{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=10230","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=10228","results":[{"id":"mp-17486","created_at":"2022-09-04T14:40:08.010292Z","structure_string":"Ho6 Cu2 Si2 S14\n1.0\n4.924694 -8.529821 0.000000\n4.924694 8.529821 0.000000\n0.000000 0.000000 5.703853\nHo Cu Si S\n6 2 2 14\ndirect\n0.869637 0.642662 0.242423 Ho\n0.226976 0.869637 0.742423 Ho\n0.642662 0.773024 0.742423 Ho\n0.357338 0.226976 0.242423 Ho\n0.773024 0.130363 0.242423 Ho\n0.130363 0.357338 0.742423 Ho\n0.000000 0.000000 0.192277 Cu\n0.000000 0.000000 0.692277 Cu\n0.333333 0.666667 0.331137 Si\n0.666667 0.333333 0.831137 Si\n0.105445 0.582516 0.481751 S\n0.894555 0.417484 0.981751 S\n0.582516 0.477071 0.981751 S\n0.477071 0.894555 0.481751 S\n0.162781 0.903623 0.211451 S\n0.259158 0.162781 0.711451 S\n0.522929 0.105445 0.981751 S\n0.417484 0.522929 0.481751 S\n0.333333 0.666667 0.960413 S\n0.666667 0.333333 0.460413 S\n0.837219 0.096377 0.711451 S\n0.740842 0.837219 0.211451 S\n0.096377 0.259158 0.211451 S\n0.903623 0.740842 0.711451 S\n","nsites":24,"nelements":4,"elements":["Ho","Cu","Si","S"],"chemical_system":"Cu-Ho-S-Si","density":5.619747899881113,"density_atomic":0.050083394204338355,"volume":479.2007486968816,"volume_molar":12.024226503958365,"formula_full":"Ho6 Cu2 Si2 S14","formula_reduced":"Ho3CuSiS7","formula_anonymous":"ABC3D7","energy":-147.74872584,"energy_per_atom":-6.156196909999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.70672584,"band_gap":1.8225,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.241000Z","spacegroup":173},{"id":"mp-1187980","created_at":"2022-09-04T14:43:58.150601Z","structure_string":"Yb6 Pb2\n1.0\n3.555851 -6.158914 0.000000\n3.555851 6.158914 0.000000\n0.000000 0.000000 5.672546\nYb Pb\n6 2\ndirect\n0.171764 0.343527 0.250000 Yb\n0.656473 0.828236 0.250000 Yb\n0.171764 0.828236 0.250000 Yb\n0.828236 0.656473 0.750000 Yb\n0.343527 0.171764 0.750000 Yb\n0.828236 0.171764 0.750000 Yb\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n","nsites":8,"nelements":2,"elements":["Yb","Pb"],"chemical_system":"Pb-Yb","density":9.708483118657847,"density_atomic":0.032198398461750134,"volume":248.45956265506638,"volume_molar":18.703230743460615,"formula_full":"Yb6 Pb2","formula_reduced":"Yb3Pb","formula_anonymous":"AB3","energy":-19.73409615,"energy_per_atom":-2.46676201875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.73409615,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.863000Z","spacegroup":194},{"id":"mp-17513","created_at":"2022-09-04T14:43:52.482330Z","structure_string":"Ba8 Tb4 Cd6 S20\n1.0\n2.095457 -9.135054 0.000000\n2.095457 9.135054 0.000000\n0.000000 0.000000 26.942825\nBa Tb Cd S\n8 4 6 20\ndirect\n0.594767 0.405233 0.339326 Ba\n0.405233 0.594767 0.839326 Ba\n0.575618 0.424382 0.156201 Ba\n0.424382 0.575618 0.656201 Ba\n0.162614 0.837386 0.611224 Ba\n0.837386 0.162614 0.111224 Ba\n0.161887 0.838113 0.890109 Ba\n0.838113 0.161887 0.390109 Ba\n0.502821 0.497179 0.499905 Tb\n0.497179 0.502821 0.999905 Tb\n0.078766 0.921234 0.753302 Tb\n0.921234 0.078766 0.253302 Tb\n0.217316 0.782684 0.231738 Cd\n0.782684 0.217316 0.731738 Cd\n0.159001 0.840999 0.462004 Cd\n0.840999 0.159001 0.962004 Cd\n0.153704 0.846296 0.043972 Cd\n0.846296 0.153704 0.543972 Cd\n0.423660 0.576340 0.320519 S\n0.576340 0.423660 0.820519 S\n0.410598 0.589402 0.184323 S\n0.589402 0.410598 0.684323 S\n0.349854 0.650146 0.489201 S\n0.650146 0.349854 0.989201 S\n0.346964 0.653036 0.018794 S\n0.653036 0.346964 0.518794 S\n0.230047 0.769953 0.765999 S\n0.769953 0.230047 0.265999 S\n0.211085 0.788915 0.378000 S\n0.788915 0.211085 0.878000 S\n0.207430 0.792570 0.131146 S\n0.792570 0.207430 0.631146 S\n0.073334 0.926666 0.247171 S\n0.926666 0.073334 0.747171 S\n0.015792 0.984208 0.433337 S\n0.984208 0.015792 0.933337 S\n0.988723 0.011277 0.570648 S\n0.011277 0.988723 0.070648 S\n","nsites":38,"nelements":4,"elements":["Ba","Tb","Cd","S"],"chemical_system":"Ba-Cd-S-Tb","density":4.910184533033706,"density_atomic":0.03684008287043748,"volume":1031.4851932782512,"volume_molar":16.346707962572193,"formula_full":"Ba8 Tb4 Cd6 S20","formula_reduced":"Ba4Tb2Cd3S10","formula_anonymous":"A2B3C4D10","energy":-194.16304596,"energy_per_atom":-5.109553841052632,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.10304596,"band_gap":1.9184,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.878000Z","spacegroup":36},{"id":"mp-17966","created_at":"2022-09-04T14:46:34.008304Z","structure_string":"K4 In4 P8 O28\n1.0\n10.610272 0.000000 0.000000\n0.000000 7.556360 0.000000\n0.000000 2.510688 8.207826\nK In P O\n4 4 8 28\ndirect\n0.320835 0.173110 0.436445 K\n0.679165 0.826890 0.563555 K\n0.820835 0.826890 0.063555 K\n0.179165 0.173110 0.936445 K\n0.399597 0.763507 0.257003 In\n0.899597 0.236493 0.242997 In\n0.600403 0.236493 0.742997 In\n0.100403 0.763507 0.757003 In\n0.138097 0.558161 0.194056 P\n0.638097 0.441839 0.305944 P\n0.861903 0.441839 0.805944 P\n0.361903 0.558161 0.694056 P\n0.400007 0.871741 0.822028 P\n0.099993 0.871741 0.322028 P\n0.599993 0.128259 0.177972 P\n0.900007 0.128259 0.677972 P\n0.096480 0.868767 0.498160 O\n0.596480 0.131233 0.001840 O\n0.903520 0.131233 0.501840 O\n0.403520 0.868767 0.998160 O\n0.081249 0.363425 0.240443 O\n0.581249 0.636575 0.259557 O\n0.918751 0.636575 0.759557 O\n0.418751 0.363425 0.740443 O\n0.106437 0.676917 0.022293 O\n0.606437 0.323083 0.477707 O\n0.893563 0.323083 0.977707 O\n0.393563 0.676917 0.522293 O\n0.071887 0.661832 0.315633 O\n0.571887 0.338168 0.184367 O\n0.928113 0.338168 0.684367 O\n0.428113 0.661832 0.815633 O\n0.220700 0.538364 0.737869 O\n0.720700 0.461636 0.762131 O\n0.779300 0.461636 0.262131 O\n0.279300 0.538364 0.237869 O\n0.503658 0.991962 0.717155 O\n0.003658 0.008038 0.782845 O\n0.496342 0.008038 0.282845 O\n0.996342 0.991962 0.217155 O\n0.270130 0.931620 0.743390 O\n0.770130 0.068380 0.756610 O\n0.729870 0.068380 0.256610 O\n0.229870 0.931620 0.243390 O\n","nsites":44,"nelements":4,"elements":["K","In","P","O"],"chemical_system":"In-K-O-P","density":3.309251133813051,"density_atomic":0.06686292594353924,"volume":658.0627362487056,"volume_molar":9.006696424091954,"formula_full":"K4 In4 P8 O28","formula_reduced":"KInP2O7","formula_anonymous":"ABC2D7","energy":-312.34164212,"energy_per_atom":-7.098673684545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-293.10564212,"band_gap":3.844700000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":false,"updated_at":"2021-11-28T01:37:32.508000Z","spacegroup":14},{"id":"mp-1080572","created_at":"2022-09-04T14:43:07.707350Z","structure_string":"Nd2 Co2 Ge4\n1.0\n2.130282 -8.321048 0.000000\n2.130282 8.321048 0.000000\n0.000000 0.000000 4.235319\nNd Co Ge\n2 2 4\ndirect\n0.892505 0.107495 0.750000 Nd\n0.107495 0.892505 0.250000 Nd\n0.683219 0.316781 0.750000 Co\n0.316781 0.683219 0.250000 Co\n0.545788 0.454212 0.750000 Ge\n0.454212 0.545788 0.250000 Ge\n0.250257 0.749743 0.750000 Ge\n0.749743 0.250257 0.250000 Ge\n","nsites":8,"nelements":3,"elements":["Nd","Co","Ge"],"chemical_system":"Co-Ge-Nd","density":7.7071673571774335,"density_atomic":0.05327932815217666,"volume":150.15204353084866,"volume_molar":11.302959269305225,"formula_full":"Nd2 Co2 Ge4","formula_reduced":"NdCoGe2","formula_anonymous":"ABC2","energy":-47.51698804,"energy_per_atom":-5.939623505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.51698804,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.219000Z","spacegroup":63},{"id":"mp-559493","created_at":"2022-09-04T14:43:56.079051Z","structure_string":"Ti8 P8 Cl56 O8\n1.0\n13.034221 0.000000 0.000000\n0.000000 13.162022 0.000000\n0.000000 0.000000 14.091866\nTi P Cl O\n8 8 56 8\ndirect\n0.936857 0.865646 0.000775 Ti\n0.063143 0.365646 0.499225 Ti\n0.063143 0.134354 0.999225 Ti\n0.563143 0.134354 0.500775 Ti\n0.936857 0.634354 0.500775 Ti\n0.563143 0.365646 0.000775 Ti\n0.436857 0.865646 0.499225 Ti\n0.436857 0.634354 0.999225 Ti\n0.684789 0.066790 0.716469 P\n0.184789 0.433210 0.283531 P\n0.815211 0.566790 0.716469 P\n0.815211 0.933210 0.216469 P\n0.684789 0.433210 0.216469 P\n0.315211 0.566790 0.783531 P\n0.184789 0.066790 0.783531 P\n0.315211 0.933210 0.283531 P\n0.229020 0.170422 0.023570 Cl\n0.772974 0.186293 0.743095 Cl\n0.880084 0.970099 0.338978 Cl\n0.399592 0.047927 0.541984 Cl\n0.781292 0.954773 0.684967 Cl\n0.770980 0.670422 0.476430 Cl\n0.100408 0.547927 0.541984 Cl\n0.119916 0.470099 0.161022 Cl\n0.490229 0.720962 0.431592 Cl\n0.509771 0.279038 0.568408 Cl\n0.509659 0.169529 0.353916 Cl\n0.490229 0.779038 0.931592 Cl\n0.772974 0.313707 0.243095 Cl\n0.009771 0.220962 0.431592 Cl\n0.119916 0.029901 0.661022 Cl\n0.270980 0.829578 0.523570 Cl\n0.990341 0.830471 0.853916 Cl\n0.218708 0.045227 0.315033 Cl\n0.009659 0.330471 0.646084 Cl\n0.729020 0.329578 0.976430 Cl\n0.509659 0.330471 0.853916 Cl\n0.600408 0.952073 0.458016 Cl\n0.270980 0.670422 0.023570 Cl\n0.227026 0.813707 0.256905 Cl\n0.281292 0.954773 0.815033 Cl\n0.990229 0.779038 0.568408 Cl\n0.218708 0.454773 0.815033 Cl\n0.229020 0.329578 0.523570 Cl\n0.899592 0.047927 0.958016 Cl\n0.227026 0.686293 0.756905 Cl\n0.100408 0.952073 0.041984 Cl\n0.770980 0.829578 0.976430 Cl\n0.718708 0.454773 0.684967 Cl\n0.781292 0.545227 0.184967 Cl\n0.380084 0.529901 0.661022 Cl\n0.490341 0.669529 0.146084 Cl\n0.718708 0.045227 0.184967 Cl\n0.880084 0.529901 0.838978 Cl\n0.281292 0.545227 0.315033 Cl\n0.729020 0.170422 0.476430 Cl\n0.619916 0.470099 0.338978 Cl\n0.990341 0.669529 0.353916 Cl\n0.600408 0.547927 0.958016 Cl\n0.380084 0.970099 0.161022 Cl\n0.490341 0.830471 0.646084 Cl\n0.009659 0.169529 0.146084 Cl\n0.009771 0.279038 0.931592 Cl\n0.727026 0.686293 0.743095 Cl\n0.509771 0.220962 0.068408 Cl\n0.990229 0.720962 0.068408 Cl\n0.272974 0.313707 0.256905 Cl\n0.899592 0.452073 0.458016 Cl\n0.272974 0.186293 0.756905 Cl\n0.727026 0.813707 0.243095 Cl\n0.399592 0.452073 0.041984 Cl\n0.619916 0.029901 0.838978 Cl\n0.893819 0.915313 0.141919 O\n0.606181 0.084687 0.641919 O\n0.106181 0.084687 0.858081 O\n0.893819 0.584687 0.641919 O\n0.606181 0.415313 0.141919 O\n0.393819 0.584687 0.858081 O\n0.106181 0.415313 0.358081 O\n0.393819 0.915313 0.358081 O\n","nsites":80,"nelements":4,"elements":["Ti","P","Cl","O"],"chemical_system":"Cl-O-P-Ti","density":1.8848254605377772,"density_atomic":0.033091296997830276,"volume":2417.554077896839,"volume_molar":18.19856369000846,"formula_full":"Ti8 P8 Cl56 O8","formula_reduced":"TiPCl7O","formula_anonymous":"ABCD7","energy":-396.62913646999993,"energy_per_atom":-4.9578642058749995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-356.74913646999994,"band_gap":2.6085000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.330000Z","spacegroup":61},{"id":"mp-1026560","created_at":"2022-09-04T14:47:14.896739Z","structure_string":"Sr1 Mg14 B1\n1.0\n6.412149 0.000000 0.000000\n-3.206075 5.553083 -0.000000\n0.000000 0.000000 10.429249\nSr Mg B\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Sr\n0.179477 0.839738 0.125000 Mg\n0.156732 0.828366 0.625000 Mg\n0.660262 0.320523 0.125000 Mg\n0.671634 0.343268 0.625000 Mg\n0.660262 0.839738 0.125000 Mg\n0.671634 0.828366 0.625000 Mg\n0.329198 0.170802 0.398446 Mg\n0.329198 0.170802 0.851554 Mg\n0.329198 0.658398 0.398446 Mg\n0.329198 0.658398 0.851554 Mg\n0.841602 0.170802 0.398446 Mg\n0.841602 0.170802 0.851554 Mg\n0.833333 0.666667 0.365830 Mg\n0.833333 0.666667 0.884170 Mg\n0.166667 0.333333 0.625000 B\n","nsites":16,"nelements":3,"elements":["Sr","Mg","B"],"chemical_system":"B-Mg-Sr","density":1.961674357180411,"density_atomic":0.04308530542052264,"volume":371.35630916007824,"volume_molar":13.977249786725428,"formula_full":"Sr1 Mg14 B1","formula_reduced":"SrMg14B","formula_anonymous":"ABC14","energy":-27.11346947,"energy_per_atom":-1.694591841875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.11346947,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.148000Z","spacegroup":187},{"id":"mp-6653","created_at":"2022-09-04T14:45:55.218868Z","structure_string":"Ba2 Er1 Nb1 O6\n1.0\n0.000000 4.260511 4.260511\n4.260511 0.000000 4.260511\n4.260511 4.260511 0.000000\nBa Er Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Nb\n0.738041 0.738041 0.261959 O\n0.738041 0.261959 0.738041 O\n0.261959 0.738041 0.261959 O\n0.738041 0.261959 0.261959 O\n0.261959 0.261959 0.738041 O\n0.261959 0.738041 0.738041 O\n","nsites":10,"nelements":4,"elements":["Ba","Er","Nb","O"],"chemical_system":"Ba-Er-Nb-O","density":6.772306073879823,"density_atomic":0.0646524417331495,"volume":154.67319921611963,"volume_molar":9.314637774789942,"formula_full":"Ba2 Er1 Nb1 O6","formula_reduced":"Ba2ErNbO6","formula_anonymous":"ABC2D6","energy":-82.99404884,"energy_per_atom":-8.299404884000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.87204884,"band_gap":2.8542,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001643,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.434000Z","spacegroup":225},{"id":"mp-315","created_at":"2022-09-04T14:39:43.686311Z","structure_string":"Pb1 F2\n1.0\n0.000000 2.998629 2.998629\n2.998629 0.000000 2.998629\n2.998629 2.998629 0.000000\nPb F\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.750000 0.750000 0.750000 F\n0.250000 0.250000 0.250000 F\n","nsites":3,"nelements":2,"elements":["Pb","F"],"chemical_system":"F-Pb","density":7.550325952759585,"density_atomic":0.055631791891616364,"volume":53.92599982838403,"volume_molar":10.82499871967548,"formula_full":"Pb1 F2","formula_reduced":"PbF2","formula_anonymous":"AB2","energy":-15.58279111,"energy_per_atom":-5.194263703333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.65879111,"band_gap":4.3938,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001643,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.381000Z","spacegroup":225},{"id":"mp-1194866","created_at":"2022-09-04T14:43:04.466531Z","structure_string":"Ca12 Si8 P16\n1.0\n17.282624 0.000000 0.000000\n0.000000 6.950593 0.000000\n0.000000 2.629004 6.597810\nCa Si P\n12 8 16\ndirect\n0.316105 0.487659 0.215342 Ca\n0.816105 0.012341 0.784658 Ca\n0.683895 0.512341 0.784658 Ca\n0.183895 0.987659 0.215342 Ca\n0.062261 0.487713 0.256578 Ca\n0.562261 0.012287 0.743422 Ca\n0.937739 0.512287 0.743422 Ca\n0.437739 0.987713 0.256578 Ca\n0.558107 0.495059 0.261274 Ca\n0.058107 0.004941 0.738726 Ca\n0.441893 0.504941 0.738726 Ca\n0.941893 0.995059 0.261274 Ca\n0.741897 0.085452 0.316834 Si\n0.241897 0.414548 0.683166 Si\n0.258103 0.914548 0.683166 Si\n0.758103 0.585452 0.316834 Si\n0.871617 0.471399 0.212104 Si\n0.371617 0.028601 0.787896 Si\n0.128383 0.528601 0.787896 Si\n0.628383 0.971399 0.212104 Si\n0.698856 0.276063 0.500919 P\n0.198856 0.223937 0.499081 P\n0.301144 0.723937 0.499081 P\n0.801144 0.776063 0.500919 P\n0.814102 0.279116 0.044053 P\n0.314102 0.220884 0.955947 P\n0.185898 0.720884 0.955947 P\n0.685898 0.779116 0.044053 P\n0.931580 0.259734 0.494113 P\n0.431580 0.240266 0.505887 P\n0.068420 0.740266 0.505887 P\n0.568420 0.759734 0.494113 P\n0.561127 0.244575 0.009476 P\n0.061127 0.255425 0.990524 P\n0.438873 0.755425 0.990524 P\n0.938873 0.744575 0.009476 P\n","nsites":36,"nelements":3,"elements":["Ca","Si","P"],"chemical_system":"Ca-P-Si","density":2.5167098297836503,"density_atomic":0.045422512776432625,"volume":792.5585309907938,"volume_molar":13.258052872681617,"formula_full":"Ca12 Si8 P16","formula_reduced":"Ca3(SiP2)2","formula_anonymous":"A2B3C4","energy":-185.92665957,"energy_per_atom":-5.1646294325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.92665957,"band_gap":0.8441999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001643,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.078000Z","spacegroup":14},{"id":"mp-1210837","created_at":"2022-09-04T14:40:00.789865Z","structure_string":"Lu2 Hf2 F14\n1.0\n0.000000 -5.593020 0.000000\n-5.819828 0.000000 1.317972\n-0.091652 0.000000 -8.134633\nLu Hf F\n2 2 14\ndirect\n0.696737 0.654293 0.682845 Lu\n0.196737 0.345707 0.317155 Lu\n0.707125 0.811643 0.223876 Hf\n0.207125 0.188357 0.776124 Hf\n0.890224 0.455014 0.478221 F\n0.390224 0.544986 0.521779 F\n0.428914 0.921801 0.767492 F\n0.928914 0.078199 0.232508 F\n0.943406 0.954924 0.759683 F\n0.443406 0.045076 0.240317 F\n0.992607 0.459590 0.787063 F\n0.492607 0.540410 0.212937 F\n0.702917 0.755097 0.973990 F\n0.202917 0.244903 0.026010 F\n0.709343 0.861485 0.475271 F\n0.209343 0.138515 0.524729 F\n0.505087 0.381031 0.780803 F\n0.005087 0.618969 0.219197 F\n","nsites":18,"nelements":3,"elements":["Lu","Hf","F"],"chemical_system":"F-Hf-Lu","density":6.085725825135732,"density_atomic":0.06780649824439669,"volume":265.46128270954415,"volume_molar":8.881362282261271,"formula_full":"Lu2 Hf2 F14","formula_reduced":"LuHfF7","formula_anonymous":"ABC7","energy":-133.54090643,"energy_per_atom":-7.418939246111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.07290643,"band_gap":6.9578,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001643,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.759000Z","spacegroup":4},{"id":"mp-753623","created_at":"2022-09-04T14:46:25.768267Z","structure_string":"Li4 Cu8 S6\n1.0\n4.644496 5.630120 0.000000\n-4.644496 5.630120 0.000000\n0.000000 2.853458 5.324673\nLi Cu S\n4 8 6\ndirect\n0.596640 0.723059 0.332814 Li\n0.723059 0.596640 0.832814 Li\n0.276941 0.403360 0.167186 Li\n0.403360 0.276941 0.667186 Li\n0.412067 0.879746 0.884530 Cu\n0.879746 0.412067 0.384530 Cu\n0.985887 0.251410 0.034285 Cu\n0.251410 0.985887 0.534285 Cu\n0.748590 0.014113 0.465715 Cu\n0.014113 0.748590 0.965715 Cu\n0.120254 0.587933 0.615470 Cu\n0.587933 0.120254 0.115470 Cu\n0.269733 0.088390 0.116895 S\n0.088390 0.269733 0.616895 S\n0.660029 0.339971 0.250000 S\n0.339971 0.660029 0.750000 S\n0.911610 0.730267 0.383105 S\n0.730267 0.911610 0.883105 S\n","nsites":18,"nelements":3,"elements":["Li","Cu","S"],"chemical_system":"Cu-Li-S","density":4.3442277593382475,"density_atomic":0.06463880558815709,"volume":278.47049208622605,"volume_molar":9.31660278249844,"formula_full":"Li4 Cu8 S6","formula_reduced":"Li2Cu4S3","formula_anonymous":"A2B3C4","energy":-76.60101181,"energy_per_atom":-4.255611767222223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.58301181,"band_gap":0.6691000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001643,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.504000Z","spacegroup":15}]}