{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=12172","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=12170","results":[{"id":"mp-1185477","created_at":"2022-09-04T14:44:14.582708Z","structure_string":"Li2 Te6\n1.0\n3.091266 -5.354229 0.000000\n3.091266 5.354229 0.000000\n0.000000 0.000000 7.703843\nLi Te\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.833065 0.166935 0.750000 Te\n0.333871 0.166935 0.750000 Te\n0.833065 0.666129 0.750000 Te\n0.166935 0.833065 0.250000 Te\n0.666129 0.833065 0.250000 Te\n0.166935 0.333871 0.250000 Te\n","nsites":8,"nelements":2,"elements":["Li","Te"],"chemical_system":"Li-Te","density":5.0755656536630855,"density_atomic":0.0313703416510384,"volume":255.01794303012284,"volume_molar":19.196924365663257,"formula_full":"Li2 Te6","formula_reduced":"LiTe3","formula_anonymous":"AB3","energy":-26.27702221,"energy_per_atom":-3.28462777625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.74502221,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003453,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.779000Z","spacegroup":194},{"id":"mp-1192681","created_at":"2022-09-04T14:44:14.591636Z","structure_string":"Li2 Tc2 H12 O14\n1.0\n7.952062 0.000000 0.000000\n-3.976031 6.886687 0.000000\n0.000000 0.000000 5.756327\nLi Tc H O\n2 2 12 14\ndirect\n0.000000 0.000000 0.105695 Li\n0.000000 0.000000 0.605695 Li\n0.666667 0.333333 0.405331 Tc\n0.333333 0.666667 0.905331 Tc\n0.260705 0.325345 0.348615 H\n0.064640 0.739295 0.348615 H\n0.674655 0.935360 0.348615 H\n0.064640 0.325345 0.348615 H\n0.674655 0.739295 0.348615 H\n0.260705 0.935360 0.348615 H\n0.739295 0.674655 0.848615 H\n0.935360 0.260705 0.848615 H\n0.325345 0.064640 0.848615 H\n0.935360 0.674655 0.848615 H\n0.325345 0.260705 0.848615 H\n0.739295 0.064640 0.848615 H\n0.666667 0.333333 0.705477 O\n0.333333 0.666667 0.205477 O\n0.546573 0.093146 0.307597 O\n0.546573 0.453427 0.307597 O\n0.906854 0.453427 0.307597 O\n0.453427 0.906854 0.807597 O\n0.453427 0.546573 0.807597 O\n0.093146 0.546573 0.807597 O\n0.119086 0.238172 0.355606 O\n0.119086 0.880914 0.355606 O\n0.761828 0.880914 0.355606 O\n0.880914 0.761828 0.855606 O\n0.880914 0.119086 0.855606 O\n0.238172 0.119086 0.855606 O\n","nsites":30,"nelements":4,"elements":["Li","Tc","H","O"],"chemical_system":"H-Li-O-Tc","density":2.3491897253667338,"density_atomic":0.09516685022726139,"volume":315.2358192832806,"volume_molar":6.327981587726128,"formula_full":"Li2 Tc2 H12 O14","formula_reduced":"LiTcH6O7","formula_anonymous":"ABC6D7","energy":-182.3240444,"energy_per_atom":-6.077468146666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.7060444,"band_gap":3.4434,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.030514,"is_theoretical":false,"updated_at":"2021-11-28T01:36:25.406000Z","spacegroup":186},{"id":"mp-1208782","created_at":"2022-09-04T14:44:14.596703Z","structure_string":"Sr2 Ca2 B22 H14 O44\n1.0\n20.877686 0.000000 0.000000\n0.000000 6.683516 0.000000\n0.000000 3.309333 5.895799\nSr Ca B H O\n2 2 22 14 44\ndirect\n0.366215 0.305761 0.377979 Sr\n0.866215 0.694239 0.622021 Sr\n0.480056 0.983391 0.077902 Ca\n0.980056 0.016609 0.922098 Ca\n0.494371 0.878883 0.659568 B\n0.994371 0.121117 0.340432 B\n0.016923 0.514628 0.030042 B\n0.516923 0.485372 0.969958 B\n0.212811 0.308788 0.421633 B\n0.712811 0.691212 0.578367 B\n0.017220 0.693819 0.609427 B\n0.517220 0.306181 0.390573 B\n0.339981 0.976798 0.058590 B\n0.839981 0.023202 0.941410 B\n0.235235 0.895925 0.247038 B\n0.735235 0.104075 0.752962 B\n0.498724 0.562748 0.574427 B\n0.998724 0.437252 0.425573 B\n0.861910 0.596793 0.206557 B\n0.361910 0.403207 0.793443 B\n0.355477 0.718683 0.875700 B\n0.855477 0.281317 0.124300 B\n0.119248 0.599775 0.817634 B\n0.619248 0.400225 0.182366 B\n0.335874 0.795024 0.480649 B\n0.835874 0.204976 0.519351 B\n0.124959 0.372439 0.296386 H\n0.624959 0.627561 0.703614 H\n0.142975 0.833690 0.369642 H\n0.642975 0.166310 0.630358 H\n0.609622 0.855526 0.278233 H\n0.109622 0.144474 0.721767 H\n0.221118 0.478934 0.071980 H\n0.721118 0.521066 0.928020 H\n0.742666 0.876246 0.237811 H\n0.242666 0.123754 0.762189 H\n0.122681 0.005258 0.992583 H\n0.622682 0.994742 0.007417 H\n0.210625 0.656314 0.686756 H\n0.710625 0.343686 0.313244 H\n0.992125 0.274893 0.112916 O\n0.492125 0.725107 0.887084 O\n0.087502 0.503620 0.021185 O\n0.587502 0.496380 0.978815 O\n0.754419 0.785492 0.399698 O\n0.254419 0.214508 0.600302 O\n0.498324 0.800580 0.502203 O\n0.998324 0.199420 0.497797 O\n0.361331 0.768217 0.047950 O\n0.861331 0.231783 0.952050 O\n0.185443 0.586181 0.829657 O\n0.685443 0.413819 0.170343 O\n0.495462 0.515529 0.400555 O\n0.995462 0.484471 0.599445 O\n0.871156 0.824644 0.137547 O\n0.371156 0.175356 0.862453 O\n0.088175 0.702488 0.611444 O\n0.588175 0.297512 0.388556 O\n0.990774 0.893453 0.405040 O\n0.490774 0.106547 0.594960 O\n0.245325 0.412658 0.218993 O\n0.745325 0.587342 0.781007 O\n0.169192 0.905188 0.229213 O\n0.669192 0.094812 0.770787 O\n0.489060 0.318879 0.185386 O\n0.989060 0.681121 0.814614 O\n0.000893 0.592449 0.198529 O\n0.500893 0.407551 0.801471 O\n0.366205 0.958428 0.268144 O\n0.866205 0.041572 0.731856 O\n0.350781 0.871093 0.649773 O\n0.850781 0.128907 0.350227 O\n0.147293 0.298667 0.445581 O\n0.647293 0.701333 0.554419 O\n0.589584 0.948332 0.127787 O\n0.089584 0.051668 0.872213 O\n0.855740 0.518062 0.051989 O\n0.355740 0.481938 0.948011 O\n0.360562 0.556972 0.566176 O\n0.860562 0.443028 0.433824 O\n0.269792 0.994786 0.048258 O\n0.769792 0.005214 0.951742 O\n0.264871 0.791960 0.455864 O\n0.764871 0.208040 0.544136 O\n","nsites":84,"nelements":5,"elements":["Sr","Ca","B","H","O"],"chemical_system":"B-Ca-H-O-Sr","density":2.4450004995634695,"density_atomic":0.10210552986103472,"volume":822.6782635017292,"volume_molar":5.89795750357117,"formula_full":"Sr2 Ca2 B22 H14 O44","formula_reduced":"SrCaB11H7O22","formula_anonymous":"ABC7D11E22","energy":-635.45597899,"energy_per_atom":-7.5649521308333325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-605.22797899,"band_gap":5.8782,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020202,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.077000Z","spacegroup":4},{"id":"mp-1095666","created_at":"2022-09-04T14:44:14.602945Z","structure_string":"Tb4 Os8\n1.0\n2.669690 -4.624039 0.000000\n2.669690 4.624039 0.000000\n0.000000 0.000000 8.852383\nTb Os\n4 8\ndirect\n0.333333 0.666667 0.434636 Tb\n0.666667 0.333333 0.565364 Tb\n0.666667 0.333333 0.934636 Tb\n0.333333 0.666667 0.065364 Tb\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.827448 0.172552 0.250000 Os\n0.827448 0.654897 0.250000 Os\n0.345103 0.172552 0.250000 Os\n0.172552 0.827448 0.750000 Os\n0.172552 0.345103 0.750000 Os\n0.654897 0.827448 0.750000 Os\n","nsites":12,"nelements":2,"elements":["Tb","Os"],"chemical_system":"Os-Tb","density":16.392142512939206,"density_atomic":0.05490459998868013,"volume":218.5609220807379,"volume_molar":10.968371978379963,"formula_full":"Tb4 Os8","formula_reduced":"TbOs2","formula_anonymous":"AB2","energy":-111.76564763,"energy_per_atom":-9.313803969166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.76564763,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0811792,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.464000Z","spacegroup":194},{"id":"mp-676750","created_at":"2022-09-04T14:44:14.605464Z","structure_string":"Yb16 Fe8 S32\n1.0\n7.733197 0.000000 0.000000\n3.847470 6.725687 0.000000\n3.736953 2.146777 25.395510\nYb Fe S\n16 8 32\ndirect\n0.657854 0.152186 0.032784 Yb\n0.157420 0.155971 0.030801 Yb\n0.656418 0.657622 0.031781 Yb\n0.285469 0.778024 0.154888 Yb\n0.777893 0.285719 0.157642 Yb\n0.906926 0.906074 0.280384 Yb\n0.531610 0.031299 0.406105 Yb\n0.283357 0.283297 0.660018 Yb\n0.031363 0.531503 0.406089 Yb\n0.780013 0.284390 0.657684 Yb\n0.153476 0.153500 0.530306 Yb\n0.284337 0.780024 0.657703 Yb\n0.532380 0.538155 0.904805 Yb\n0.028842 0.535621 0.907336 Yb\n0.408562 0.409119 0.781132 Yb\n0.534663 0.028836 0.905186 Yb\n0.237174 0.237843 0.248396 Fe\n0.575396 0.574858 0.315951 Fe\n0.486591 0.486969 0.496680 Fe\n0.405955 0.405295 0.280722 Fe\n0.825818 0.825402 0.565105 Fe\n0.657428 0.657335 0.528453 Fe\n0.072354 0.071912 0.812836 Fe\n0.871717 0.871947 0.774955 Fe\n0.470516 0.965378 0.095733 S\n0.573300 0.574848 0.229680 S\n0.961637 0.472703 0.096065 S\n0.473791 0.468314 0.095117 S\n0.685315 0.245498 0.336861 S\n0.097235 0.095638 0.220077 S\n0.560402 0.131210 0.225927 S\n0.827275 0.827086 0.476849 S\n0.966145 0.971020 0.098278 S\n0.245512 0.685387 0.336818 S\n0.720867 0.721076 0.343525 S\n0.131292 0.560087 0.225979 S\n0.949930 0.488493 0.589496 S\n0.341446 0.341329 0.468630 S\n0.816637 0.373903 0.473999 S\n0.236473 0.236028 0.334893 S\n0.089383 0.089426 0.723866 S\n0.488131 0.950098 0.589573 S\n0.968858 0.968947 0.594181 S\n0.374094 0.816309 0.474079 S\n0.195240 0.747199 0.838753 S\n0.588750 0.588488 0.717789 S\n0.078530 0.615059 0.723144 S\n0.478638 0.478822 0.586808 S\n0.349910 0.344613 0.964579 S\n0.747261 0.195312 0.838786 S\n0.213509 0.214759 0.842290 S\n0.614896 0.078946 0.723104 S\n0.839767 0.843955 0.968152 S\n0.351329 0.842159 0.967534 S\n0.736233 0.733761 0.835231 S\n0.840929 0.347499 0.967715 S\n","nsites":56,"nelements":3,"elements":["Yb","Fe","S"],"chemical_system":"Fe-S-Yb","density":5.332291169741251,"density_atomic":0.04239702293729325,"volume":1320.8474586252448,"volume_molar":14.204159497016965,"formula_full":"Yb16 Fe8 S32","formula_reduced":"Yb2FeS4","formula_anonymous":"AB2C4","energy":-296.30561484,"energy_per_atom":-5.291171693571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-280.20961484,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5220294,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.308000Z","spacegroup":1},{"id":"mp-1022817","created_at":"2022-09-04T14:44:14.652939Z","structure_string":"Y2 Mg12 V2\n1.0\n5.092734 0.000000 0.000000\n0.000000 6.508066 0.000000\n0.000000 0.000000 11.200389\nY Mg V\n2 12 2\ndirect\n0.000000 0.500000 0.326519 Y\n0.000000 0.000000 0.826519 Y\n0.000000 0.259858 0.082093 Mg\n0.000000 0.740142 0.082093 Mg\n0.000000 0.500000 0.837752 Mg\n0.500000 0.254792 0.919187 Mg\n0.500000 0.745208 0.919187 Mg\n0.500000 0.500000 0.665607 Mg\n0.000000 0.759858 0.582093 Mg\n0.000000 0.240142 0.582093 Mg\n0.000000 0.000000 0.337752 Mg\n0.500000 0.754792 0.419187 Mg\n0.500000 0.245208 0.419187 Mg\n0.500000 0.000000 0.165607 Mg\n0.500000 0.500000 0.167562 V\n0.500000 0.000000 0.667562 V\n","nsites":16,"nelements":3,"elements":["Y","Mg","V"],"chemical_system":"Mg-V-Y","density":2.5557528499253603,"density_atomic":0.04310066140095604,"volume":371.22400167263083,"volume_molar":13.972269947269115,"formula_full":"Y2 Mg12 V2","formula_reduced":"YMg6V","formula_anonymous":"ABC6","energy":-47.85401817,"energy_per_atom":-2.990876135625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.85401817,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.6872143,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.530000Z","spacegroup":38},{"id":"mp-759525","created_at":"2022-09-04T14:44:14.608633Z","structure_string":"Mn10 F30\n1.0\n12.485495 0.000000 0.000000\n0.000000 12.485495 0.000000\n0.000000 0.000000 3.907422\nMn F\n10 30\ndirect\n0.500000 0.000000 0.500000 Mn\n0.207643 0.077841 0.500000 Mn\n0.922159 0.207643 0.500000 Mn\n0.422159 0.292357 0.500000 Mn\n0.707643 0.422159 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.292357 0.577841 0.500000 Mn\n0.577841 0.707643 0.500000 Mn\n0.077841 0.792357 0.500000 Mn\n0.792357 0.922159 0.500000 Mn\n0.500000 0.000000 0.000000 F\n0.653583 0.998093 0.500000 F\n0.855895 0.061218 0.500000 F\n0.208272 0.079002 0.000000 F\n0.061218 0.144105 0.500000 F\n0.498093 0.153583 0.500000 F\n0.920998 0.208272 0.000000 F\n0.283670 0.216330 0.500000 F\n0.783670 0.283670 0.500000 F\n0.420998 0.291728 0.000000 F\n0.998093 0.346417 0.500000 F\n0.561218 0.355895 0.500000 F\n0.708272 0.420998 0.000000 F\n0.355895 0.438782 0.500000 F\n0.153583 0.501907 0.500000 F\n0.000000 0.500000 0.000000 F\n0.846417 0.498093 0.500000 F\n0.644105 0.561218 0.500000 F\n0.291728 0.579002 0.000000 F\n0.438782 0.644105 0.500000 F\n0.001907 0.653583 0.500000 F\n0.579002 0.708272 0.000000 F\n0.216330 0.716330 0.500000 F\n0.716330 0.783670 0.500000 F\n0.079002 0.791728 0.000000 F\n0.501907 0.846417 0.500000 F\n0.938782 0.855895 0.500000 F\n0.791728 0.920998 0.000000 F\n0.144105 0.938782 0.500000 F\n0.346417 0.001907 0.500000 F\n","nsites":40,"nelements":2,"elements":["Mn","F"],"chemical_system":"F-Mn","density":3.0514508669488603,"density_atomic":0.06566865839828984,"volume":609.1185806993994,"volume_molar":9.170494581258007,"formula_full":"Mn10 F30","formula_reduced":"MnF3","formula_anonymous":"AB3","energy":-258.53984622,"energy_per_atom":-6.463496155500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-227.99984622,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":39.9983975,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.385000Z","spacegroup":127},{"id":"mp-1196947","created_at":"2022-09-04T14:44:14.618681Z","structure_string":"H24 C10 S4 N4 O10\n1.0\n6.255081 0.000000 0.000000\n0.500084 7.541180 0.000000\n0.021535 2.733600 13.051367\nH C S N O\n24 10 4 4 10\ndirect\n0.419749 0.712179 0.750944 H\n0.580251 0.287821 0.249056 H\n0.535032 0.682709 0.878114 H\n0.464968 0.317291 0.121886 H\n0.558832 0.892902 0.788278 H\n0.441168 0.107098 0.211722 H\n0.200358 0.238940 0.845968 H\n0.799642 0.761060 0.154032 H\n0.157916 0.416879 0.918326 H\n0.842084 0.583121 0.081674 H\n0.133110 0.183967 0.980419 H\n0.866890 0.816033 0.019581 H\n0.713174 0.271676 0.471208 H\n0.286826 0.728324 0.528792 H\n0.650320 0.078299 0.565503 H\n0.349680 0.921701 0.434497 H\n0.477690 0.282017 0.547274 H\n0.522310 0.717983 0.452726 H\n0.038162 0.110638 0.663119 H\n0.961838 0.889362 0.336881 H\n0.049055 0.259898 0.541014 H\n0.950945 0.740102 0.458986 H\n0.085841 0.345217 0.654746 H\n0.914159 0.654783 0.345254 H\n0.549839 0.745849 0.797120 C\n0.450161 0.254151 0.202880 C\n0.112348 0.284221 0.908179 C\n0.887652 0.715779 0.091821 C\n0.664557 0.378606 0.688571 C\n0.335443 0.621394 0.311429 C\n0.643714 0.227216 0.547039 C\n0.356286 0.772784 0.452961 C\n0.999658 0.250318 0.620928 C\n0.000342 0.749682 0.379072 C\n0.799266 0.669907 0.751482 S\n0.200734 0.330093 0.248518 S\n0.833677 0.297731 0.881684 S\n0.166323 0.702269 0.118316 S\n0.803925 0.439868 0.762678 N\n0.196075 0.560132 0.237322 N\n0.769300 0.294397 0.621745 N\n0.230700 0.705603 0.378255 N\n0.805995 0.739645 0.642184 O\n0.194005 0.260355 0.357816 O\n0.969442 0.698911 0.817643 O\n0.030558 0.301089 0.182357 O\n0.773178 0.125106 0.864217 O\n0.226822 0.874894 0.135783 O\n0.721275 0.381683 0.956042 O\n0.278725 0.618317 0.043958 O\n0.468510 0.411398 0.690062 O\n0.531490 0.588602 0.309938 O\n","nsites":52,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.3178169153111203,"density_atomic":0.08446467134935437,"volume":615.6420094849215,"volume_molar":7.129774690168177,"formula_full":"H24 C10 S4 N4 O10","formula_reduced":"H12C5S2N2O5","formula_anonymous":"A2B2C5D5E12","energy":-302.64179709,"energy_per_atom":-5.820034559423077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-294.32779709,"band_gap":4.421799999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0209826,"is_theoretical":false,"updated_at":"2021-11-28T01:36:29.942000Z","spacegroup":2},{"id":"mp-1221675","created_at":"2022-09-04T14:44:14.628410Z","structure_string":"Mn2 Cr2 Si4\n1.0\n4.560709 0.000000 0.000000\n0.000000 4.543461 0.000000\n0.000000 0.061552 4.554107\nMn Cr Si\n2 2 4\ndirect\n0.362161 0.859434 0.384732 Mn\n0.862161 0.140566 0.615268 Mn\n0.637222 0.634954 0.890151 Cr\n0.137222 0.365046 0.109849 Cr\n0.347581 0.340737 0.595681 Si\n0.847581 0.659263 0.404319 Si\n0.653037 0.149257 0.100275 Si\n0.153037 0.850743 0.899725 Si\n","nsites":8,"nelements":3,"elements":["Mn","Cr","Si"],"chemical_system":"Cr-Mn-Si","density":5.740164737350593,"density_atomic":0.08477495923469415,"volume":94.36748861008004,"volume_molar":7.103678744719985,"formula_full":"Mn2 Cr2 Si4","formula_reduced":"MnCrSi2","formula_anonymous":"ABC2","energy":-62.0106887,"energy_per_atom":-7.7513360875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.2946887,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.005028,"is_theoretical":true,"updated_at":"2021-11-28T01:36:39.506000Z","spacegroup":4},{"id":"mp-542143","created_at":"2022-09-04T14:44:14.638794Z","structure_string":"Rb2 Zn8 B6 O18\n1.0\n5.062289 0.000000 0.000000\n0.000000 6.979935 0.000000\n0.000000 0.694801 12.900937\nRb Zn B O\n2 8 6 18\ndirect\n0.276331 0.000000 0.750000 Rb\n0.723669 0.000000 0.250000 Rb\n0.350069 0.488456 0.875370 Zn\n0.350069 0.511544 0.624630 Zn\n0.649931 0.511544 0.124630 Zn\n0.649931 0.488456 0.375370 Zn\n0.832875 0.208504 0.939198 Zn\n0.832875 0.791496 0.560802 Zn\n0.167125 0.791496 0.060802 Zn\n0.167125 0.208504 0.439198 Zn\n0.845106 0.500000 0.750000 B\n0.154894 0.500000 0.250000 B\n0.654823 0.190068 0.546003 B\n0.654823 0.809932 0.953997 B\n0.345177 0.809932 0.453997 B\n0.345177 0.190068 0.046003 B\n0.120577 0.500000 0.750000 O\n0.879423 0.500000 0.250000 O\n0.202535 0.275010 0.962798 O\n0.202535 0.724990 0.537202 O\n0.797465 0.724990 0.037202 O\n0.797465 0.275010 0.462798 O\n0.707823 0.406335 0.830361 O\n0.707823 0.593665 0.669639 O\n0.292177 0.593665 0.169639 O\n0.292177 0.406335 0.330361 O\n0.397406 0.263277 0.561793 O\n0.397406 0.736723 0.938207 O\n0.602594 0.736723 0.438207 O\n0.602594 0.263277 0.061793 O\n0.752066 0.043270 0.607397 O\n0.752066 0.956730 0.892603 O\n0.247934 0.956730 0.392603 O\n0.247934 0.043270 0.107397 O\n","nsites":34,"nelements":4,"elements":["Rb","Zn","B","O"],"chemical_system":"B-O-Rb-Zn","density":3.814189446118246,"density_atomic":0.07458634907897811,"volume":455.84748978660997,"volume_molar":8.074052201728316,"formula_full":"Rb2 Zn8 B6 O18","formula_reduced":"RbZn4(BO3)3","formula_anonymous":"AB3C4D9","energy":-220.31213198,"energy_per_atom":-6.479768587647059,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.94613198,"band_gap":2.7812,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018612,"is_theoretical":false,"updated_at":"2021-11-28T01:36:27.946000Z","spacegroup":13},{"id":"mp-74","created_at":"2022-09-04T14:44:14.826248Z","structure_string":"Rh1\n1.0\n0.000000 1.921949 1.921949\n1.921949 0.000000 1.921949\n1.921949 1.921949 0.000000\nRh\n1\ndirect\n0.000000 0.000000 0.000000 Rh\n","nsites":1,"nelements":1,"elements":["Rh"],"chemical_system":"Rh","density":12.034612504828418,"density_atomic":0.07042784935807943,"volume":14.198928536290465,"volume_molar":8.550794628672195,"formula_full":"Rh1","formula_reduced":"Rh","formula_anonymous":"A","energy":-7.36430787,"energy_per_atom":-7.36430787,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.36430787,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0064721,"is_theoretical":false,"updated_at":"2021-11-28T01:36:37.841000Z","spacegroup":225},{"id":"mp-1215873","created_at":"2022-09-04T14:44:14.878015Z","structure_string":"Zr2 Ti1 Pb3 O9\n1.0\n2.926412 -5.068693 0.000000\n2.926412 5.068693 0.000000\n0.000000 0.000000 7.291130\nZr Ti Pb O\n2 1 3 9\ndirect\n0.666667 0.333333 0.679656 Zr\n0.000000 0.000000 0.024092 Zr\n0.333333 0.666667 0.355054 Ti\n0.333333 0.666667 0.906584 Pb\n0.666667 0.333333 0.224441 Pb\n0.000000 0.000000 0.557731 Pb\n0.499607 0.999214 0.476979 O\n0.840693 0.681387 0.818398 O\n0.177188 0.354377 0.160580 O\n0.499607 0.500393 0.476979 O\n0.840693 0.159307 0.818398 O\n0.177188 0.822812 0.160580 O\n0.000786 0.500393 0.476979 O\n0.318613 0.159307 0.818398 O\n0.645623 0.822812 0.160580 O\n","nsites":15,"nelements":4,"elements":["Zr","Ti","Pb","O"],"chemical_system":"O-Pb-Ti-Zr","density":7.6456202294779825,"density_atomic":0.06934816358131007,"volume":216.29988777442736,"volume_molar":8.68392247033203,"formula_full":"Zr2 Ti1 Pb3 O9","formula_reduced":"Zr2Ti(PbO3)3","formula_anonymous":"AB2C3D9","energy":-122.5452137,"energy_per_atom":-8.169680913333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.3622137,"band_gap":2.8953,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.61e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.012000Z","spacegroup":156}]}