{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=12167","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=12165","results":[{"id":"mp-1196285","created_at":"2022-09-04T14:48:19.266179Z","structure_string":"S12 N24 O24\n1.0\n6.404986 0.000000 0.000000\n0.000000 12.257434 0.000000\n0.000000 1.813446 14.577210\nS N O\n12 24 24\ndirect\n0.601719 0.743398 0.523838 S\n0.101719 0.256602 0.976162 S\n0.398281 0.256602 0.476162 S\n0.898281 0.743398 0.023838 S\n0.433777 0.886685 0.369719 S\n0.933777 0.113315 0.130281 S\n0.566223 0.113315 0.630281 S\n0.066223 0.886685 0.869719 S\n0.416856 0.651578 0.371029 S\n0.916856 0.348422 0.128971 S\n0.583144 0.348422 0.628971 S\n0.083144 0.651578 0.871029 S\n0.579946 0.864643 0.462289 N\n0.079946 0.135357 0.037711 N\n0.420054 0.135357 0.537711 N\n0.920054 0.864643 0.962289 N\n0.421404 0.776969 0.316047 N\n0.921404 0.223031 0.183953 N\n0.578596 0.223031 0.683953 N\n0.078596 0.776969 0.816047 N\n0.568115 0.642261 0.461909 N\n0.068115 0.357739 0.038091 N\n0.431885 0.357739 0.538091 N\n0.931885 0.642261 0.961909 N\n0.097931 0.916868 0.606476 N\n0.597931 0.083132 0.893524 N\n0.902069 0.083132 0.393524 N\n0.402069 0.916868 0.106476 N\n0.115189 0.547190 0.609754 N\n0.615189 0.452810 0.890246 N\n0.884811 0.452810 0.390246 N\n0.384811 0.547190 0.109754 N\n0.896521 0.783239 0.273925 N\n0.396521 0.216761 0.226075 N\n0.103479 0.216761 0.726075 N\n0.603479 0.783239 0.773925 N\n0.425694 0.738817 0.586470 O\n0.925694 0.261183 0.913530 O\n0.574306 0.261183 0.413530 O\n0.074306 0.738817 0.086470 O\n0.809710 0.734903 0.559067 O\n0.309710 0.265097 0.940933 O\n0.190290 0.265097 0.440933 O\n0.690290 0.734903 0.059067 O\n0.225679 0.902148 0.404733 O\n0.725679 0.097852 0.095267 O\n0.774321 0.097852 0.595267 O\n0.274321 0.902148 0.904733 O\n0.530766 0.971874 0.308811 O\n0.030766 0.028126 0.191189 O\n0.469234 0.028126 0.691189 O\n0.969234 0.971874 0.808811 O\n0.205444 0.634482 0.405540 O\n0.705444 0.365518 0.094460 O\n0.794556 0.365518 0.594460 O\n0.294556 0.634482 0.905540 O\n0.499493 0.579455 0.310311 O\n0.999493 0.420545 0.189689 O\n0.500507 0.420545 0.689689 O\n0.000507 0.579455 0.810311 O\n","nsites":60,"nelements":3,"elements":["S","N","O"],"chemical_system":"N-O-S","density":1.60320954257843,"density_atomic":0.052427493106431335,"volume":1144.437707105239,"volume_molar":11.48660827206567,"formula_full":"S12 N24 O24","formula_reduced":"S(NO)2","formula_anonymous":"AB2C2","energy":-338.63094451,"energy_per_atom":-5.643849075166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.47894451,"band_gap":0.3073000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.0125221,"is_theoretical":false,"updated_at":"2021-11-28T01:40:00.408000Z","spacegroup":14},{"id":"mp-1041593","created_at":"2022-09-04T14:48:31.647429Z","structure_string":"Ca2 Cu4 O8\n1.0\n-3.109620 3.163470 4.230313\n3.109620 -3.163470 4.230313\n3.109620 3.163470 -4.230313\nCa Cu O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.141427 0.891427 0.250000 Cu\n0.858573 0.108573 0.750000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.720408 0.216814 0.996406 O\n0.721388 0.229127 0.492262 O\n0.720408 0.724002 0.503594 O\n0.236865 0.229127 0.007738 O\n0.763135 0.770873 0.992262 O\n0.278612 0.770873 0.507738 O\n0.279592 0.275998 0.496406 O\n0.279592 0.783186 0.003594 O\n","nsites":14,"nelements":3,"elements":["Ca","Cu","O"],"chemical_system":"Ca-Cu-O","density":4.612140437331137,"density_atomic":0.08410552019256222,"volume":166.4575638786439,"volume_molar":7.160220573170608,"formula_full":"Ca2 Cu4 O8","formula_reduced":"Ca(CuO2)2","formula_anonymous":"AB2C4","energy":-79.11519564,"energy_per_atom":-5.6510854028571424,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.61919564,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.886237,"is_theoretical":true,"updated_at":"2021-11-28T01:40:00.415000Z","spacegroup":74},{"id":"mp-23275","created_at":"2022-09-04T14:48:31.237958Z","structure_string":"Ti2 Cl6\n1.0\n6.545849 -3.056909 0.000000\n6.545849 3.056909 0.000000\n5.118274 0.000000 5.098638\nTi Cl\n2 6\ndirect\n0.666572 0.666572 0.666572 Ti\n0.333428 0.333428 0.333428 Ti\n0.925814 0.572652 0.278420 Cl\n0.278420 0.925814 0.572652 Cl\n0.427348 0.721580 0.074186 Cl\n0.721580 0.074186 0.427348 Cl\n0.074186 0.427348 0.721580 Cl\n0.572652 0.278420 0.925814 Cl\n","nsites":8,"nelements":2,"elements":["Ti","Cl"],"chemical_system":"Cl-Ti","density":2.510175119475106,"density_atomic":0.03920643187777129,"volume":204.0481527352589,"volume_molar":15.36008371987135,"formula_full":"Ti2 Cl6","formula_reduced":"TiCl3","formula_anonymous":"AB3","energy":-43.22890706,"energy_per_atom":-5.4036133825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.54490706,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998,"is_theoretical":false,"updated_at":"2021-11-28T01:40:00.435000Z","spacegroup":148},{"id":"mp-13109","created_at":"2022-09-04T14:48:31.676527Z","structure_string":"Sr2 Hf2 O6\n1.0\n-2.913550 2.918285 4.093266\n2.913550 -2.918285 4.093266\n2.913550 2.918285 -4.093266\nSr Hf O\n2 2 6\ndirect\n0.741162 0.250000 0.491162 Sr\n0.258838 0.750000 0.508838 Sr\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Hf\n0.290538 0.290538 0.500000 O\n0.709462 0.209462 0.000000 O\n0.709462 0.709462 0.500000 O\n0.290538 0.790538 0.000000 O\n0.175148 0.250000 0.925148 O\n0.824852 0.750000 0.074852 O\n","nsites":10,"nelements":3,"elements":["Sr","Hf","O"],"chemical_system":"Hf-O-Sr","density":7.493388153819448,"density_atomic":0.07183231486349594,"volume":139.2131106870655,"volume_molar":8.383609481949687,"formula_full":"Sr2 Hf2 O6","formula_reduced":"SrHfO3","formula_anonymous":"ABC3","energy":-91.08384599,"energy_per_atom":-9.108384599,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.96184599,"band_gap":4.015599999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:40:00.468000Z","spacegroup":74},{"id":"mp-977593","created_at":"2022-09-04T14:48:16.391621Z","structure_string":"Tm2 Cu1 Tc1\n1.0\n0.000000 3.373581 3.373581\n3.373581 0.000000 3.373581\n3.373581 3.373581 0.000000\nTm Cu Tc\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Tm\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Tm","Cu","Tc"],"chemical_system":"Cu-Tc-Tm","density":10.79957720502253,"density_atomic":0.05209026531481274,"volume":76.78977973764577,"volume_molar":11.560971562737468,"formula_full":"Tm2 Cu1 Tc1","formula_reduced":"Tm2CuTc","formula_anonymous":"ABC2","energy":-24.03710445,"energy_per_atom":-6.0092761125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.03710445,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:40:00.506000Z","spacegroup":225},{"id":"mp-734378","created_at":"2022-09-04T14:48:31.196481Z","structure_string":"Ni8 P8 O28\n1.0\n8.320367 0.000000 0.000000\n0.000000 6.988445 0.000000\n0.000000 3.645661 8.271848\nNi P O\n8 8 28\ndirect\n0.442588 0.305037 0.820706 Ni\n0.557412 0.694963 0.179294 Ni\n0.942588 0.694963 0.679294 Ni\n0.057412 0.305037 0.320706 Ni\n0.575640 0.769077 0.609304 Ni\n0.424360 0.230923 0.390696 Ni\n0.075640 0.230923 0.890696 Ni\n0.924360 0.769077 0.109304 Ni\n0.770580 0.059340 0.757064 P\n0.229420 0.940660 0.242936 P\n0.270580 0.940660 0.742936 P\n0.729420 0.059340 0.257064 P\n0.224985 0.528710 0.533993 P\n0.775015 0.471290 0.466007 P\n0.724985 0.471290 0.966007 P\n0.275015 0.528710 0.033993 P\n0.167124 0.749938 0.404101 O\n0.832876 0.250062 0.595899 O\n0.667124 0.250062 0.095899 O\n0.332876 0.749938 0.904101 O\n0.766831 0.623102 0.550147 O\n0.233169 0.376898 0.449853 O\n0.266831 0.376898 0.949853 O\n0.733169 0.623102 0.050147 O\n0.261897 0.121947 0.797664 O\n0.738103 0.878053 0.202336 O\n0.761897 0.878053 0.702336 O\n0.238103 0.121947 0.297664 O\n0.389469 0.550368 0.602301 O\n0.610531 0.449632 0.397699 O\n0.889469 0.449632 0.897699 O\n0.110531 0.550368 0.102301 O\n0.906648 0.022466 0.880084 O\n0.093352 0.977534 0.119916 O\n0.406648 0.977534 0.619916 O\n0.593352 0.022466 0.380084 O\n0.088787 0.477014 0.658671 O\n0.911213 0.522986 0.341329 O\n0.588787 0.522986 0.841329 O\n0.411213 0.477014 0.158671 O\n0.612045 0.114814 0.809157 O\n0.387955 0.885186 0.190843 O\n0.112045 0.885186 0.690843 O\n0.887955 0.114814 0.309157 O\n","nsites":44,"nelements":3,"elements":["Ni","P","O"],"chemical_system":"Ni-O-P","density":4.0231748031325605,"density_atomic":0.0914801981562831,"volume":480.9784072049254,"volume_molar":6.582999251610588,"formula_full":"Ni8 P8 O28","formula_reduced":"Ni2P2O7","formula_anonymous":"A2B2C7","energy":-326.06132602,"energy_per_atom":-7.4104846822727275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.49732602,"band_gap":3.3708,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000847,"is_theoretical":false,"updated_at":"2021-11-28T01:40:00.515000Z","spacegroup":14},{"id":"mp-865188","created_at":"2022-09-04T14:48:31.316975Z","structure_string":"Mg1 H8 Cl2 O12\n1.0\n3.953183 5.676032 0.000000\n-3.953183 5.676032 0.000000\n0.000000 2.266349 5.556930\nMg H Cl O\n1 8 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.241337 0.042430 0.263297 H\n0.042430 0.241337 0.263297 H\n0.619482 0.281884 0.134727 H\n0.718116 0.380518 0.865273 H\n0.281884 0.619482 0.134727 H\n0.380518 0.718116 0.865273 H\n0.957570 0.758663 0.736703 H\n0.758663 0.957570 0.736703 H\n0.301923 0.301923 0.602748 Cl\n0.698077 0.698077 0.397252 Cl\n0.116186 0.116186 0.196163 O\n0.163123 0.163123 0.658760 O\n0.487914 0.186654 0.699310 O\n0.742730 0.257270 0.000000 O\n0.363903 0.363903 0.338098 O\n0.186654 0.487914 0.699310 O\n0.813346 0.512086 0.300690 O\n0.636097 0.636097 0.661902 O\n0.257270 0.742730 0.000000 O\n0.512086 0.813346 0.300690 O\n0.836877 0.836877 0.341240 O\n0.883814 0.883814 0.803837 O\n","nsites":23,"nelements":4,"elements":["Mg","H","Cl","O"],"chemical_system":"Cl-H-Mg-O","density":1.9661099615435325,"density_atomic":0.0922297772978521,"volume":249.37716075929023,"volume_molar":6.529497236615627,"formula_full":"Mg1 H8 Cl2 O12","formula_reduced":"MgH8(ClO6)2","formula_anonymous":"AB2C8D12","energy":-117.70831965,"energy_per_atom":-5.11775302826087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.46431965,"band_gap":5.3273,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.003008,"is_theoretical":false,"updated_at":"2021-11-28T01:40:00.533000Z","spacegroup":12},{"id":"mp-1039462","created_at":"2022-09-04T14:48:31.247901Z","structure_string":"Ca4 Mg2\n1.0\n1.868179 -3.235782 0.000000\n1.868179 3.235782 0.000000\n0.000000 0.000000 17.991850\nCa Mg\n4 2\ndirect\n0.333333 0.666667 0.908252 Ca\n0.666667 0.333333 0.725187 Ca\n0.333333 0.666667 0.274813 Ca\n0.666667 0.333333 0.091748 Ca\n0.333333 0.666667 0.570298 Mg\n0.666667 0.333333 0.429702 Mg\n","nsites":6,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.5948862507586505,"density_atomic":0.027583393328351455,"volume":217.52218548951805,"volume_molar":21.832486990678458,"formula_full":"Ca4 Mg2","formula_reduced":"Ca2Mg","formula_anonymous":"AB2","energy":-10.78773405,"energy_per_atom":-1.7979556749999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.78773405,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0099207,"is_theoretical":true,"updated_at":"2021-11-28T01:40:00.549000Z","spacegroup":164},{"id":"mp-22635","created_at":"2022-09-04T14:48:14.843581Z","structure_string":"Fe14 Si2 O20\n1.0\n3.049719 0.000000 0.000000\n0.000000 6.056423 0.000000\n0.000000 2.975133 21.721052\nFe Si O\n14 2 20\ndirect\n0.250000 0.846132 0.552271 Fe\n0.750000 0.344289 0.054754 Fe\n0.750000 0.454596 0.839323 Fe\n0.250000 0.545404 0.160677 Fe\n0.250000 0.360145 0.553650 Fe\n0.750000 0.639855 0.446350 Fe\n0.250000 0.655711 0.945246 Fe\n0.750000 0.153868 0.447729 Fe\n0.250000 0.973849 0.803851 Fe\n0.750000 0.026151 0.196149 Fe\n0.750000 0.044168 0.658733 Fe\n0.250000 0.955832 0.341267 Fe\n0.750000 0.852543 0.052609 Fe\n0.250000 0.147457 0.947391 Fe\n0.750000 0.467641 0.309477 Si\n0.250000 0.532359 0.690523 Si\n0.750000 0.382929 0.953847 O\n0.250000 0.617071 0.046153 O\n0.750000 0.910516 0.955835 O\n0.250000 0.089484 0.044165 O\n0.250000 0.212211 0.853815 O\n0.750000 0.787789 0.146185 O\n0.250000 0.682973 0.850494 O\n0.750000 0.317027 0.149506 O\n0.750000 0.005390 0.753096 O\n0.250000 0.994610 0.246904 O\n0.750000 0.508592 0.730951 O\n0.250000 0.491408 0.269049 O\n0.250000 0.323459 0.650618 O\n0.750000 0.676541 0.349382 O\n0.250000 0.783925 0.653857 O\n0.750000 0.216075 0.346143 O\n0.750000 0.093877 0.561293 O\n0.250000 0.906123 0.438707 O\n0.250000 0.382254 0.459293 O\n0.750000 0.617746 0.540707 O\n","nsites":36,"nelements":3,"elements":["Fe","Si","O"],"chemical_system":"Fe-O-Si","density":4.792881047932527,"density_atomic":0.08973164302564016,"volume":401.19626461886213,"volume_molar":6.711278827558321,"formula_full":"Fe14 Si2 O20","formula_reduced":"Fe7SiO10","formula_anonymous":"AB7C10","energy":-292.41318088,"energy_per_atom":-8.12258835777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-247.08918088,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":59.9960476,"is_theoretical":false,"updated_at":"2021-11-28T01:40:00.587000Z","spacegroup":11},{"id":"mp-14795","created_at":"2022-09-04T14:48:31.566266Z","structure_string":"K12 Co2 Se8\n1.0\n5.108512 -8.848202 0.000000\n5.108512 8.848202 0.000000\n0.000000 0.000000 8.016140\nK Co Se\n12 2 8\ndirect\n0.146684 0.853316 0.543417 K\n0.293368 0.146684 0.043417 K\n0.853316 0.706632 0.043417 K\n0.146684 0.293368 0.543417 K\n0.706632 0.853316 0.543417 K\n0.853316 0.146684 0.043417 K\n0.528158 0.471842 0.366372 K\n0.056317 0.528158 0.866372 K\n0.471842 0.943683 0.866372 K\n0.528158 0.056317 0.366372 K\n0.943683 0.471842 0.366372 K\n0.471842 0.528158 0.866372 K\n0.333333 0.666667 0.252642 Co\n0.666667 0.333333 0.752642 Co\n0.333333 0.666667 0.563302 Se\n0.666667 0.333333 0.063302 Se\n0.198929 0.801071 0.154797 Se\n0.397857 0.198929 0.654797 Se\n0.801071 0.602143 0.654797 Se\n0.198929 0.397857 0.154797 Se\n0.602143 0.801071 0.154797 Se\n0.801071 0.198929 0.654797 Se\n","nsites":22,"nelements":3,"elements":["K","Co","Se"],"chemical_system":"Co-K-Se","density":2.7926109364492544,"density_atomic":0.03035833472022214,"volume":724.6774305227444,"volume_molar":19.836861328195848,"formula_full":"K12 Co2 Se8","formula_reduced":"K6CoSe4","formula_anonymous":"AB4C6","energy":-79.72123782999999,"energy_per_atom":-3.623692628636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.94523783,"band_gap":0.2789999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.9993929,"is_theoretical":false,"updated_at":"2021-11-28T01:40:00.629000Z","spacegroup":186},{"id":"mp-1217450","created_at":"2022-09-04T14:48:31.594870Z","structure_string":"Ti4 In6 Fe2 O20\n1.0\n10.225950 0.000000 0.000000\n0.000000 5.975068 0.000000\n0.000000 1.982331 6.196755\nTi In Fe O\n4 6 2 20\ndirect\n0.155210 0.302898 0.490889 Ti\n0.655210 0.697102 0.509111 Ti\n0.501367 0.255927 0.500229 Ti\n0.001367 0.744073 0.499771 Ti\n0.998356 0.249985 0.997836 In\n0.498356 0.750015 0.002164 In\n0.667730 0.228727 0.002196 In\n0.167730 0.771273 0.997804 In\n0.333396 0.269634 0.996842 In\n0.833396 0.730366 0.003158 In\n0.844350 0.192766 0.505620 Fe\n0.344350 0.807234 0.494380 Fe\n0.541337 0.943629 0.498361 O\n0.041337 0.056371 0.501639 O\n0.462355 0.554714 0.500908 O\n0.962355 0.445286 0.499092 O\n0.333149 0.890622 0.166675 O\n0.833149 0.109378 0.833325 O\n0.665701 0.612079 0.828693 O\n0.165701 0.387921 0.171307 O\n0.815770 0.857830 0.501428 O\n0.315770 0.142170 0.498572 O\n0.180499 0.627032 0.497221 O\n0.680499 0.372968 0.502779 O\n0.001038 0.863248 0.169547 O\n0.501038 0.136752 0.830453 O\n0.000860 0.639779 0.831752 O\n0.500860 0.360221 0.168248 O\n0.665934 0.829945 0.172176 O\n0.165934 0.170055 0.827824 O\n0.332949 0.665123 0.831119 O\n0.832949 0.334877 0.168881 O\n","nsites":32,"nelements":4,"elements":["Ti","In","Fe","O"],"chemical_system":"Fe-In-O-Ti","density":5.754266399324723,"density_atomic":0.0845160391002131,"volume":378.6263570877556,"volume_molar":7.125441305714024,"formula_full":"Ti4 In6 Fe2 O20","formula_reduced":"Ti2In3FeO10","formula_anonymous":"AB2C3D10","energy":-243.82244285,"energy_per_atom":-7.6194513390625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-225.57044285,"band_gap":1.5595,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9998996,"is_theoretical":true,"updated_at":"2021-11-28T01:40:00.634000Z","spacegroup":4},{"id":"mp-771214","created_at":"2022-09-04T14:48:14.888433Z","structure_string":"Rb8 S8 O28\n1.0\n7.735150 0.000000 0.000000\n-0.307381 7.837736 0.000000\n-0.390156 -2.268124 12.997415\nRb S O\n8 8 28\ndirect\n0.115973 0.875463 0.132230 Rb\n0.776734 0.378553 0.154779 Rb\n0.556333 0.795793 0.342481 Rb\n0.215039 0.294426 0.371931 Rb\n0.784961 0.705574 0.628069 Rb\n0.443667 0.204207 0.657519 Rb\n0.223266 0.621447 0.845221 Rb\n0.884027 0.124537 0.867770 Rb\n0.658379 0.861113 0.084801 S\n0.278492 0.386457 0.107118 S\n0.065485 0.759898 0.391045 S\n0.702385 0.275377 0.417352 S\n0.297615 0.724623 0.582648 S\n0.934515 0.240102 0.608955 S\n0.721508 0.613543 0.892882 S\n0.341621 0.138887 0.915199 S\n0.410447 0.271002 0.023940 O\n0.191687 0.504160 0.050336 O\n0.772089 0.994880 0.054041 O\n0.495174 0.920556 0.126571 O\n0.750096 0.752786 0.146777 O\n0.160230 0.260752 0.142592 O\n0.407131 0.468411 0.185278 O\n0.029994 0.611999 0.308700 O\n0.180951 0.893857 0.361731 O\n0.819335 0.187320 0.343213 O\n0.649077 0.443140 0.396883 O\n0.915894 0.822012 0.447478 O\n0.184407 0.657200 0.471539 O\n0.558832 0.164035 0.442085 O\n0.441168 0.835965 0.557915 O\n0.815593 0.342800 0.528461 O\n0.084106 0.177988 0.552522 O\n0.350923 0.556860 0.603117 O\n0.180665 0.812680 0.656787 O\n0.819049 0.106143 0.638269 O\n0.970006 0.388001 0.691300 O\n0.592869 0.531589 0.814722 O\n0.839770 0.739248 0.857408 O\n0.249904 0.247214 0.853223 O\n0.504826 0.079444 0.873429 O\n0.227911 0.005120 0.945959 O\n0.808313 0.495840 0.949664 O\n0.589553 0.728998 0.976060 O\n","nsites":44,"nelements":3,"elements":["Rb","S","O"],"chemical_system":"O-Rb-S","density":2.9254928854486097,"density_atomic":0.055838831256089655,"volume":787.9821086907413,"volume_molar":10.784861761130145,"formula_full":"Rb8 S8 O28","formula_reduced":"Rb2S2O7","formula_anonymous":"A2B2C7","energy":-272.33443823,"energy_per_atom":-6.189419050681818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.09843823,"band_gap":4.9516,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0055964,"is_theoretical":true,"updated_at":"2021-11-28T01:40:00.680000Z","spacegroup":2}]}