{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10246","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10244","results":[{"id":"mp-1047384","created_at":"2022-09-04T14:42:41.847714Z","structure_string":"Bi2 F10\n1.0\n1.910273 -5.795742 0.000000\n1.910273 5.795742 0.000000\n0.000000 0.000000 8.930967\nBi F\n2 10\ndirect\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.508091 0.491909 0.250000 F\n0.491909 0.508091 0.750000 F\n0.926782 0.073218 0.592021 F\n0.073218 0.926782 0.407979 F\n0.667148 0.332852 0.935830 F\n0.332852 0.667148 0.064170 F\n0.332852 0.667148 0.435830 F\n0.667148 0.332852 0.564170 F\n0.926782 0.073218 0.907979 F\n0.073218 0.926782 0.092021 F\n","nsites":12,"nelements":2,"elements":["Bi","F"],"chemical_system":"Bi-F","density":5.10481850978885,"density_atomic":0.06068037890153622,"volume":197.75749949537973,"volume_molar":9.924362485890049,"formula_full":"Bi2 F10","formula_reduced":"BiF5","formula_anonymous":"AB5","energy":-50.92715174999999,"energy_per_atom":-4.2439293125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.30715175,"band_gap":0.4034,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001589,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.617000Z","spacegroup":63},{"id":"mp-1102021","created_at":"2022-09-04T14:42:53.657788Z","structure_string":"Tb2 P2 O8\n1.0\n-2.438299 2.438299 5.656869\n2.438299 -2.438299 5.656869\n2.438299 2.438299 -5.656869\nTb P O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500000 P\n0.500000 0.500000 0.000000 P\n0.564786 0.947626 0.864284 O\n0.083342 0.700502 0.135716 O\n0.450502 0.814786 0.117160 O\n0.697626 0.333343 0.882840 O\n0.185214 0.302374 0.635716 O\n0.666657 0.549498 0.364284 O\n0.299498 0.435214 0.382840 O\n0.052374 0.916657 0.617160 O\n","nsites":12,"nelements":3,"elements":["Tb","P","O"],"chemical_system":"O-P-Tb","density":6.267958838936494,"density_atomic":0.08920130581054424,"volume":134.52717862098285,"volume_molar":6.751180047510179,"formula_full":"Tb2 P2 O8","formula_reduced":"TbPO4","formula_anonymous":"ABC4","energy":-100.73169427,"energy_per_atom":-8.394307855833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.23569427,"band_gap":5.522099999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002883,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.010000Z","spacegroup":88},{"id":"mp-1201761","created_at":"2022-09-04T14:42:48.966075Z","structure_string":"Ba4 Cu4 Si8 O24\n1.0\n7.179647 0.000000 0.000000\n0.000000 7.179647 0.000000\n0.000000 0.000000 11.149594\nBa Cu Si O\n4 4 8 24\ndirect\n0.000000 0.500000 0.744387 Ba\n0.000000 0.500000 0.244387 Ba\n0.500000 0.000000 0.755613 Ba\n0.500000 0.000000 0.255613 Ba\n0.000000 0.000000 0.622031 Cu\n0.500000 0.500000 0.122031 Cu\n0.500000 0.500000 0.877969 Cu\n0.000000 0.000000 0.377969 Cu\n0.273827 0.273827 0.500000 Si\n0.726173 0.726173 0.500000 Si\n0.773827 0.226173 0.000000 Si\n0.226173 0.773827 0.000000 Si\n0.226173 0.226173 0.000000 Si\n0.773827 0.773827 0.000000 Si\n0.726173 0.273827 0.500000 Si\n0.273827 0.726173 0.500000 Si\n0.235258 0.500000 0.502719 O\n0.764742 0.500000 0.502719 O\n0.000000 0.264742 0.002719 O\n0.000000 0.735258 0.002719 O\n0.264742 0.000000 0.997281 O\n0.735258 0.000000 0.997281 O\n0.500000 0.235258 0.497281 O\n0.500000 0.764742 0.497281 O\n0.191454 0.806381 0.374585 O\n0.808546 0.193619 0.374585 O\n0.306381 0.308546 0.874585 O\n0.693619 0.691454 0.874585 O\n0.308546 0.693619 0.125415 O\n0.691454 0.306381 0.125415 O\n0.193619 0.191454 0.625415 O\n0.806381 0.808546 0.625415 O\n0.308546 0.306381 0.125415 O\n0.691454 0.693619 0.125415 O\n0.806381 0.191454 0.625415 O\n0.193619 0.808546 0.625415 O\n0.191454 0.193619 0.374585 O\n0.808546 0.806381 0.374585 O\n0.693619 0.308546 0.874585 O\n0.306381 0.691454 0.874585 O\n","nsites":40,"nelements":4,"elements":["Ba","Cu","Si","O"],"chemical_system":"Ba-Cu-O-Si","density":4.080076050068841,"density_atomic":0.06959767860423484,"volume":574.7318129309863,"volume_molar":8.652789691800969,"formula_full":"Ba4 Cu4 Si8 O24","formula_reduced":"BaCu(SiO3)2","formula_anonymous":"ABC2D6","energy":-299.64070001,"energy_per_atom":-7.49101750025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.15270001,"band_gap":0.0105999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0018596,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.461000Z","spacegroup":137},{"id":"mp-760506","created_at":"2022-09-04T14:42:48.958083Z","structure_string":"P6 N6 O6\n1.0\n2.342095 6.793156 0.000000\n-2.342095 6.793156 0.000000\n0.000000 5.537830 6.895777\nP N O\n6 6 6\ndirect\n0.001043 0.989722 0.250633 P\n0.080084 0.606839 0.149680 P\n0.606839 0.080084 0.649680 P\n0.397098 0.926464 0.350767 P\n0.926464 0.397098 0.850767 P\n0.989722 0.001043 0.750633 P\n0.152795 0.691392 0.221618 N\n0.924106 0.276967 0.063866 N\n0.717943 0.090688 0.434674 N\n0.691392 0.152795 0.721618 N\n0.276967 0.924106 0.563866 N\n0.090688 0.717943 0.934674 N\n0.292378 0.861310 0.287508 O\n0.340366 0.229361 0.195316 O\n0.229361 0.340366 0.695316 O\n0.765015 0.656418 0.295939 O\n0.656418 0.765015 0.795939 O\n0.861310 0.292378 0.787508 O\n","nsites":18,"nelements":3,"elements":["P","N","O"],"chemical_system":"N-O-P","density":2.768837612825392,"density_atomic":0.08203198222281571,"volume":219.42661279485242,"volume_molar":7.341210826336769,"formula_full":"P6 N6 O6","formula_reduced":"PNO","formula_anonymous":"ABC","energy":-137.65222589,"energy_per_atom":-7.6473458827777785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.36422589,"band_gap":3.964900000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001107,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.035000Z","spacegroup":9},{"id":"mp-1213948","created_at":"2022-09-04T14:42:48.959718Z","structure_string":"Ca4 Zn4 Pd4\n1.0\n4.490675 0.000000 0.000000\n0.000000 7.163688 0.000000\n0.000000 0.000000 7.696198\nCa Zn Pd\n4 4 4\ndirect\n0.250000 0.511493 0.192648 Ca\n0.750000 0.488507 0.807352 Ca\n0.750000 0.988507 0.692648 Ca\n0.250000 0.011493 0.307352 Ca\n0.250000 0.665812 0.576021 Zn\n0.750000 0.334188 0.423979 Zn\n0.750000 0.834188 0.076021 Zn\n0.250000 0.165812 0.923979 Zn\n0.250000 0.792595 0.897855 Pd\n0.750000 0.207405 0.102145 Pd\n0.750000 0.707405 0.397855 Pd\n0.250000 0.292595 0.602145 Pd\n","nsites":12,"nelements":3,"elements":["Ca","Zn","Pd"],"chemical_system":"Ca-Pd-Zn","density":5.6849921790868105,"density_atomic":0.048468181514236534,"volume":247.58510893327505,"volume_molar":12.424936467300965,"formula_full":"Ca4 Zn4 Pd4","formula_reduced":"CaZnPd","formula_anonymous":"ABC","energy":-41.43575072,"energy_per_atom":-3.452979226666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.43575072,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001172,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.685000Z","spacegroup":62},{"id":"mp-28781","created_at":"2022-09-04T14:42:42.320520Z","structure_string":"Pr1 Zr3 F15\n1.0\n4.169906 -6.261004 0.000000\n4.169906 6.261004 0.000000\n-5.230825 0.000000 5.406178\nPr Zr F\n1 3 15\ndirect\n0.493912 0.493912 0.493912 Pr\n0.855178 0.286352 0.855178 Zr\n0.286352 0.855178 0.855178 Zr\n0.855178 0.855178 0.286352 Zr\n0.598672 0.928802 0.142566 F\n0.928802 0.142566 0.598672 F\n0.142566 0.598672 0.928802 F\n0.928802 0.598672 0.142566 F\n0.596246 0.596246 0.256290 F\n0.256290 0.596246 0.596246 F\n0.596246 0.256290 0.596246 F\n0.137172 0.137172 0.359578 F\n0.359578 0.137172 0.137172 F\n0.137172 0.359578 0.137172 F\n0.678802 0.678802 0.916159 F\n0.916159 0.678802 0.678802 F\n0.678802 0.916159 0.678802 F\n0.142566 0.928802 0.598672 F\n0.598672 0.142566 0.928802 F\n","nsites":19,"nelements":3,"elements":["Pr","Zr","F"],"chemical_system":"F-Pr-Zr","density":4.115103976426595,"density_atomic":0.06730743154295252,"volume":282.2868079266265,"volume_molar":8.947215221185413,"formula_full":"Pr1 Zr3 F15","formula_reduced":"PrZr3F15","formula_anonymous":"AB3C15","energy":-137.1135973,"energy_per_atom":-7.216505121052632,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.1835973,"band_gap":5.6567,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007948,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.370000Z","spacegroup":160},{"id":"mp-1101179","created_at":"2022-09-04T14:42:42.377895Z","structure_string":"W10 O8 F44\n1.0\n-5.113024 5.113024 10.448106\n5.113024 -5.113024 10.448106\n5.113024 5.113024 -10.448106\nW O F\n10 8 44\ndirect\n0.234171 0.319484 0.496908 W\n0.262737 0.765829 0.085313 W\n0.750000 0.250000 0.500000 W\n0.927424 0.512737 0.996908 W\n0.680516 0.177424 0.914687 W\n0.069484 0.072576 0.585313 W\n0.822576 0.737263 0.503092 W\n0.000000 0.000000 0.000000 W\n0.487263 0.484171 0.414687 W\n0.515829 0.930516 0.003092 W\n0.173192 0.928855 0.106780 O\n0.678855 0.072076 0.255664 O\n0.816412 0.423192 0.744336 O\n0.927924 0.183588 0.606780 O\n0.822076 0.066412 0.893220 O\n0.933588 0.826808 0.755664 O\n0.071145 0.177924 0.244336 O\n0.576808 0.321145 0.393220 O\n0.121029 0.388543 0.570849 F\n0.074758 0.651860 0.900102 F\n0.248853 0.718120 0.899023 F\n0.348140 0.248242 0.422898 F\n0.281880 0.180903 0.530733 F\n0.400668 0.453283 0.743606 F\n0.271773 0.811766 0.266768 F\n0.342939 0.599332 0.052616 F\n0.561766 0.794998 0.039993 F\n0.449820 0.878971 0.267515 F\n0.840445 0.340445 0.500000 F\n0.659555 0.159555 0.500000 F\n0.611457 0.182306 0.732485 F\n0.755005 0.521773 0.960007 F\n0.546717 0.290323 0.947384 F\n0.544998 0.005005 0.733232 F\n0.932306 0.699820 0.070849 F\n0.709677 0.657061 0.256394 F\n0.998242 0.075344 0.400102 F\n0.650170 0.751147 0.469267 F\n0.930903 0.900170 0.399023 F\n0.825344 0.925242 0.577102 F\n0.924656 0.324758 0.922898 F\n0.819097 0.349830 0.100977 F\n0.099830 0.498853 0.030733 F\n0.751758 0.174656 0.099898 F\n0.040323 0.592939 0.243606 F\n0.817694 0.550180 0.429151 F\n0.205002 0.244995 0.766768 F\n0.203283 0.959677 0.552616 F\n0.994995 0.728227 0.539993 F\n0.138543 0.067694 0.767515 F\n0.090445 0.090445 0.000000 F\n0.909555 0.909555 0.000000 F\n0.300180 0.371029 0.232485 F\n0.188234 0.455002 0.460007 F\n0.407061 0.650668 0.447384 F\n0.478227 0.438234 0.233232 F\n0.349332 0.796717 0.756394 F\n0.468120 0.069097 0.969267 F\n0.401860 0.001758 0.077102 F\n0.501147 0.531880 0.600977 F\n0.675242 0.598140 0.599898 F\n0.628971 0.861457 0.929151 F\n","nsites":62,"nelements":3,"elements":["W","O","F"],"chemical_system":"F-O-W","density":4.259065956059004,"density_atomic":0.05674641967441773,"volume":1092.5799434699961,"volume_molar":10.612371308272838,"formula_full":"W10 O8 F44","formula_reduced":"W5(O2F11)2","formula_anonymous":"A4B5C22","energy":-420.60511771,"energy_per_atom":-6.783953511451613,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-350.40111771,"band_gap":3.5626,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001434,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.033000Z","spacegroup":88},{"id":"mp-1223500","created_at":"2022-09-04T14:42:50.916691Z","structure_string":"K1 Ba3 Bi4 O12\n1.0\n6.174105 0.000000 0.000000\n0.000000 6.250419 0.000000\n0.000000 0.000000 8.750792\nK Ba Bi O\n1 3 4 12\ndirect\n0.500000 0.003362 0.500000 K\n0.000000 0.495493 0.000000 Ba\n0.500000 0.998138 0.000000 Ba\n0.000000 0.499379 0.500000 Ba\n0.000000 0.999203 0.252468 Bi\n0.500000 0.500363 0.748459 Bi\n0.000000 0.999203 0.747532 Bi\n0.500000 0.500363 0.251541 Bi\n0.000000 0.036826 0.000000 O\n0.500000 0.542697 0.500000 O\n0.000000 0.956722 0.500000 O\n0.500000 0.454108 0.000000 O\n0.753440 0.261591 0.262983 O\n0.250165 0.741945 0.778788 O\n0.749835 0.741945 0.221212 O\n0.246560 0.261591 0.737017 O\n0.246560 0.261591 0.262983 O\n0.749835 0.741945 0.778788 O\n0.250165 0.741945 0.221212 O\n0.753440 0.261591 0.737017 O\n","nsites":20,"nelements":4,"elements":["K","Ba","Bi","O"],"chemical_system":"Ba-Bi-K-O","density":7.272519893580743,"density_atomic":0.059224239419246295,"volume":337.6995668685706,"volume_molar":10.168371631367824,"formula_full":"K1 Ba3 Bi4 O12","formula_reduced":"KBa3(BiO3)4","formula_anonymous":"AB3C4D12","energy":-123.27937759,"energy_per_atom":-6.1639688795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.03537759,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.645000Z","spacegroup":25},{"id":"mp-1223398","created_at":"2022-09-04T14:42:42.427806Z","structure_string":"K1 Na1 Ti4 P6 O24\n1.0\n8.003064 -4.281793 0.000000\n8.003064 4.281793 0.000000\n5.712223 0.000000 7.053602\nK Na Ti P O\n1 1 4 6 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Na\n0.352871 0.352871 0.352871 Ti\n0.852347 0.852347 0.852347 Ti\n0.647129 0.647129 0.647129 Ti\n0.147653 0.147653 0.147653 Ti\n0.532771 0.965956 0.250300 P\n0.250300 0.532771 0.965956 P\n0.965956 0.250300 0.532771 P\n0.749700 0.467229 0.034044 P\n0.034044 0.749700 0.467229 P\n0.467229 0.034044 0.749700 P\n0.992738 0.236762 0.357011 O\n0.357011 0.992738 0.236762 O\n0.236762 0.357011 0.992738 O\n0.858740 0.735564 0.492211 O\n0.492211 0.858740 0.735564 O\n0.735564 0.492211 0.858740 O\n0.007262 0.763238 0.642989 O\n0.642989 0.007262 0.763238 O\n0.763238 0.642989 0.007262 O\n0.141260 0.264436 0.507789 O\n0.507789 0.141260 0.264436 O\n0.264436 0.507789 0.141260 O\n0.788943 0.428367 0.563289 O\n0.563289 0.788943 0.428367 O\n0.428367 0.563289 0.788943 O\n0.064736 0.928247 0.292951 O\n0.292951 0.064736 0.928247 O\n0.928247 0.292951 0.064736 O\n0.211057 0.571633 0.436711 O\n0.436711 0.211057 0.571633 O\n0.571633 0.436711 0.211057 O\n0.935264 0.071753 0.707049 O\n0.707049 0.935264 0.071753 O\n0.071753 0.707049 0.935264 O\n","nsites":36,"nelements":5,"elements":["K","Na","Ti","P","O"],"chemical_system":"K-Na-O-P-Ti","density":2.828321298110173,"density_atomic":0.07446969864771771,"volume":483.4180969403359,"volume_molar":8.086699515850077,"formula_full":"K1 Na1 Ti4 P6 O24","formula_reduced":"KNaTi4(PO4)6","formula_anonymous":"ABC4D6E24","energy":-294.06463541000005,"energy_per_atom":-8.168462094722223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-277.57663541,"band_gap":2.4827,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0269307,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.390000Z","spacegroup":148},{"id":"mp-1188286","created_at":"2022-09-04T14:42:53.151392Z","structure_string":"Tb4 Ge10 Rh6\n1.0\n6.054410 5.795104 0.000000\n-6.054410 5.795104 0.000000\n0.000000 2.893298 5.206581\nTb Ge Rh\n4 10 6\ndirect\n0.865208 0.592715 0.767101 Tb\n0.407285 0.134792 0.732899 Tb\n0.134792 0.407285 0.232899 Tb\n0.592715 0.865208 0.267101 Tb\n0.070067 0.262827 0.833536 Ge\n0.737173 0.929933 0.666464 Ge\n0.929933 0.737173 0.166464 Ge\n0.262827 0.070067 0.333536 Ge\n0.213076 0.786924 0.750000 Ge\n0.786924 0.213076 0.250000 Ge\n0.507188 0.492812 0.750000 Ge\n0.492812 0.507188 0.250000 Ge\n0.777715 0.222285 0.750000 Ge\n0.222285 0.777715 0.250000 Ge\n0.255070 0.539755 0.616964 Rh\n0.460245 0.744930 0.883036 Rh\n0.744930 0.460245 0.383036 Rh\n0.539755 0.255070 0.116964 Rh\n0.001587 0.998413 0.750000 Rh\n0.998413 0.001587 0.250000 Rh\n","nsites":20,"nelements":3,"elements":["Tb","Ge","Rh"],"chemical_system":"Ge-Rh-Tb","density":8.996973967121392,"density_atomic":0.05474119940808752,"volume":365.3555314143369,"volume_molar":11.001112188108692,"formula_full":"Tb4 Ge10 Rh6","formula_reduced":"Tb2Ge5Rh3","formula_anonymous":"A2B3C5","energy":-124.79254586,"energy_per_atom":-6.239627293,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.79254586,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.68e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.825000Z","spacegroup":15},{"id":"mp-30657","created_at":"2022-09-04T14:42:50.941997Z","structure_string":"Ti1 Ga1 Ni2\n1.0\n0.000000 2.943221 2.943221\n2.943221 0.000000 2.943221\n2.943221 2.943221 0.000000\nTi Ga Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n","nsites":4,"nelements":3,"elements":["Ti","Ga","Ni"],"chemical_system":"Ga-Ni-Ti","density":7.652008896788383,"density_atomic":0.07844429695043378,"volume":50.99159729262996,"volume_molar":7.676964411836314,"formula_full":"Ti1 Ga1 Ni2","formula_reduced":"TiGaNi2","formula_anonymous":"ABC2","energy":-24.64785176,"energy_per_atom":-6.16196294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.64785176,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.41e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.072000Z","spacegroup":225},{"id":"mp-1213236","created_at":"2022-09-04T14:42:41.819862Z","structure_string":"La4 P12 O56\n1.0\n7.027589 0.000000 0.000000\n0.000000 13.072740 0.000000\n0.000000 0.000000 13.706809\nLa P O\n4 12 56\ndirect\n0.177325 0.271858 0.193796 La\n0.177325 0.728142 0.806204 La\n0.822675 0.228142 0.693796 La\n0.822675 0.771858 0.306204 La\n0.063785 0.023394 0.312854 P\n0.063785 0.976606 0.687146 P\n0.936215 0.476606 0.812854 P\n0.936215 0.523394 0.187146 P\n0.057340 0.197940 0.450404 P\n0.057340 0.802060 0.549596 P\n0.942660 0.302060 0.950404 P\n0.942660 0.697940 0.049596 P\n0.296190 0.154492 0.623305 P\n0.296190 0.845508 0.376695 P\n0.703810 0.345508 0.123305 P\n0.703810 0.654492 0.876695 P\n0.094684 0.271723 0.021793 O\n0.094684 0.728277 0.978207 O\n0.905316 0.228277 0.521793 O\n0.905316 0.771723 0.478207 O\n0.505356 0.247532 0.320780 O\n0.505356 0.752468 0.679220 O\n0.494644 0.252468 0.820780 O\n0.494644 0.747532 0.179220 O\n0.163321 0.221260 0.680772 O\n0.163321 0.778740 0.319228 O\n0.836679 0.278740 0.180772 O\n0.836679 0.721260 0.819228 O\n0.346392 0.562913 0.386898 O\n0.346392 0.437087 0.613102 O\n0.653608 0.937087 0.886898 O\n0.653608 0.062913 0.113102 O\n0.322926 0.123739 0.874441 O\n0.322926 0.876261 0.125559 O\n0.677074 0.376261 0.374441 O\n0.677074 0.623739 0.625559 O\n0.250443 0.034987 0.645016 O\n0.250443 0.965013 0.354984 O\n0.749557 0.465013 0.145016 O\n0.749557 0.534987 0.854984 O\n0.109309 0.269586 0.369611 O\n0.109309 0.730414 0.630389 O\n0.890691 0.230414 0.869611 O\n0.890691 0.769586 0.130389 O\n0.493545 0.331494 0.136610 O\n0.493545 0.668506 0.863390 O\n0.506455 0.168506 0.636610 O\n0.506455 0.831494 0.363390 O\n0.130344 0.093880 0.233218 O\n0.130344 0.906120 0.766782 O\n0.869656 0.406120 0.733218 O\n0.869656 0.593880 0.266782 O\n0.252375 0.167330 0.507992 O\n0.252375 0.832670 0.492008 O\n0.747625 0.332670 0.007992 O\n0.747625 0.667330 0.992008 O\n0.005739 0.588068 0.093447 O\n0.005739 0.411932 0.906553 O\n0.994261 0.911932 0.593447 O\n0.994261 0.088068 0.406553 O\n0.092657 0.448573 0.208311 O\n0.092657 0.551427 0.791689 O\n0.907343 0.051427 0.708311 O\n0.907343 0.948573 0.291689 O\n0.485383 0.081558 0.095045 O\n0.485383 0.918442 0.904955 O\n0.514617 0.418442 0.595045 O\n0.514617 0.581558 0.404955 O\n0.513072 0.337259 0.361958 O\n0.513072 0.662741 0.638042 O\n0.486928 0.162741 0.861958 O\n0.486928 0.837259 0.138042 O\n","nsites":72,"nelements":3,"elements":["La","P","O"],"chemical_system":"La-O-P","density":2.4043160748620775,"density_atomic":0.05717723599274456,"volume":1259.2424021534787,"volume_molar":10.532409717678856,"formula_full":"La4 P12 O56","formula_reduced":"LaP3O14","formula_anonymous":"AB3C14","energy":-485.81717423,"energy_per_atom":-6.747460753194444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-485.81717423,"band_gap":0.6291,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.52e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.049000Z","spacegroup":18}]}