{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=24","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=22","results":[{"id":"mp-1208503","created_at":"2022-09-04T14:46:59.497975Z","structure_string":"Tb6 Sb10 O24\n1.0\n-5.452419 5.452419 5.452419\n5.452419 -5.452419 5.452419\n5.452419 5.452419 -5.452419\nTb Sb O\n6 10 24\ndirect\n0.250000 0.750000 0.500000 Tb\n0.750000 0.250000 0.500000 Tb\n0.750000 0.500000 0.250000 Tb\n0.250000 0.500000 0.750000 Tb\n0.500000 0.250000 0.750000 Tb\n0.500000 0.750000 0.250000 Tb\n0.512728 0.512728 0.512728 Sb\n0.487272 0.000000 0.000000 Sb\n0.000000 0.487272 0.000000 Sb\n0.000000 0.000000 0.487272 Sb\n0.716779 0.716779 0.000000 Sb\n0.283221 0.283221 0.000000 Sb\n0.716779 0.000000 0.716779 Sb\n0.283221 0.000000 0.283221 Sb\n0.000000 0.716779 0.716779 Sb\n0.000000 0.283221 0.283221 Sb\n0.798470 0.502687 0.502687 O\n0.201530 0.704217 0.704217 O\n0.000000 0.497313 0.295783 O\n0.502687 0.502687 0.798470 O\n0.000000 0.295783 0.497313 O\n0.704217 0.704217 0.201530 O\n0.497313 0.295783 0.000000 O\n0.295783 0.497313 0.000000 O\n0.502687 0.798470 0.502687 O\n0.295783 0.000000 0.497313 O\n0.497313 0.000000 0.295783 O\n0.704217 0.201530 0.704217 O\n0.277272 0.478594 0.478594 O\n0.722728 0.201321 0.201321 O\n0.000000 0.521406 0.798679 O\n0.478594 0.478594 0.277272 O\n0.000000 0.798679 0.521406 O\n0.201321 0.201321 0.722728 O\n0.521406 0.798679 0.000000 O\n0.798679 0.521406 0.000000 O\n0.478594 0.277272 0.478594 O\n0.798679 0.000000 0.521406 O\n0.521406 0.000000 0.798679 O\n0.201321 0.722728 0.201321 O\n","nsites":40,"nelements":3,"elements":["Tb","Sb","O"],"chemical_system":"O-Sb-Tb","density":6.543886354090778,"density_atomic":0.06169249470256965,"volume":648.3770869187091,"volume_molar":9.761545207458054,"formula_full":"Tb6 Sb10 O24","formula_reduced":"Tb3Sb5O12","formula_anonymous":"A3B5C12","energy":-294.2962435,"energy_per_atom":-7.3574060875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-277.8082435,"band_gap":3.1414000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004604,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.816000Z","spacegroup":217},{"id":"mp-1234624","created_at":"2022-09-04T14:46:59.739080Z","structure_string":"Mg1 Ti3 Fe2 Co1 P6 O24\n1.0\n8.679328 -0.039809 -0.020411\n4.341880 -7.608855 -0.009969\n4.336054 -2.561141 -7.144766\nMg Ti Fe Co P O\n1 3 2 1 6 24\ndirect\n0.627152 0.126130 0.124346 Mg\n0.072045 0.642688 0.643202 Ti\n0.452945 0.849330 0.847937 Ti\n0.905600 0.365546 0.365152 Ti\n0.024822 0.990968 0.990350 Fe\n0.497577 0.501239 0.502015 Fe\n0.268276 0.238871 0.243709 Co\n0.265708 0.246393 0.542446 P\n0.262564 0.945114 0.244989 P\n0.264902 0.544087 0.946992 P\n0.765137 0.453285 0.035381 P\n0.766366 0.034421 0.747131 P\n0.763486 0.746760 0.453580 P\n0.087127 0.111101 0.303471 O\n0.088700 0.495166 0.113525 O\n0.089085 0.306110 0.492536 O\n0.250056 0.083637 0.732780 O\n0.437604 0.192933 0.375742 O\n0.277842 0.406249 0.562783 O\n0.246789 0.932284 0.082901 O\n0.274230 0.754201 0.406500 O\n0.586898 0.605029 0.986435 O\n0.276219 0.563629 0.754885 O\n0.804050 0.259322 0.041680 O\n0.587128 0.986708 0.823057 O\n0.436442 0.993842 0.189509 O\n0.250305 0.734953 0.931190 O\n0.730571 0.444414 0.234113 O\n0.437230 0.378041 0.996706 O\n0.731598 0.233669 0.592897 O\n0.806547 0.040225 0.896769 O\n0.725770 0.592257 0.446813 O\n0.585828 0.823589 0.603648 O\n0.803394 0.895912 0.258819 O\n0.937296 0.659168 0.514458 O\n0.939125 0.513269 0.889084 O\n0.939207 0.888036 0.661040 O\n","nsites":37,"nelements":6,"elements":["Mg","Ti","Fe","Co","P","O"],"chemical_system":"Co-Fe-Mg-O-P-Ti","density":3.2097110098845643,"density_atomic":0.0787339093341307,"volume":469.9372902084606,"volume_molar":7.648725702725188,"formula_full":"Mg1 Ti3 Fe2 Co1 P6 O24","formula_reduced":"MgTi3Fe2Co(PO4)6","formula_anonymous":"ABC2D3E6F24","energy":-299.95369787,"energy_per_atom":-8.106856699189189,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-277.31569787,"band_gap":0.1628000000000007,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.9999997,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.928000Z","spacegroup":1},{"id":"mp-777049","created_at":"2022-09-04T14:47:00.097304Z","structure_string":"Li4 Fe4 B4 O12\n1.0\n2.612705 -4.502563 0.026413\n5.221537 0.019763 0.013155\n-0.187397 0.322793 10.365253\nLi Fe B O\n4 4 4 12\ndirect\n0.344121 0.981764 0.332957 Li\n0.325948 0.018202 0.832952 Li\n0.666677 0.982345 0.584026 Li\n0.648937 0.017677 0.084044 Li\n0.998599 0.680687 0.867566 Fe\n0.679375 0.319303 0.367553 Fe\n0.998724 0.332661 0.115702 Fe\n0.331185 0.667478 0.615728 Fe\n0.666521 0.336671 0.873490 B\n0.003128 0.663373 0.373499 B\n0.994090 0.332998 0.624657 B\n0.327090 0.666935 0.124667 B\n0.745278 0.316189 0.583985 O\n0.061421 0.683791 0.083984 O\n0.937330 0.321562 0.903111 O\n0.258853 0.678406 0.403137 O\n0.420715 0.601366 0.834282 O\n0.022023 0.398709 0.334274 O\n0.971600 0.605117 0.653837 O\n0.576742 0.394780 0.153832 O\n0.344143 0.923124 0.137913 O\n0.267430 0.076797 0.637886 O\n0.726892 0.915642 0.386564 O\n0.642578 0.084425 0.886556 O\n","nsites":24,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.306399551161543,"density_atomic":0.09825192201391168,"volume":244.27003063209077,"volume_molar":6.129285449649843,"formula_full":"Li4 Fe4 B4 O12","formula_reduced":"LiFeBO3","formula_anonymous":"ABCD3","energy":-183.58025028,"energy_per_atom":-7.649177095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-166.31225028,"band_gap":3.1611,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0000305,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.309000Z","spacegroup":9},{"id":"mp-505346","created_at":"2022-09-04T14:47:00.802946Z","structure_string":"Eu6 B4 O12\n1.0\n4.992320 -4.528799 0.000000\n4.992320 4.528799 0.000000\n0.884005 0.000000 6.682202\nEu B O\n6 4 12\ndirect\n0.400804 0.099196 0.750000 Eu\n0.099196 0.750000 0.400804 Eu\n0.750000 0.400804 0.099196 Eu\n0.599196 0.900804 0.250000 Eu\n0.900804 0.250000 0.599196 Eu\n0.250000 0.599196 0.900804 Eu\n0.884164 0.884164 0.884164 B\n0.615836 0.615836 0.615836 B\n0.115836 0.115836 0.115836 B\n0.384164 0.384164 0.384164 B\n0.728582 0.036678 0.892030 O\n0.036678 0.892030 0.728582 O\n0.892030 0.728582 0.036678 O\n0.463322 0.771418 0.607970 O\n0.771418 0.607970 0.463322 O\n0.607970 0.463322 0.771418 O\n0.271418 0.963322 0.107970 O\n0.963322 0.107970 0.271418 O\n0.107970 0.271418 0.963322 O\n0.536678 0.228582 0.392030 O\n0.228582 0.392030 0.536678 O\n0.392030 0.536678 0.228582 O\n","nsites":22,"nelements":3,"elements":["Eu","B","O"],"chemical_system":"B-Eu-O","density":6.303551916416001,"density_atomic":0.07280942880184513,"volume":302.1586676620443,"volume_molar":8.271100129613142,"formula_full":"Eu6 B4 O12","formula_reduced":"Eu3(BO3)2","formula_anonymous":"A2B3C6","energy":-217.87037644,"energy_per_atom":-9.903198929090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.62637644,"band_gap":0.4588000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":42.0002195,"is_theoretical":false,"updated_at":"2021-11-28T01:37:45.875000Z","spacegroup":167},{"id":"mp-1202699","created_at":"2022-09-04T14:46:58.822692Z","structure_string":"Na8 Ti4 Si8 O32\n1.0\n4.385194 14.566866 0.000000\n-4.385194 14.566866 0.000000\n0.000000 0.254488 5.300582\nNa Ti Si O\n8 4 8 32\ndirect\n0.961011 0.359970 0.605967 Na\n0.359970 0.961011 0.105967 Na\n0.038989 0.640030 0.394033 Na\n0.640030 0.038989 0.894033 Na\n0.667472 0.332528 0.250000 Na\n0.332528 0.667472 0.750000 Na\n0.928306 0.071694 0.750000 Na\n0.071694 0.928306 0.250000 Na\n0.760722 0.570940 0.127653 Ti\n0.570940 0.760722 0.627653 Ti\n0.239278 0.429060 0.872347 Ti\n0.429060 0.239278 0.372347 Ti\n0.855069 0.672049 0.768842 Si\n0.672049 0.855069 0.268842 Si\n0.144931 0.327951 0.231158 Si\n0.327951 0.144931 0.731158 Si\n0.996002 0.195140 0.070959 Si\n0.195140 0.996002 0.570959 Si\n0.003998 0.804860 0.929041 Si\n0.804860 0.003998 0.429041 Si\n0.224993 0.207629 0.995748 O\n0.207629 0.224993 0.495748 O\n0.775007 0.792371 0.004252 O\n0.792371 0.775007 0.504252 O\n0.952985 0.474492 0.238053 O\n0.474492 0.952985 0.738053 O\n0.047015 0.525508 0.761947 O\n0.525508 0.047015 0.261947 O\n0.883408 0.375263 0.013687 O\n0.375263 0.883408 0.513687 O\n0.116592 0.624737 0.986313 O\n0.624737 0.116592 0.486313 O\n0.908077 0.176096 0.071667 O\n0.176096 0.908077 0.571667 O\n0.091923 0.823904 0.928333 O\n0.823904 0.091923 0.428333 O\n0.700297 0.572249 0.439779 O\n0.572249 0.700297 0.939779 O\n0.299703 0.427751 0.560221 O\n0.427751 0.299703 0.060221 O\n0.086308 0.137605 0.343338 O\n0.137605 0.086308 0.843338 O\n0.913692 0.862395 0.656662 O\n0.862395 0.913692 0.156662 O\n0.790060 0.624467 0.783082 O\n0.624467 0.790060 0.283082 O\n0.209940 0.375533 0.216918 O\n0.375533 0.209940 0.716918 O\n0.608810 0.488181 0.578626 O\n0.488181 0.608810 0.078626 O\n0.391190 0.511819 0.421374 O\n0.511819 0.391190 0.921374 O\n","nsites":52,"nelements":4,"elements":["Na","Ti","Si","O"],"chemical_system":"Na-O-Si-Ti","density":2.7268754064465504,"density_atomic":0.07678826484835513,"volume":677.1868084620991,"volume_molar":7.842527464180614,"formula_full":"Na8 Ti4 Si8 O32","formula_reduced":"Na2Ti(SiO4)2","formula_anonymous":"AB2C2D8","energy":-382.18120063,"energy_per_atom":-7.349638473653846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.19720063,"band_gap":0.0211999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0070948,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.034000Z","spacegroup":15},{"id":"mp-540652","created_at":"2022-09-04T14:46:59.736026Z","structure_string":"Ba8 Fe8 F40\n1.0\n-7.620554 7.620554 3.890742\n7.620554 -7.620554 3.890742\n7.620554 7.620554 -3.890742\nBa Fe F\n8 8 40\ndirect\n0.772914 0.045737 0.831760 Ba\n0.045737 0.213978 0.272823 Ba\n0.941154 0.772914 0.727177 Ba\n0.213978 0.941154 0.168240 Ba\n0.423603 0.737905 0.178339 Ba\n0.737905 0.559566 0.314302 Ba\n0.245264 0.423603 0.685698 Ba\n0.559566 0.245264 0.821661 Ba\n0.736694 0.736694 0.000000 Fe\n0.240589 0.240589 0.000000 Fe\n0.986699 0.486699 0.500000 Fe\n0.486699 0.986699 0.500000 Fe\n0.810039 0.326159 0.150324 Fe\n0.326159 0.175835 0.516120 Fe\n0.659715 0.810038 0.483880 Fe\n0.175835 0.659715 0.849676 Fe\n0.988551 0.988551 0.000000 F\n0.488498 0.488498 0.000000 F\n0.704578 0.867915 0.075331 F\n0.867915 0.792583 0.163336 F\n0.629247 0.704578 0.836664 F\n0.792583 0.629247 0.924669 F\n0.181242 0.346369 0.071522 F\n0.346369 0.274847 0.165127 F\n0.109721 0.181242 0.834873 F\n0.274847 0.109721 0.928478 F\n0.736822 0.236822 0.500000 F\n0.236822 0.736822 0.500000 F\n0.869187 0.433401 0.331026 F\n0.433401 0.102376 0.564214 F\n0.538162 0.869187 0.435786 F\n0.102376 0.538162 0.668974 F\n0.379315 0.921750 0.323719 F\n0.921750 0.598031 0.542436 F\n0.055595 0.379315 0.457564 F\n0.598031 0.055595 0.676281 F\n0.567721 0.220379 0.136677 F\n0.220379 0.083702 0.652658 F\n0.431044 0.567721 0.347342 F\n0.083702 0.431044 0.863323 F\n0.912622 0.561559 0.142797 F\n0.561559 0.418763 0.648937 F\n0.769825 0.912622 0.351063 F\n0.418763 0.769825 0.857203 F\n0.719399 0.108940 0.185947 F\n0.108940 0.922993 0.389542 F\n0.533451 0.719399 0.610458 F\n0.922993 0.533451 0.814053 F\n0.062447 0.450442 0.190335 F\n0.450442 0.260107 0.387995 F\n0.872112 0.062447 0.612005 F\n0.260107 0.872112 0.809665 F\n0.739545 0.225380 0.972861 F\n0.225380 0.252519 0.485835 F\n0.766684 0.739545 0.514165 F\n0.252519 0.766684 0.027139 F\n","nsites":56,"nelements":3,"elements":["Ba","Fe","F"],"chemical_system":"Ba-F-Fe","density":4.235584187298914,"density_atomic":0.06196158416216453,"volume":903.7858014320292,"volume_molar":9.719152344844803,"formula_full":"Ba8 Fe8 F40","formula_reduced":"BaFeF5","formula_anonymous":"ABC5","energy":-346.26506813000003,"energy_per_atom":-6.183304788035715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-309.73706813,"band_gap":3.5907,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":39.9982217,"is_theoretical":false,"updated_at":"2021-11-28T01:37:50.428000Z","spacegroup":79},{"id":"mp-7908","created_at":"2022-09-04T14:46:59.880495Z","structure_string":"Al2 Zn1 Te4\n1.0\n-3.045959 3.045959 5.988268\n3.045959 -3.045959 5.988268\n3.045959 3.045959 -5.988268\nAl Zn Te\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Zn\n0.397700 0.892483 0.024512 Te\n0.107517 0.132029 0.505218 Te\n0.626812 0.602300 0.494782 Te\n0.867971 0.373188 0.975488 Te\n","nsites":7,"nelements":3,"elements":["Al","Zn","Te"],"chemical_system":"Al-Te-Zn","density":4.705688467931012,"density_atomic":0.031498415940673735,"volume":222.23339780591752,"volume_molar":19.118868616575863,"formula_full":"Al2 Zn1 Te4","formula_reduced":"Al2ZnTe4","formula_anonymous":"AB2C4","energy":-26.25868473,"energy_per_atom":-3.7512406757142855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.57068473,"band_gap":1.6250999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0036892,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.597000Z","spacegroup":82},{"id":"mp-1203714","created_at":"2022-09-04T14:46:59.991692Z","structure_string":"K4 Nd4 H8 S8 O36\n1.0\n0.000000 -8.643210 0.000000\n-8.909688 0.000000 4.777901\n-0.149323 0.000000 -10.615764\nK Nd H S O\n4 4 8 8 36\ndirect\n0.689730 0.226535 0.701748 K\n0.189730 0.773465 0.798252 K\n0.310270 0.773465 0.298252 K\n0.810270 0.226535 0.201748 K\n0.843947 0.738063 0.471891 Nd\n0.343947 0.261937 0.028109 Nd\n0.156053 0.261937 0.528109 Nd\n0.656053 0.738063 0.971891 Nd\n0.512682 0.610512 0.452330 H\n0.012682 0.389488 0.047670 H\n0.487318 0.389488 0.547670 H\n0.987318 0.610512 0.952330 H\n0.523014 0.772501 0.573838 H\n0.023014 0.227499 0.926162 H\n0.476986 0.227499 0.426162 H\n0.976986 0.772501 0.073838 H\n0.181986 0.475741 0.382829 S\n0.681986 0.524259 0.117171 S\n0.818014 0.524259 0.617171 S\n0.318014 0.475741 0.882829 S\n0.869149 0.952720 0.326889 S\n0.369149 0.047280 0.173111 S\n0.130851 0.047280 0.673111 S\n0.630851 0.952720 0.826889 S\n0.305099 0.453558 0.276681 O\n0.805099 0.546442 0.223319 O\n0.694901 0.546442 0.723319 O\n0.194901 0.453558 0.776681 O\n0.079355 0.596185 0.389831 O\n0.579355 0.403815 0.110169 O\n0.920645 0.403815 0.610169 O\n0.420645 0.596185 0.889831 O\n0.094585 0.333487 0.339847 O\n0.594585 0.666513 0.160153 O\n0.905415 0.666513 0.660153 O\n0.405415 0.333487 0.839847 O\n0.251803 0.514055 0.524145 O\n0.751803 0.485945 0.975855 O\n0.748197 0.485945 0.475855 O\n0.248197 0.514055 0.024145 O\n0.792042 0.932323 0.194001 O\n0.292042 0.067677 0.305999 O\n0.207958 0.067677 0.805999 O\n0.707958 0.932323 0.694001 O\n0.949584 0.099011 0.387101 O\n0.449584 0.900989 0.112899 O\n0.050416 0.900989 0.612899 O\n0.550416 0.099011 0.887101 O\n0.754464 0.950202 0.431669 O\n0.254464 0.049798 0.068331 O\n0.245536 0.049798 0.568331 O\n0.745536 0.950202 0.931669 O\n0.980024 0.828216 0.296987 O\n0.480024 0.171784 0.203013 O\n0.019976 0.171784 0.703013 O\n0.519976 0.828216 0.796987 O\n0.543266 0.711646 0.472112 O\n0.043266 0.288354 0.027888 O\n0.456734 0.288354 0.527888 O\n0.956734 0.711646 0.972112 O\n","nsites":60,"nelements":5,"elements":["K","Nd","H","S","O"],"chemical_system":"H-K-Nd-O-S","density":3.1730737130155693,"density_atomic":0.07284484091537773,"volume":823.6684883381199,"volume_molar":8.267079293914295,"formula_full":"K4 Nd4 H8 S8 O36","formula_reduced":"KNdH2S2O9","formula_anonymous":"ABC2D2E9","energy":-399.01339694,"energy_per_atom":-6.650223282333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.28139694,"band_gap":5.3773,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0020314,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.904000Z","spacegroup":14},{"id":"mp-731872","created_at":"2022-09-04T14:46:59.862518Z","structure_string":"Mn2 Al12 Si8 O38\n1.0\n5.744316 0.000000 0.000000\n0.000000 9.613673 0.000000\n0.000000 3.602978 11.405319\nMn Al Si O\n2 12 8 38\ndirect\n0.750000 0.640137 0.620763 Mn\n0.250000 0.359863 0.379237 Mn\n0.750000 0.677042 0.904168 Al\n0.250000 0.322958 0.095832 Al\n0.750000 0.908603 0.134583 Al\n0.250000 0.091397 0.865417 Al\n0.491806 0.069682 0.308104 Al\n0.991806 0.930318 0.691896 Al\n0.508194 0.930318 0.691896 Al\n0.008194 0.069682 0.308104 Al\n0.501303 0.594235 0.165241 Al\n0.001303 0.405765 0.834759 Al\n0.498697 0.405765 0.834759 Al\n0.998697 0.594235 0.165241 Al\n0.750000 0.170201 0.471285 Si\n0.250000 0.829799 0.528715 Si\n0.750000 0.488929 0.415471 Si\n0.250000 0.511071 0.584529 Si\n0.750000 0.323997 0.093845 Si\n0.250000 0.676003 0.906155 Si\n0.750000 0.100146 0.851033 Si\n0.250000 0.899854 0.148967 Si\n0.750000 0.011422 0.988593 O\n0.250000 0.988578 0.011407 O\n0.750000 0.535782 0.835180 O\n0.250000 0.464218 0.164820 O\n0.750000 0.469325 0.138796 O\n0.250000 0.530675 0.861204 O\n0.750000 0.277424 0.832432 O\n0.250000 0.722576 0.167568 O\n0.750000 0.625304 0.471497 O\n0.250000 0.374696 0.528503 O\n0.750000 0.328102 0.509632 O\n0.250000 0.671898 0.490368 O\n0.750000 0.717931 0.158963 O\n0.250000 0.282069 0.841037 O\n0.750000 0.173678 0.200643 O\n0.250000 0.826322 0.799357 O\n0.750000 0.049345 0.605087 O\n0.250000 0.950655 0.394913 O\n0.750000 0.018056 0.401882 O\n0.250000 0.981944 0.598118 O\n0.750000 0.832149 0.784516 O\n0.250000 0.167851 0.215484 O\n0.488250 0.210392 0.396074 O\n0.988250 0.789608 0.603926 O\n0.511750 0.789608 0.603926 O\n0.011750 0.210392 0.396074 O\n0.512918 0.332177 0.014380 O\n0.012918 0.667823 0.985620 O\n0.487082 0.667823 0.985620 O\n0.987082 0.332177 0.014380 O\n0.493277 0.937380 0.209027 O\n0.993277 0.062620 0.790973 O\n0.506723 0.062620 0.790973 O\n0.006723 0.937380 0.209027 O\n0.513539 0.506346 0.329657 O\n0.013539 0.493654 0.670343 O\n0.486461 0.493654 0.670343 O\n0.986461 0.506346 0.329657 O\n","nsites":60,"nelements":4,"elements":["Mn","Al","Si","O"],"chemical_system":"Al-Mn-O-Si","density":3.338535522763024,"density_atomic":0.09526122125456166,"volume":629.8470585388055,"volume_molar":6.32171273965441,"formula_full":"Mn2 Al12 Si8 O38","formula_reduced":"MnAl6Si4O19","formula_anonymous":"AB4C6D19","energy":-482.56338002,"energy_per_atom":-8.042723000333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-453.12138002,"band_gap":0.2417000000000007,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.9982372,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.367000Z","spacegroup":11},{"id":"mp-1519478","created_at":"2022-09-04T14:47:00.418071Z","structure_string":"Na1 Li1 Hf1 W1 O6\n1.0\n-0.000000 -3.996928 -3.996928\n3.996928 -0.000000 -3.996928\n3.996928 -3.996928 0.000000\nNa Li Hf W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 W\n0.742812 0.257188 0.257188 O\n0.257188 0.742812 0.742812 O\n0.742812 0.257188 0.742812 O\n0.257188 0.742812 0.257188 O\n0.742812 0.742812 0.257188 O\n0.257188 0.257188 0.742812 O\n","nsites":10,"nelements":5,"elements":["Na","Li","Hf","W","O"],"chemical_system":"Hf-Li-Na-O-W","density":6.348757745342167,"density_atomic":0.07830527683430252,"volume":127.70531443443394,"volume_molar":7.69059379324221,"formula_full":"Na1 Li1 Hf1 W1 O6","formula_reduced":"NaLiHfWO6","formula_anonymous":"ABCDE6","energy":-83.09493585,"energy_per_atom":-8.309493585,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.53493585,"band_gap":2.4086,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.486000Z","spacegroup":216},{"id":"mp-1182723","created_at":"2022-09-04T14:46:59.908976Z","structure_string":"K8 Fe8 P8 O28 F8\n1.0\n6.669422 0.000000 0.000000\n0.000000 9.743570 0.000000\n0.000000 0.000000 16.586247\nK Fe P O F\n8 8 8 28 8\ndirect\n0.412229 0.025742 0.830440 K\n0.087771 0.525742 0.669560 K\n0.087771 0.025742 0.330440 K\n0.412229 0.525742 0.169560 K\n0.912229 0.974258 0.669560 K\n0.587771 0.974258 0.169560 K\n0.912229 0.474258 0.330440 K\n0.587771 0.474258 0.830440 K\n0.000000 0.750000 0.842569 Fe\n0.500000 0.250000 0.657431 Fe\n0.500000 0.750000 0.342569 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.250000 0.157431 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.226305 0.712213 0.471854 P\n0.726305 0.787787 0.971854 P\n0.726305 0.287787 0.028146 P\n0.273695 0.212213 0.028146 P\n0.226305 0.212213 0.528146 P\n0.773695 0.287787 0.528146 P\n0.273695 0.712213 0.971854 P\n0.773695 0.787787 0.471854 P\n0.824001 0.651021 0.944693 O\n0.675999 0.651021 0.444693 O\n0.175999 0.348979 0.055307 O\n0.242422 0.111716 0.599217 O\n0.324002 0.348979 0.555307 O\n0.188481 0.149595 0.950910 O\n0.000000 0.250000 0.503685 O\n0.000000 0.750000 0.496315 O\n0.757578 0.388284 0.599217 O\n0.188481 0.649595 0.049090 O\n0.311519 0.649595 0.549090 O\n0.811519 0.350405 0.950910 O\n0.811519 0.850405 0.049090 O\n0.742422 0.888284 0.900783 O\n0.824001 0.151021 0.055307 O\n0.242422 0.611716 0.400783 O\n0.311519 0.149595 0.450910 O\n0.757578 0.888284 0.400783 O\n0.175999 0.848979 0.944693 O\n0.324002 0.848979 0.444693 O\n0.675999 0.151021 0.555307 O\n0.500000 0.250000 0.003685 O\n0.688481 0.350405 0.450910 O\n0.742422 0.388284 0.099217 O\n0.257578 0.111716 0.099217 O\n0.688481 0.850405 0.549090 O\n0.257578 0.611716 0.900783 O\n0.500000 0.750000 0.996315 O\n0.167015 0.842812 0.760912 F\n0.832985 0.157188 0.239088 F\n0.332985 0.342812 0.739088 F\n0.167015 0.342812 0.239088 F\n0.667015 0.657188 0.260912 F\n0.332985 0.842812 0.260912 F\n0.832985 0.657188 0.760912 F\n0.667015 0.157188 0.739088 F\n","nsites":60,"nelements":5,"elements":["K","Fe","P","O","F"],"chemical_system":"F-Fe-K-O-P","density":2.4762442295657543,"density_atomic":0.0556668715028923,"volume":1077.8403452560212,"volume_molar":10.818177126564597,"formula_full":"K8 Fe8 P8 O28 F8","formula_reduced":"K2Fe2P2O7F2","formula_anonymous":"A2B2C2D2E7","energy":-422.74821673,"energy_per_atom":-7.045803612166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-381.76821673,"band_gap":3.5208,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":31.9999502,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.587000Z","spacegroup":60},{"id":"mp-1195185","created_at":"2022-09-04T14:47:08.219699Z","structure_string":"K8 Na4 Al12 F48\n1.0\n7.078585 0.000000 0.000000\n0.000000 11.439906 0.000000\n0.000000 0.000000 12.037444\nK Na Al F\n8 4 12 48\ndirect\n0.750000 0.559317 0.604874 K\n0.750000 0.059317 0.895126 K\n0.250000 0.440683 0.395126 K\n0.250000 0.940683 0.104874 K\n0.750000 0.455691 0.926267 K\n0.750000 0.955691 0.573733 K\n0.250000 0.544309 0.073733 K\n0.250000 0.044309 0.426267 K\n0.250000 0.986400 0.728869 Na\n0.250000 0.486400 0.771131 Na\n0.750000 0.013600 0.271131 Na\n0.750000 0.513600 0.228869 Na\n0.500315 0.252669 0.669418 Al\n0.999685 0.752669 0.830582 Al\n0.000315 0.747331 0.330582 Al\n0.499685 0.247331 0.169418 Al\n0.499685 0.747331 0.330582 Al\n0.000315 0.247331 0.169418 Al\n0.999685 0.252669 0.669418 Al\n0.500315 0.752669 0.830582 Al\n0.250000 0.206661 0.920330 Al\n0.250000 0.706661 0.579670 Al\n0.750000 0.793339 0.079670 Al\n0.750000 0.293339 0.420330 Al\n0.562123 0.300649 0.527609 F\n0.937877 0.800649 0.972391 F\n0.062123 0.699351 0.472391 F\n0.437877 0.199351 0.027609 F\n0.437877 0.699351 0.472391 F\n0.062123 0.199351 0.027609 F\n0.937877 0.300649 0.527609 F\n0.562123 0.800649 0.972391 F\n0.750000 0.210981 0.698830 F\n0.750000 0.710981 0.801170 F\n0.250000 0.789019 0.301170 F\n0.250000 0.289019 0.198830 F\n0.539431 0.396112 0.721407 F\n0.960569 0.896112 0.778593 F\n0.039431 0.603888 0.278593 F\n0.460569 0.103888 0.221407 F\n0.460569 0.603888 0.278593 F\n0.039431 0.103888 0.221407 F\n0.960569 0.396112 0.721407 F\n0.539431 0.896112 0.778593 F\n0.250000 0.291774 0.642660 F\n0.250000 0.791774 0.857340 F\n0.750000 0.708226 0.357340 F\n0.750000 0.208226 0.142660 F\n0.457610 0.108235 0.620947 F\n0.042390 0.608235 0.879053 F\n0.957610 0.891765 0.379053 F\n0.542390 0.391765 0.120947 F\n0.542390 0.891765 0.379053 F\n0.957610 0.391765 0.120947 F\n0.042390 0.108235 0.620947 F\n0.457610 0.608235 0.879053 F\n0.440063 0.204609 0.812833 F\n0.059937 0.704609 0.687167 F\n0.940063 0.795391 0.187167 F\n0.559937 0.295391 0.312833 F\n0.559937 0.795391 0.187167 F\n0.940063 0.295391 0.312833 F\n0.059937 0.204609 0.812833 F\n0.440063 0.704609 0.687167 F\n0.250000 0.360468 0.922021 F\n0.250000 0.860468 0.577979 F\n0.750000 0.639532 0.077979 F\n0.750000 0.139532 0.422021 F\n0.250000 0.051835 0.914084 F\n0.250000 0.551835 0.585916 F\n0.750000 0.948165 0.085916 F\n0.750000 0.448165 0.414084 F\n","nsites":72,"nelements":4,"elements":["K","Na","Al","F"],"chemical_system":"Al-F-K-Na","density":2.7945262392856924,"density_atomic":0.07386340247474238,"volume":974.7723173816753,"volume_molar":8.153077922533116,"formula_full":"K8 Na4 Al12 F48","formula_reduced":"K2NaAl3F12","formula_anonymous":"AB2C3D12","energy":-413.35755694,"energy_per_atom":-5.741077179722222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-391.18155694,"band_gap":6.900399999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.99e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:52.806000Z","spacegroup":62}]}