{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=74","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=72","results":[{"id":"mp-1184163","created_at":"2022-09-04T14:48:28.799193Z","structure_string":"Er1 Cd1 Au2\n1.0\n0.000000 3.478138 3.478138\n3.478138 0.000000 3.478138\n3.478138 3.478138 0.000000\nEr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Er","Cd","Au"],"chemical_system":"Au-Cd-Er","density":13.291768716181442,"density_atomic":0.04753238081611844,"volume":84.15315899016744,"volume_molar":12.669554220936195,"formula_full":"Er1 Cd1 Au2","formula_reduced":"ErCdAu2","formula_anonymous":"ABC2","energy":-14.72978495,"energy_per_atom":-3.6824462375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.72978495,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017053,"is_theoretical":true,"updated_at":"2021-11-28T01:39:47.843000Z","spacegroup":225},{"id":"mp-6979","created_at":"2022-09-04T14:48:28.797289Z","structure_string":"Th2 Ge2 S2\n1.0\n-1.984315 1.984315 8.583524\n1.984315 -1.984315 8.583524\n1.984315 1.984315 -8.583524\nTh Ge S\n2 2 2\ndirect\n0.859568 0.859568 0.000000 Th\n0.140432 0.140432 0.000000 Th\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.687048 0.687048 0.000000 S\n0.312952 0.312952 0.000000 S\n","nsites":6,"nelements":3,"elements":["Th","Ge","S"],"chemical_system":"Ge-S-Th","density":8.272388064586753,"density_atomic":0.04438174793877082,"volume":135.190709664649,"volume_molar":13.568958050746811,"formula_full":"Th2 Ge2 S2","formula_reduced":"ThGeS","formula_anonymous":"ABC","energy":-41.876342,"energy_per_atom":-6.979390333333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.870342,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.88e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:39:42.840000Z","spacegroup":139},{"id":"mp-1113008","created_at":"2022-09-04T14:48:28.789883Z","structure_string":"Cs2 Li1 Pr1 I6\n1.0\n0.000000 6.143747 6.143747\n6.143747 0.000000 6.143747\n6.143747 6.143747 0.000000\nCs Li Pr I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.744958 0.255042 0.255042 I\n0.255042 0.255042 0.744958 I\n0.255042 0.744958 0.744958 I\n0.255042 0.744958 0.255042 I\n0.744958 0.255042 0.744958 I\n0.744958 0.744958 0.255042 I\n","nsites":10,"nelements":4,"elements":["Cs","Li","Pr","I"],"chemical_system":"Cs-I-Li-Pr","density":4.207158973151472,"density_atomic":0.021561056369702278,"volume":463.79916774634745,"volume_molar":27.930638725393564,"formula_full":"Cs2 Li1 Pr1 I6","formula_reduced":"Cs2LiPrI6","formula_anonymous":"ABC2D6","energy":-34.3708473,"energy_per_atom":-3.43708473,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.0968473,"band_gap":2.9609,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010953,"is_theoretical":true,"updated_at":"2021-11-28T01:39:39.207000Z","spacegroup":225},{"id":"mp-17714","created_at":"2022-09-04T14:48:28.788743Z","structure_string":"Ho8 B12 O30\n1.0\n2.199219 5.856104 0.000000\n-2.199219 5.856104 0.000000\n0.000000 2.116931 18.770728\nHo B O\n8 12 30\ndirect\n0.064622 0.667722 0.099060 Ho\n0.332278 0.935378 0.400940 Ho\n0.935378 0.332278 0.900940 Ho\n0.667722 0.064622 0.599060 Ho\n0.347226 0.927093 0.197079 Ho\n0.072907 0.652774 0.302921 Ho\n0.652774 0.072907 0.802921 Ho\n0.927093 0.347226 0.697079 Ho\n0.360462 0.978154 0.025834 B\n0.021846 0.639538 0.474166 B\n0.639538 0.021846 0.974166 B\n0.978154 0.360462 0.525834 B\n0.794897 0.340758 0.305713 B\n0.659242 0.205103 0.194287 B\n0.205103 0.659242 0.694287 B\n0.340758 0.794897 0.805713 B\n0.803334 0.390780 0.087488 B\n0.609220 0.196666 0.412512 B\n0.196666 0.609220 0.912512 B\n0.390780 0.803334 0.587488 B\n0.076848 0.561551 0.861228 O\n0.923152 0.438449 0.138772 O\n0.088545 0.494455 0.549260 O\n0.505545 0.911455 0.950740 O\n0.911455 0.505545 0.450740 O\n0.494455 0.088545 0.049260 O\n0.161973 0.809848 0.621505 O\n0.190152 0.838027 0.878495 O\n0.561551 0.076848 0.361228 O\n0.809848 0.161973 0.121505 O\n0.664759 0.466551 0.803183 O\n0.533449 0.335241 0.696817 O\n0.335241 0.533449 0.196817 O\n0.466551 0.664759 0.303183 O\n0.711812 0.458828 0.570626 O\n0.541172 0.288188 0.929374 O\n0.288188 0.541172 0.429374 O\n0.458828 0.711812 0.070626 O\n0.752921 0.992580 0.478967 O\n0.007420 0.247079 0.021033 O\n0.247079 0.007420 0.521033 O\n0.992580 0.752921 0.978967 O\n0.951334 0.685649 0.703471 O\n0.314351 0.048666 0.796529 O\n0.048666 0.314351 0.296529 O\n0.685649 0.951334 0.203471 O\n0.866688 0.133312 0.250000 O\n0.133312 0.866688 0.750000 O\n0.838027 0.190152 0.378495 O\n0.438449 0.923152 0.638772 O\n","nsites":50,"nelements":3,"elements":["Ho","B","O"],"chemical_system":"B-Ho-O","density":6.625645561038887,"density_atomic":0.10341454663543258,"volume":483.49097517455704,"volume_molar":5.823301417381695,"formula_full":"Ho8 B12 O30","formula_reduced":"Ho4(B2O5)3","formula_anonymous":"A4B6C15","energy":-434.11370577,"energy_per_atom":-8.6822741154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-413.50370577,"band_gap":5.5299,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001521,"is_theoretical":false,"updated_at":"2021-11-28T01:39:44.129000Z","spacegroup":15},{"id":"mp-1038987","created_at":"2022-09-04T14:48:28.781555Z","structure_string":"Ca2 Mg10\n1.0\n5.259202 0.000000 0.000000\n0.000000 3.418626 0.000000\n0.000000 0.000000 17.283990\nCa Mg\n2 10\ndirect\n0.000000 0.500000 0.720624 Ca\n0.000000 0.000000 0.220624 Ca\n0.500000 0.000000 0.001845 Mg\n0.500000 -0.000000 0.659911 Mg\n0.500000 0.500000 0.837925 Mg\n0.000000 0.000000 0.895251 Mg\n0.000000 0.000000 0.551110 Mg\n0.500000 0.500000 0.501845 Mg\n0.500000 0.500000 0.159911 Mg\n0.500000 0.000000 0.337925 Mg\n0.000000 0.500000 0.395251 Mg\n0.000000 0.500000 0.051110 Mg\n","nsites":12,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.7270824153688362,"density_atomic":0.038615867575723925,"volume":310.7530855410294,"volume_molar":15.594990189436665,"formula_full":"Ca2 Mg10","formula_reduced":"CaMg5","formula_anonymous":"AB5","energy":-19.74738155,"energy_per_atom":-1.6456151291666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.74738155,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.6e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:39:40.580000Z","spacegroup":38},{"id":"mp-1215787","created_at":"2022-09-04T14:48:28.781172Z","structure_string":"Zr2 P4 O17\n1.0\n5.483885 0.000000 0.000000\n0.000000 8.104685 0.000000\n0.000000 3.711228 8.765285\nZr P O\n2 4 17\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.771175 0.243169 P\n0.000000 0.771033 0.742468 P\n0.500000 0.228825 0.756831 P\n0.000000 0.228967 0.257532 P\n0.500000 0.841330 0.372076 O\n0.000000 0.838947 0.872797 O\n0.270761 0.839679 0.144310 O\n0.771082 0.842282 0.642911 O\n0.729239 0.839679 0.144310 O\n0.228918 0.842282 0.642911 O\n0.500000 0.158670 0.627924 O\n0.000000 0.161053 0.127203 O\n0.729239 0.160321 0.855690 O\n0.228918 0.157718 0.357089 O\n0.270761 0.160321 0.855690 O\n0.771082 0.157718 0.357089 O\n0.500000 0.564282 0.313263 O\n0.000000 0.563741 0.811183 O\n0.500000 0.435718 0.686737 O\n0.000000 0.436259 0.188817 O\n0.000000 0.500000 0.500000 O\n","nsites":23,"nelements":3,"elements":["Zr","P","O"],"chemical_system":"O-P-Zr","density":2.4651107577510256,"density_atomic":0.05903877199066413,"volume":389.57449866397997,"volume_molar":10.20031507591704,"formula_full":"Zr2 P4 O17","formula_reduced":"Zr2P4O17","formula_anonymous":"A2B4C17","energy":-178.89190312,"energy_per_atom":-7.777908831304347,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.21290312,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:43.379000Z","spacegroup":10},{"id":"mp-1220689","created_at":"2022-09-04T14:48:28.777019Z","structure_string":"Nb1 Zn3 Ga3\n1.0\n4.933755 -2.739475 0.000000\n4.933755 2.739475 0.000000\n3.412658 0.000000 4.494489\nNb Zn Ga\n1 3 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n","nsites":7,"nelements":3,"elements":["Nb","Zn","Ga"],"chemical_system":"Ga-Nb-Zn","density":6.810622681373106,"density_atomic":0.0576159598620738,"volume":121.49411407459358,"volume_molar":10.45220937812428,"formula_full":"Nb1 Zn3 Ga3","formula_reduced":"Nb(ZnGa)3","formula_anonymous":"AB3C3","energy":-24.2803335,"energy_per_atom":-3.4686190714285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.2803335,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007036,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.003000Z","spacegroup":166},{"id":"mp-884288","created_at":"2022-09-04T14:48:28.774052Z","structure_string":"Li8 Ti8 V8 Cr2 O36\n1.0\n2.972306 0.000000 0.000000\n0.000000 9.140669 0.000000\n0.000000 0.000000 25.116602\nLi Ti V Cr O\n8 8 8 2 36\ndirect\n0.000000 0.196860 0.991001 Li\n0.000000 0.200993 0.192768 Li\n0.000000 0.299007 0.692768 Li\n0.000000 0.303140 0.491001 Li\n0.000000 0.696860 0.508999 Li\n0.000000 0.700993 0.307232 Li\n0.000000 0.799007 0.807232 Li\n0.000000 0.803140 0.008999 Li\n0.000000 0.997537 0.101368 Ti\n0.500000 0.147106 0.805222 Ti\n0.500000 0.352894 0.305222 Ti\n0.000000 0.502463 0.601368 Ti\n0.000000 0.497537 0.398632 Ti\n0.500000 0.647106 0.694778 Ti\n0.500000 0.852894 0.194778 Ti\n0.000000 0.002463 0.898632 Ti\n0.000000 0.011377 0.312433 V\n0.500000 0.147737 0.585808 V\n0.500000 0.352263 0.085808 V\n0.000000 0.488623 0.812433 V\n0.000000 0.511377 0.187567 V\n0.500000 0.647737 0.914192 V\n0.500000 0.852263 0.414192 V\n0.000000 0.988623 0.687567 V\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.991266 0.418560 O\n0.000000 0.008734 0.581440 O\n0.500000 0.059740 0.941927 O\n0.500000 0.047454 0.158390 O\n0.500000 0.126324 0.664586 O\n0.000000 0.100831 0.756722 O\n0.500000 0.149116 0.505373 O\n0.500000 0.144302 0.289147 O\n0.000000 0.184155 0.855623 O\n0.000000 0.201922 0.082826 O\n0.000000 0.298078 0.582826 O\n0.000000 0.315845 0.355623 O\n0.500000 0.355698 0.789147 O\n0.500000 0.350884 0.005373 O\n0.000000 0.399169 0.256722 O\n0.500000 0.373676 0.164586 O\n0.500000 0.452546 0.658390 O\n0.500000 0.440260 0.441927 O\n0.000000 0.491266 0.081440 O\n0.000000 0.508734 0.918560 O\n0.500000 0.559740 0.558073 O\n0.500000 0.547454 0.341610 O\n0.500000 0.626324 0.835414 O\n0.000000 0.600831 0.743278 O\n0.500000 0.649116 0.994627 O\n0.500000 0.644302 0.210853 O\n0.000000 0.684155 0.644377 O\n0.000000 0.701922 0.417174 O\n0.000000 0.798078 0.917174 O\n0.000000 0.815845 0.144377 O\n0.500000 0.855698 0.710853 O\n0.500000 0.850884 0.494627 O\n0.000000 0.899169 0.243278 O\n0.500000 0.873676 0.335414 O\n0.500000 0.952546 0.841610 O\n0.500000 0.940260 0.058073 O\n","nsites":62,"nelements":5,"elements":["Li","Ti","V","Cr","O"],"chemical_system":"Cr-Li-O-Ti-V","density":3.713314563390376,"density_atomic":0.09085719082361335,"volume":682.3895768510432,"volume_molar":6.628138846699709,"formula_full":"Li8 Ti8 V8 Cr2 O36","formula_reduced":"Li4Ti4V4CrO18","formula_anonymous":"AB4C4D4E18","energy":-522.25490796,"energy_per_atom":-8.423466257419355,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-479.92490796,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9974501,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.890000Z","spacegroup":55},{"id":"mp-776367","created_at":"2022-09-04T14:48:28.766625Z","structure_string":"Li4 V3 Ni3 W2 O16\n1.0\n2.998995 5.140570 0.000000\n-2.998995 5.140570 0.000000\n0.000000 0.029845 9.721523\nLi V Ni W O\n4 3 3 2 16\ndirect\n0.663445 0.663445 0.096720 Li\n0.001982 0.001982 0.013101 Li\n0.999352 0.999352 0.510564 Li\n0.332081 0.332081 0.595153 Li\n0.344768 0.836699 0.782782 V\n0.836699 0.344768 0.782782 V\n0.175038 0.175038 0.276204 V\n0.829151 0.829151 0.788652 Ni\n0.168115 0.659284 0.288758 Ni\n0.659284 0.168115 0.288758 Ni\n0.666291 0.666291 0.510205 W\n0.340401 0.340401 0.010534 W\n0.346326 0.830505 0.409737 O\n0.519751 0.519751 0.647199 O\n0.658650 0.658650 0.894803 O\n0.001683 0.001683 0.698938 O\n0.009387 0.009387 0.202636 O\n0.830505 0.346326 0.409737 O\n0.515684 0.959719 0.649700 O\n0.959719 0.515684 0.649700 O\n0.177708 0.177708 0.908125 O\n0.828381 0.828381 0.414083 O\n0.038023 0.468517 0.148495 O\n0.468517 0.038023 0.148495 O\n0.316665 0.316665 0.390783 O\n0.175408 0.659696 0.912856 O\n0.477121 0.477121 0.149751 O\n0.659696 0.175408 0.912856 O\n","nsites":28,"nelements":5,"elements":["Li","V","Ni","W","O"],"chemical_system":"Li-Ni-O-V-W","density":5.430928674777909,"density_atomic":0.09341286852206418,"volume":299.7445688479889,"volume_molar":6.446799948743216,"formula_full":"Li4 V3 Ni3 W2 O16","formula_reduced":"Li4V3Ni3(WO8)2","formula_anonymous":"A2B3C3D4E16","energy":-217.36608257,"energy_per_atom":-7.7630743775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.77508257,"band_gap":1.0464999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.9983625,"is_theoretical":true,"updated_at":"2021-11-28T01:39:44.201000Z","spacegroup":8},{"id":"mp-1652832","created_at":"2022-09-04T14:48:28.766216Z","structure_string":"Na12 Co4 B4 P4 O28\n1.0\n0.001325 6.691925 0.004078\n0.128913 0.006336 10.490795\n8.848261 -0.000805 -5.106732\nNa Co B P O\n12 4 4 4 28\ndirect\n0.248720 0.423977 0.080366 Na\n0.250927 0.912894 0.077284 Na\n0.752730 0.583090 0.924346 Na\n0.749039 0.080875 0.923569 Na\n0.002689 0.253705 0.257625 Na\n0.004235 0.752946 0.258781 Na\n0.496177 0.250995 0.255804 Na\n0.496943 0.756472 0.260460 Na\n0.499752 0.751435 0.746294 Na\n0.505310 0.245669 0.739074 Na\n0.998998 0.748797 0.744864 Na\n0.996200 0.247118 0.740660 Na\n0.753390 0.056245 0.339687 Co\n0.252317 0.443139 0.659541 Co\n0.747281 0.555911 0.340287 Co\n0.249829 0.944914 0.659302 Co\n0.751041 0.396770 0.066571 B\n0.748515 0.897260 0.066798 B\n0.249483 0.599482 0.932799 B\n0.249523 0.099474 0.934578 B\n0.250079 0.572831 0.424541 P\n0.250336 0.068879 0.420552 P\n0.749427 0.430435 0.576921 P\n0.750896 0.929551 0.576461 P\n0.247976 0.197165 0.081711 O\n0.251897 0.682672 0.083118 O\n0.749931 0.812504 0.916777 O\n0.749453 0.312136 0.916304 O\n0.754754 0.550632 0.141420 O\n0.744808 0.050992 0.141070 O\n0.245342 0.445361 0.857084 O\n0.248518 0.948809 0.869595 O\n0.749566 0.345802 0.169530 O\n0.750289 0.846000 0.169623 O\n0.249620 0.651968 0.831249 O\n0.252392 0.141996 0.821594 O\n0.250635 0.449965 0.471222 O\n0.251987 0.941719 0.459709 O\n0.748700 0.554999 0.532243 O\n0.750991 0.054846 0.532818 O\n0.750040 0.281613 0.431949 O\n0.750251 0.781026 0.431322 O\n0.250574 0.723600 0.568917 O\n0.249548 0.217170 0.567171 O\n0.065453 0.552299 0.324978 O\n0.063896 0.051255 0.321595 O\n0.435592 0.552101 0.325031 O\n0.433932 0.052936 0.320572 O\n0.563825 0.450431 0.676722 O\n0.566132 0.948722 0.676573 O\n0.933754 0.450449 0.677149 O\n0.936308 0.947969 0.675789 O\n","nsites":52,"nelements":5,"elements":["Na","Co","B","P","O"],"chemical_system":"B-Co-Na-O-P","density":2.9907729057500725,"density_atomic":0.08312218580445532,"volume":625.5850889476106,"volume_molar":7.244925890383906,"formula_full":"Na12 Co4 B4 P4 O28","formula_reduced":"Na3CoBPO7","formula_anonymous":"ABCD3E7","energy":-350.60150013000003,"energy_per_atom":-6.7423365409615394,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.81350013,"band_gap":0.7247000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.92e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:47.466000Z","spacegroup":1},{"id":"mp-1350429","created_at":"2022-09-04T14:48:28.766080Z","structure_string":"Ti16 O32\n1.0\n3.030680 5.098882 0.000000\n-3.030680 5.098882 0.000000\n0.000000 3.806783 19.390519\nTi O\n16 32\ndirect\n0.382599 0.849440 0.874092 Ti\n0.253814 0.253814 0.737637 Ti\n0.849440 0.382599 0.874092 Ti\n0.347748 0.347748 0.465948 Ti\n0.126310 0.627733 0.622061 Ti\n0.901176 0.901176 0.778636 Ti\n0.094462 0.094462 0.222651 Ti\n0.627733 0.126310 0.622061 Ti\n0.874219 0.378696 0.376655 Ti\n0.653746 0.653746 0.534102 Ti\n0.378696 0.874219 0.376655 Ti\n0.101235 0.628594 0.130372 Ti\n0.628594 0.101235 0.130372 Ti\n0.405243 0.405243 0.283222 Ti\n0.497096 0.497096 0.993100 Ti\n0.147620 0.147620 0.029392 Ti\n0.683867 0.233857 0.937853 O\n0.574401 0.574401 0.822888 O\n0.233857 0.683867 0.937853 O\n0.673254 0.673254 0.932661 O\n0.071949 0.071949 0.814804 O\n0.438243 0.989431 0.684922 O\n0.561824 0.048246 0.808998 O\n0.327125 0.327125 0.562863 O\n0.989431 0.438243 0.684922 O\n0.175527 0.175527 0.936402 O\n0.424925 0.424925 0.679471 O\n0.048246 0.561824 0.808998 O\n0.219000 0.679437 0.433159 O\n0.813879 0.813879 0.571526 O\n0.327095 0.786620 0.567480 O\n0.069772 0.069772 0.319630 O\n0.679437 0.219000 0.433159 O\n0.928144 0.928144 0.682645 O\n0.183406 0.183406 0.430361 O\n0.786620 0.327095 0.567480 O\n0.569192 0.569192 0.320255 O\n0.964840 0.419452 0.184740 O\n0.073589 0.528885 0.315837 O\n0.813326 0.813326 0.083649 O\n0.419452 0.964840 0.184740 O\n0.679281 0.679281 0.432839 O\n0.937851 0.937851 0.182199 O\n0.528885 0.073589 0.315837 O\n0.321355 0.321355 0.065741 O\n0.802133 0.289749 0.059916 O\n0.423877 0.423877 0.185588 O\n0.289749 0.802133 0.059916 O\n","nsites":48,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":3.540751540802004,"density_atomic":0.0800952504661518,"volume":599.2864710534211,"volume_molar":7.518723925515348,"formula_full":"Ti16 O32","formula_reduced":"TiO2","formula_anonymous":"AB2","energy":-444.14287453,"energy_per_atom":-9.252976552708333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-422.15887452999993,"band_gap":1.0603,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.008707,"is_theoretical":true,"updated_at":"2021-11-28T01:39:42.248000Z","spacegroup":8},{"id":"mp-20662","created_at":"2022-09-04T14:48:28.744890Z","structure_string":"Sn8 Pt2\n1.0\n3.267067 -5.789308 0.000000\n3.267067 5.789308 0.000000\n0.000000 0.000000 6.518976\nSn Pt\n8 2\ndirect\n0.540883 0.791689 0.166626 Sn\n0.459117 0.208311 0.166626 Sn\n0.291689 0.040883 0.666626 Sn\n0.708311 0.959117 0.666626 Sn\n0.040883 0.291689 0.333374 Sn\n0.959117 0.708311 0.333374 Sn\n0.208311 0.459117 0.833374 Sn\n0.791689 0.540883 0.833374 Sn\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n","nsites":10,"nelements":2,"elements":["Sn","Pt"],"chemical_system":"Pt-Sn","density":9.02216064493154,"density_atomic":0.040551406862484665,"volume":246.6005688510724,"volume_molar":14.850633371172297,"formula_full":"Sn8 Pt2","formula_reduced":"Sn4Pt","formula_anonymous":"AB4","energy":-47.02851517,"energy_per_atom":-4.702851517,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.02851517,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010372,"is_theoretical":false,"updated_at":"2021-11-28T01:39:18.854000Z","spacegroup":68}]}