 0.919703 0.759794 Tl\n0.080297 0.080297 0.240206 Tl\n0.580297 0.580297 0.259794 Tl\n0.419703 0.419703 0.740206 Tl\n","nsites":24,"nelements":2,"elements":["Li","Tl"],"chemical_system":"Li-Tl","density":7.62710499704962,"density_atomic":0.043470154543897827,"volume":552.1029371028318,"volume_molar":13.8535066718445,"formula_full":"Li12 Tl12","formula_reduced":"LiTl","formula_anonymous":"AB","energy":-54.59077153,"energy_per_atom":-2.2746154804166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.59077153,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004501,"is_theoretical":false,"updated_at":"2021-11-28T01:38:33.816000Z","spacegroup":64},{"id":"mp-1222224","created_at":"2022-09-04T14:48:14.454160Z","structure_string":"Mg1 Ti1 Nb2 Pb4 O12\n1.0\n5.779010 0.000000 0.000000\n0.000000 5.876676 0.000000\n0.000000 0.000000 8.038076\nMg Ti Nb Pb O\n1 1 2 4 12\ndirect\n0.000000 0.491636 0.000000 Mg\n0.500000 0.015222 0.500000 Ti\n0.500000 0.986587 0.000000 Nb\n0.000000 0.513832 0.500000 Nb\n0.000000 0.041622 0.757968 Pb\n0.500000 0.532640 0.768031 Pb\n0.000000 0.041622 0.242032 Pb\n0.500000 0.532640 0.231969 Pb\n0.000000 0.444468 0.740572 O\n0.500000 0.963080 0.745479 O\n0.000000 0.444468 0.259428 O\n0.500000 0.963080 0.254521 O\n0.731567 0.718595 0.000000 O\n0.248286 0.210097 0.000000 O\n0.745604 0.717380 0.500000 O\n0.251818 0.209433 0.500000 O\n0.268433 0.718595 0.000000 O\n0.751714 0.210097 0.000000 O\n0.254396 0.717380 0.500000 O\n0.748182 0.209433 0.500000 O\n","nsites":20,"nelements":5,"elements":["Mg","Ti","Nb","Pb","O"],"chemical_system":"Mg-Nb-O-Pb-Ti","density":7.7786960642558665,"density_atomic":0.0732643488745537,"volume":272.9840680662411,"volume_molar":8.219742415661624,"formula_full":"Mg1 Ti1 Nb2 Pb4 O12","formula_reduced":"MgTiNb2(PbO3)4","formula_anonymous":"ABC2D4E12","energy":-154.24926417,"energy_per_atom":-7.7124632085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.00526417,"band_gap":2.4839,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6.41e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:48.316000Z","spacegroup":25},{"id":"mp-559349","created_at":"2022-09-04T14:48:19.760619Z","structure_string":"Sb8 Cl4 F68\n1.0\n8.579119 0.000000 0.000000\n0.000000 12.026016 0.000000\n0.000000 10.360812 12.174800\nSb Cl F\n8 4 68\ndirect\n0.524530 0.535449 0.155494 Sb\n0.975470 0.535449 0.655494 Sb\n0.475470 0.464551 0.844506 Sb\n0.024530 0.464551 0.344506 Sb\n0.508387 0.919726 0.855720 Sb\n0.991613 0.919726 0.355720 Sb\n0.491613 0.080274 0.144280 Sb\n0.008387 0.080274 0.644280 Sb\n0.500000 0.500000 0.500000 Cl\n0.000000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.301232 0.934355 0.890523 F\n0.198768 0.934355 0.390523 F\n0.698768 0.065645 0.109477 F\n0.801232 0.065645 0.609477 F\n0.532279 0.120567 0.731651 F\n0.967721 0.120567 0.231651 F\n0.467721 0.879433 0.268349 F\n0.032279 0.879433 0.768349 F\n0.479250 0.698552 0.989419 F\n0.020750 0.698552 0.489419 F\n0.520750 0.301448 0.010581 F\n0.979250 0.301448 0.510581 F\n0.712168 0.862019 0.848589 F\n0.787832 0.862019 0.348589 F\n0.287832 0.137981 0.151411 F\n0.212168 0.137981 0.651411 F\n0.430119 0.872650 0.770888 F\n0.069881 0.872650 0.270888 F\n0.569881 0.127350 0.229112 F\n0.930119 0.127350 0.729112 F\n0.558970 0.385296 0.308557 F\n0.941030 0.385296 0.808557 F\n0.441030 0.614704 0.691443 F\n0.058970 0.614704 0.191443 F\n0.587273 0.939820 0.956527 F\n0.912727 0.939820 0.456527 F\n0.412727 0.060180 0.043473 F\n0.087273 0.060180 0.543473 F\n0.637357 0.618568 0.453818 F\n0.862643 0.618568 0.953818 F\n0.362643 0.381432 0.546182 F\n0.137357 0.381432 0.046182 F\n0.529841 0.440814 0.622694 F\n0.970159 0.440814 0.122694 F\n0.470159 0.559186 0.377306 F\n0.029841 0.559186 0.877306 F\n0.624101 0.383215 0.521345 F\n0.875899 0.383215 0.021345 F\n0.375899 0.616785 0.478655 F\n0.124101 0.616785 0.978655 F\n0.518198 0.906001 0.461562 F\n0.981802 0.906001 0.961562 F\n0.481802 0.093999 0.538438 F\n0.018198 0.093999 0.038438 F\n0.609019 0.885315 0.604167 F\n0.890981 0.885315 0.104167 F\n0.390981 0.114685 0.395833 F\n0.109019 0.114685 0.895833 F\n0.650710 0.093551 0.429484 F\n0.849290 0.093551 0.929484 F\n0.349290 0.906449 0.570516 F\n0.150710 0.906449 0.070516 F\n0.714400 0.636154 0.128345 F\n0.785600 0.636154 0.628345 F\n0.285600 0.363846 0.871655 F\n0.214400 0.363846 0.371655 F\n0.331930 0.456177 0.156034 F\n0.168070 0.456177 0.656034 F\n0.668070 0.543823 0.843966 F\n0.831930 0.543823 0.343966 F\n0.417777 0.657189 0.174376 F\n0.082223 0.657189 0.674376 F\n0.582223 0.342811 0.825624 F\n0.917777 0.342811 0.325624 F\n0.627435 0.437772 0.113838 F\n0.872565 0.437772 0.613838 F\n0.372565 0.562228 0.886162 F\n0.127435 0.562228 0.386162 F\n","nsites":80,"nelements":3,"elements":["Sb","Cl","F"],"chemical_system":"Cl-F-Sb","density":3.1830261879951354,"density_atomic":0.06368889033251626,"volume":1256.1060427073594,"volume_molar":9.455559248337861,"formula_full":"Sb8 Cl4 F68","formula_reduced":"Sb2ClF17","formula_anonymous":"AB2C17","energy":-322.32686998,"energy_per_atom":-4.029085874750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-290.91086998,"band_gap":0.3279999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004171,"is_theoretical":false,"updated_at":"2021-11-28T01:38:46.151000Z","spacegroup":14},{"id":"mp-4092","created_at":"2022-09-04T14:48:14.469174Z","structure_string":"Sr4 Se4 O16\n1.0\n7.480980 0.000000 0.000000\n0.000000 6.974880 0.000000\n0.000000 5.247592 7.042330\nSr Se O\n4 4 16\ndirect\n0.655891 0.815487 0.281600 Sr\n0.155891 0.184513 0.218400 Sr\n0.344109 0.184513 0.718400 Sr\n0.844109 0.815487 0.781600 Sr\n0.663751 0.306588 0.306119 Se\n0.163751 0.693412 0.193881 Se\n0.336249 0.693412 0.693881 Se\n0.836249 0.306588 0.806119 Se\n0.714214 0.586787 0.124183 O\n0.214214 0.413213 0.375817 O\n0.285786 0.413213 0.875817 O\n0.785786 0.586787 0.624183 O\n0.606328 0.331426 0.478021 O\n0.106328 0.668574 0.021979 O\n0.393672 0.668574 0.521979 O\n0.893672 0.331426 0.978021 O\n0.994853 0.187011 0.752260 O\n0.494853 0.812989 0.747740 O\n0.005147 0.812989 0.247740 O\n0.505147 0.187011 0.252260 O\n0.662922 0.114835 0.886509 O\n0.162922 0.885165 0.613491 O\n0.337078 0.885165 0.113491 O\n0.837078 0.114835 0.386509 O\n","nsites":24,"nelements":3,"elements":["Sr","Se","O"],"chemical_system":"O-Se-Sr","density":4.167874155078137,"density_atomic":0.06531300050096923,"volume":367.461298913129,"volume_molar":9.220431941280408,"formula_full":"Sr4 Se4 O16","formula_reduced":"SrSeO4","formula_anonymous":"ABC4","energy":-151.5370633,"energy_per_atom":-6.314044304166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.5450633,"band_gap":3.5358,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005103,"is_theoretical":false,"updated_at":"2021-11-28T01:38:40.257000Z","spacegroup":14},{"id":"mp-29237","created_at":"2022-09-04T14:48:14.475416Z","structure_string":"Tl16 Sn8 Se24\n1.0\n8.281911 0.000000 0.000000\n0.000000 8.477780 0.000000\n0.000000 0.000000 21.658612\nTl Sn Se\n16 8 24\ndirect\n0.675642 0.986612 0.666804 Tl\n0.824358 0.486612 0.166804 Tl\n0.175642 0.513388 0.666804 Tl\n0.675642 0.986612 0.833196 Tl\n0.324358 0.013388 0.333196 Tl\n0.175642 0.513388 0.833196 Tl\n0.824358 0.486612 0.333196 Tl\n0.324358 0.013388 0.166804 Tl\n0.265245 0.948170 0.494609 Tl\n0.765245 0.551830 0.005391 Tl\n0.234755 0.448170 0.505391 Tl\n0.734755 0.051830 0.994609 Tl\n0.734755 0.051830 0.505391 Tl\n0.234755 0.448170 0.994609 Tl\n0.765245 0.551830 0.494609 Tl\n0.265245 0.948170 0.005391 Tl\n0.176227 0.009504 0.666661 Sn\n0.676227 0.490496 0.666661 Sn\n0.323773 0.509504 0.166661 Sn\n0.823773 0.990496 0.333339 Sn\n0.823773 0.990496 0.166661 Sn\n0.323773 0.509504 0.333339 Sn\n0.676227 0.490496 0.833339 Sn\n0.176227 0.009504 0.833339 Sn\n0.013722 0.835543 0.907329 Se\n0.513722 0.664457 0.592671 Se\n0.486278 0.335543 0.092671 Se\n0.986278 0.164457 0.407329 Se\n0.986278 0.164457 0.092671 Se\n0.486278 0.335543 0.407329 Se\n0.513722 0.664457 0.907329 Se\n0.013722 0.835543 0.592671 Se\n0.127134 0.680864 0.393382 Se\n0.627134 0.819136 0.106618 Se\n0.372866 0.180864 0.606618 Se\n0.872866 0.319136 0.893382 Se\n0.872866 0.319136 0.606618 Se\n0.372866 0.180864 0.893382 Se\n0.627134 0.819136 0.393382 Se\n0.333585 0.840046 0.750000 Se\n0.009156 0.164806 0.750000 Se\n0.509156 0.335194 0.750000 Se\n0.490844 0.664806 0.250000 Se\n0.990844 0.835194 0.250000 Se\n0.666415 0.159954 0.250000 Se\n0.166415 0.340046 0.250000 Se\n0.833585 0.659954 0.750000 Se\n0.127134 0.680864 0.106618 Se\n","nsites":48,"nelements":3,"elements":["Tl","Sn","Se"],"chemical_system":"Se-Sn-Tl","density":6.6771599785581275,"density_atomic":0.03156442734855298,"volume":1520.6992184574033,"volume_molar":19.078884889942653,"formula_full":"Tl16 Sn8 Se24","formula_reduced":"Tl2SnSe3","formula_anonymous":"AB2C3","energy":-184.33574969,"energy_per_atom":-3.8403281185416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.00774969,"band_gap":0.8713000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.092364,"is_theoretical":false,"updated_at":"2021-11-28T01:38:38.367000Z","spacegroup":62},{"id":"mp-568221","created_at":"2022-09-04T14:48:14.477456Z","structure_string":"Ta5 Sb4\n1.0\n-5.211004 5.211004 1.699243\n5.211004 -5.211004 1.699243\n5.211004 5.211004 -1.699243\nTa Sb\n5 4\ndirect\n0.348645 0.953906 0.302551 Ta\n0.046094 0.348645 0.394740 Ta\n0.953906 0.651355 0.605260 Ta\n0.651355 0.046094 0.697449 Ta\n0.000000 0.000000 0.000000 Ta\n0.364989 0.677411 0.042400 Sb\n0.677411 0.635011 0.312422 Sb\n0.635011 0.322589 0.957600 Sb\n0.322589 0.364989 0.687578 Sb\n","nsites":9,"nelements":2,"elements":["Ta","Sb"],"chemical_system":"Sb-Ta","density":12.521639830006611,"density_atomic":0.04876230375700577,"volume":184.5688022626895,"volume_molar":12.34999230145025,"formula_full":"Ta5 Sb4","formula_reduced":"Ta5Sb4","formula_anonymous":"A4B5","energy":-75.62680526,"energy_per_atom":-8.402978362222221,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.85880526,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0192277,"is_theoretical":false,"updated_at":"2021-11-28T01:38:50.830000Z","spacegroup":87},{"id":"mp-1211720","created_at":"2022-09-04T14:48:14.478948Z","structure_string":"K2 Rb1 Er1 V2 O8\n1.0\n2.999639 -5.195528 0.000000\n2.999639 5.195528 0.000000\n0.000000 0.000000 7.823712\nK Rb Er V O\n2 1 1 2 8\ndirect\n0.333333 0.666667 0.702010 K\n0.666667 0.333333 0.297990 K\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Er\n0.333333 0.666667 0.253215 V\n0.666667 0.333333 0.746785 V\n0.333333 0.666667 0.038106 O\n0.666667 0.333333 0.961894 O\n0.173325 0.826675 0.330071 O\n0.826675 0.173325 0.669929 O\n0.173325 0.346651 0.330071 O\n0.826675 0.653349 0.669929 O\n0.653349 0.826675 0.330071 O\n0.346651 0.173325 0.669929 O\n","nsites":14,"nelements":5,"elements":["K","Rb","Er","V","O"],"chemical_system":"Er-K-O-Rb-V","density":3.818711151844032,"density_atomic":0.057409862098444765,"volume":243.86054047635938,"volume_molar":10.489732146845096,"formula_full":"K2 Rb1 Er1 V2 O8","formula_reduced":"K2RbErV2O8","formula_anonymous":"ABC2D2E8","energy":-103.92106351,"energy_per_atom":-7.422933107857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.02506351,"band_gap":3.4178,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0352235,"is_theoretical":true,"updated_at":"2021-11-28T01:38:40.397000Z","spacegroup":164},{"id":"mp-23536","created_at":"2022-09-04T14:48:20.789642Z","structure_string":"Sb1 I3 Cl8\n1.0\n7.577203 0.000000 0.000000\n-1.508949 7.687966 0.000000\n-0.510724 -0.750938 8.074302\nSb I Cl\n1 3 8\ndirect\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 I\n0.678538 0.762203 0.836696 I\n0.321462 0.237797 0.163304 I\n0.730854 0.307002 0.559171 Cl\n0.269146 0.692998 0.440829 Cl\n0.509629 0.763743 0.074831 Cl\n0.490371 0.236257 0.925169 Cl\n0.849956 0.757072 0.538827 Cl\n0.150044 0.242928 0.461173 Cl\n0.896184 0.467505 0.214453 Cl\n0.103816 0.532495 0.785547 Cl\n","nsites":12,"nelements":3,"elements":["Sb","I","Cl"],"chemical_system":"Cl-I-Sb","density":2.7752371291503106,"density_atomic":0.025512668166501773,"volume":470.35456745194705,"volume_molar":23.604511769204496,"formula_full":"Sb1 I3 Cl8","formula_reduced":"SbI3Cl8","formula_anonymous":"AB3C8","energy":-33.41466338,"energy_per_atom":-2.7845552816666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.50266338,"band_gap":1.2101,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012472,"is_theoretical":false,"updated_at":"2021-11-28T01:38:50.026000Z","spacegroup":2},{"id":"mp-30765","created_at":"2022-09-04T14:48:20.880564Z","structure_string":"Li1 Pt7\n1.0\n0.000000 3.934341 3.934341\n3.934341 0.000000 3.934341\n3.934341 3.934341 0.000000\nLi Pt\n1 7\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n","nsites":8,"nelements":2,"elements":["Li","Pt"],"chemical_system":"Li-Pt","density":18.712190711999263,"density_atomic":0.06568164107836937,"volume":121.79963637715201,"volume_molar":9.168681934750325,"formula_full":"Li1 Pt7","formula_reduced":"LiPt7","formula_anonymous":"AB7","energy":-46.1786405,"energy_per_atom":-5.7723300625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.1786405,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006617,"is_theoretical":false,"updated_at":"2021-11-28T01:39:26.998000Z","spacegroup":225},{"id":"mp-568477","created_at":"2022-09-04T14:48:14.496378Z","structure_string":"Rb8 Sb4 Br24\n1.0\n-5.491433 5.491433 11.123478\n5.491433 -5.491433 11.123478\n5.491433 5.491433 -11.123478\nRb Sb Br\n8 4 24\ndirect\n0.376807 0.359136 0.481600 Rb\n0.104793 0.623193 0.982328 Rb\n0.877536 0.895207 0.518400 Rb\n0.109136 0.127536 0.482328 Rb\n0.373193 0.890864 0.018400 Rb\n0.645207 0.626807 0.517672 Rb\n0.640864 0.122464 0.017672 Rb\n0.872464 0.354793 0.981600 Rb\n0.250000 0.750000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.007552 0.775656 0.283407 Br\n0.015983 0.253565 0.263190 Br\n0.275855 0.992448 0.768104 Br\n0.003565 0.240375 0.737582 Br\n0.129878 0.629878 0.500000 Br\n0.257751 0.525855 0.783407 Br\n0.492249 0.724145 0.716593 Br\n0.502793 0.265983 0.262418 Br\n0.474145 0.257552 0.731896 Br\n0.620122 0.620122 0.000000 Br\n0.525656 0.742249 0.268104 Br\n0.124165 0.124165 0.000000 Br\n0.875835 0.875835 0.000000 Br\n0.990375 0.752793 0.736810 Br\n0.746435 0.009625 0.762418 Br\n0.247207 0.984017 0.237582 Br\n0.742448 0.474344 0.216593 Br\n0.224344 0.507751 0.231896 Br\n0.370122 0.870122 0.500000 Br\n0.874165 0.374165 0.500000 Br\n0.379878 0.379878 0.000000 Br\n0.625835 0.125835 0.500000 Br\n0.759625 0.497207 0.763190 Br\n0.734017 0.996435 0.236810 Br\n","nsites":36,"nelements":3,"elements":["Rb","Sb","Br"],"chemical_system":"Br-Rb-Sb","density":3.8222729401207194,"density_atomic":0.02683060902592109,"volume":1341.7511307782968,"volume_molar":22.445039373433534,"formula_full":"Rb8 Sb4 Br24","formula_reduced":"Rb2SbBr6","formula_anonymous":"AB2C6","energy":-117.25279949,"energy_per_atom":-3.2570222080555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.66879949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002972,"is_theoretical":false,"updated_at":"2021-11-28T01:38:44.769000Z","spacegroup":88},{"id":"mp-757038","created_at":"2022-09-04T14:48:19.816863Z","structure_string":"Li4 Si4 Bi4 O16\n1.0\n5.249698 0.000000 0.000000\n0.000000 7.851193 0.000000\n0.000000 0.000000 8.657022\nLi Si Bi O\n4 4 4 16\ndirect\n0.974681 0.779183 0.081539 Li\n0.974681 0.279183 0.418461 Li\n0.474681 0.720817 0.581539 Li\n0.474681 0.220817 0.918461 Li\n0.986347 0.236515 0.079217 Si\n0.986347 0.736515 0.420783 Si\n0.486347 0.263485 0.579217 Si\n0.486347 0.763485 0.920783 Si\n0.452729 0.475380 0.271397 Bi\n0.452729 0.975380 0.228603 Bi\n0.952729 0.024620 0.771397 Bi\n0.952729 0.524620 0.728603 Bi\n0.345751 0.731464 0.091333 O\n0.259128 0.343311 0.080749 O\n0.071736 0.032834 0.081763 O\n0.792967 0.280380 0.221051 O\n0.792967 0.780380 0.278949 O\n0.071736 0.532834 0.418237 O\n0.259128 0.843311 0.419251 O\n0.345751 0.231464 0.408667 O\n0.845751 0.768536 0.591333 O\n0.759128 0.156689 0.580749 O\n0.571736 0.467166 0.581763 O\n0.292967 0.219620 0.721051 O\n0.292967 0.719620 0.778949 O\n0.571736 0.967166 0.918237 O\n0.759128 0.656689 0.919251 O\n0.845751 0.268536 0.908667 O\n","nsites":28,"nelements":4,"elements":["Li","Si","Bi","O"],"chemical_system":"Bi-Li-O-Si","density":5.733603484946471,"density_atomic":0.07847286998149237,"volume":356.8112139469823,"volume_molar":7.674169125482866,"formula_full":"Li4 Si4 Bi4 O16","formula_reduced":"LiSiBiO4","formula_anonymous":"ABCD4","energy":-194.57248958,"energy_per_atom":-6.949017485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.58048958,"band_gap":3.3313,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002711,"is_theoretical":true,"updated_at":"2021-11-28T01:38:54.049000Z","spacegroup":33}]}