{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=12128","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=12126","results":[{"id":"mp-1245446","created_at":"2022-09-04T14:42:47.255736Z","structure_string":"Ag2 Sn2 N2\n1.0\n3.307725 0.000000 0.000000\n-1.653862 2.864563 0.000000\n0.000000 0.000000 10.762535\nAg Sn N\n2 2 2\ndirect\n0.666721 0.333441 0.773246 Ag\n0.333279 0.666559 0.273246 Ag\n0.999962 0.999925 0.488204 Sn\n0.000038 0.000075 0.988204 Sn\n0.333306 0.666611 0.583189 N\n0.666694 0.333389 0.083189 N\n","nsites":6,"nelements":3,"elements":["Ag","Sn","N"],"chemical_system":"Ag-N-Sn","density":7.835110187880023,"density_atomic":0.05883678041036164,"volume":101.97702794327867,"volume_molar":10.235333609347958,"formula_full":"Ag2 Sn2 N2","formula_reduced":"AgSnN","formula_anonymous":"ABC","energy":-28.478757230000006,"energy_per_atom":-4.746459538333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.75675723,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001295,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.980000Z","spacegroup":186},{"id":"mp-510562","created_at":"2022-09-04T14:42:03.039566Z","structure_string":"K4 Mn4 P12 H4 O40\n1.0\n-4.936307 6.732444 0.000004\n-0.053845 -0.039475 9.394479\n9.314456 6.829473 4.365708\nK Mn P H O\n4 4 12 4 40\ndirect\n0.942756 0.250001 0.500000 K\n0.442754 0.250001 0.999999 K\n0.057246 0.749999 0.500003 K\n0.557243 0.750001 0.999998 K\n0.749998 0.500001 0.750000 Mn\n0.250000 0.000001 0.749998 Mn\n0.250001 0.499999 0.250001 Mn\n0.749998 0.999998 0.250002 Mn\n0.370933 0.249996 0.500010 P\n0.870935 0.250005 0.999990 P\n0.629067 0.749996 0.500010 P\n0.129066 0.750004 0.999990 P\n0.066157 0.294915 0.792581 P\n0.566153 0.294908 0.292590 P\n0.066153 0.205092 0.207410 P\n0.566157 0.205085 0.707418 P\n0.933847 0.705092 0.207410 P\n0.433843 0.705085 0.707418 P\n0.933844 0.794915 0.792581 P\n0.433848 0.794909 0.292589 P\n0.750000 0.500000 0.250000 H\n0.250000 0.500000 0.750000 H\n0.250000 0.000000 0.250000 H\n0.750000 0.000000 0.750000 H\n0.889909 0.678516 0.737742 O\n0.389908 0.678518 0.237742 O\n0.889908 0.821481 0.262257 O\n0.389910 0.821482 0.762258 O\n0.110092 0.321481 0.262257 O\n0.610090 0.321483 0.762258 O\n0.110090 0.178518 0.737742 O\n0.610091 0.178519 0.237744 O\n0.937410 0.400427 0.715813 O\n0.437408 0.400432 0.215812 O\n0.937407 0.099569 0.284188 O\n0.437409 0.099572 0.784188 O\n0.062593 0.599569 0.284188 O\n0.562591 0.599572 0.784187 O\n0.062590 0.900427 0.715813 O\n0.562592 0.900431 0.215813 O\n0.278181 0.390143 0.432671 O\n0.778184 0.390131 0.932686 O\n0.278184 0.109869 0.567314 O\n0.778181 0.109857 0.067328 O\n0.721817 0.609868 0.567314 O\n0.221818 0.609857 0.067328 O\n0.721819 0.890143 0.432672 O\n0.221818 0.890133 0.932686 O\n0.988945 0.300707 0.083052 O\n0.488939 0.300711 0.583040 O\n0.988939 0.199288 0.916961 O\n0.488944 0.199294 0.416947 O\n0.011061 0.699289 0.916961 O\n0.511056 0.699293 0.416947 O\n0.011056 0.800706 0.083053 O\n0.511061 0.800710 0.583040 O\n0.707803 0.380795 0.320311 O\n0.207805 0.380792 0.820314 O\n0.707806 0.119209 0.679686 O\n0.207804 0.119207 0.179690 O\n0.292193 0.619207 0.679686 O\n0.792197 0.619206 0.179690 O\n0.292197 0.880794 0.320310 O\n0.792195 0.880792 0.820313 O\n","nsites":64,"nelements":5,"elements":["K","Mn","P","H","O"],"chemical_system":"H-K-Mn-O-P","density":2.544641116638739,"density_atomic":0.0704642183542767,"volume":908.2623989132157,"volume_molar":8.5463812707354,"formula_full":"K4 Mn4 P12 H4 O40","formula_reduced":"KMnP3HO10","formula_anonymous":"ABCD3E10","energy":-475.94214369,"energy_per_atom":-7.43659599515625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-441.79014369,"band_gap":0.7785000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:29.663000Z","spacegroup":15},{"id":"mp-553910","created_at":"2022-09-04T14:42:03.046106Z","structure_string":"K4 V16 Ag44 O64\n1.0\n10.535046 0.000000 0.000000\n0.000000 10.777930 0.000000\n0.000000 0.000000 17.224430\nK V Ag O\n4 16 44 64\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.258095 0.234137 0.001930 V\n0.741905 0.265863 0.501930 V\n0.499308 0.982480 0.264572 V\n0.999308 0.517520 0.264572 V\n0.741905 0.765863 0.998070 V\n0.000692 0.482480 0.735428 V\n0.000692 0.982480 0.764572 V\n0.999308 0.017520 0.235428 V\n0.499308 0.482480 0.235428 V\n0.500692 0.017520 0.735428 V\n0.241905 0.234137 0.501930 V\n0.258095 0.734137 0.498070 V\n0.241905 0.734137 0.998070 V\n0.758095 0.765863 0.498070 V\n0.758095 0.265863 0.001930 V\n0.500692 0.517520 0.764572 V\n0.524693 0.723879 0.635825 Ag\n0.214602 0.474305 0.878802 Ag\n0.531286 0.209769 0.134387 Ag\n0.213338 0.989463 0.376941 Ag\n0.785398 0.025695 0.378802 Ag\n0.475307 0.776121 0.135825 Ag\n0.975307 0.723879 0.135825 Ag\n0.713338 0.510537 0.376941 Ag\n0.285398 0.974305 0.121198 Ag\n0.524693 0.223879 0.864175 Ag\n0.247875 0.760340 0.754889 Ag\n0.713338 0.010537 0.123059 Ag\n0.752125 0.239660 0.245111 Ag\n0.285398 0.474305 0.378802 Ag\n0.975307 0.223879 0.364175 Ag\n0.531286 0.709769 0.365613 Ag\n0.024693 0.276121 0.864175 Ag\n0.714602 0.025695 0.878802 Ag\n0.968714 0.209769 0.634387 Ag\n0.031286 0.290231 0.134387 Ag\n0.024693 0.776121 0.635825 Ag\n0.786662 0.010537 0.623059 Ag\n0.475307 0.276121 0.364175 Ag\n0.752125 0.739660 0.254889 Ag\n0.785398 0.525695 0.121198 Ag\n0.000000 0.000000 0.500000 Ag\n0.747875 0.739660 0.754889 Ag\n0.786662 0.510537 0.876941 Ag\n0.468714 0.790231 0.865613 Ag\n0.500000 0.000000 0.000000 Ag\n0.031286 0.790231 0.365613 Ag\n0.252125 0.760340 0.254889 Ag\n0.468714 0.290231 0.634387 Ag\n0.968714 0.709769 0.865613 Ag\n0.714602 0.525695 0.621198 Ag\n0.252125 0.260340 0.245111 Ag\n0.286662 0.989463 0.876941 Ag\n0.500000 0.500000 0.500000 Ag\n0.213338 0.489463 0.123059 Ag\n0.286662 0.489463 0.623059 Ag\n0.214602 0.974305 0.621198 Ag\n0.247875 0.260340 0.745111 Ag\n0.747875 0.239660 0.745111 Ag\n0.000000 0.500000 0.000000 Ag\n0.319063 0.675519 0.916044 O\n0.259213 0.897145 0.497507 O\n0.418375 0.182702 0.000733 O\n0.392008 0.887806 0.315614 O\n0.081401 0.926085 0.170923 O\n0.581625 0.817298 0.999267 O\n0.081625 0.682702 0.999267 O\n0.088088 0.582621 0.797700 O\n0.418599 0.426085 0.829077 O\n0.392008 0.387806 0.184386 O\n0.259213 0.397145 0.002493 O\n0.819063 0.824481 0.916044 O\n0.107363 0.616194 0.211112 O\n0.179449 0.176432 0.919897 O\n0.918375 0.317298 0.000733 O\n0.581625 0.317298 0.500733 O\n0.740787 0.102855 0.502493 O\n0.911912 0.917379 0.297700 O\n0.320551 0.676432 0.080103 O\n0.240787 0.397145 0.502493 O\n0.180937 0.675519 0.416044 O\n0.107363 0.116194 0.288888 O\n0.107992 0.387806 0.684386 O\n0.607363 0.383806 0.288888 O\n0.820551 0.823568 0.080103 O\n0.918599 0.073915 0.829077 O\n0.588088 0.417379 0.702300 O\n0.320551 0.176432 0.419897 O\n0.418599 0.926085 0.670923 O\n0.319063 0.175519 0.583956 O\n0.581401 0.573915 0.170923 O\n0.392637 0.616194 0.711112 O\n0.918375 0.817298 0.499267 O\n0.819063 0.324481 0.583956 O\n0.759213 0.102855 0.002493 O\n0.581401 0.073915 0.329077 O\n0.680937 0.324481 0.083956 O\n0.759213 0.602855 0.497507 O\n0.588088 0.917379 0.797700 O\n0.607992 0.612194 0.815614 O\n0.418375 0.682702 0.499267 O\n0.088088 0.082621 0.702300 O\n0.892008 0.612194 0.315614 O\n0.911912 0.417379 0.202300 O\n0.411912 0.582621 0.297700 O\n0.607363 0.883806 0.211112 O\n0.081625 0.182702 0.500733 O\n0.679449 0.323568 0.919897 O\n0.892637 0.883806 0.711112 O\n0.680937 0.824481 0.416044 O\n0.392637 0.116194 0.788888 O\n0.179449 0.676432 0.580103 O\n0.180937 0.175519 0.083956 O\n0.240787 0.897145 0.997507 O\n0.892008 0.112194 0.184386 O\n0.918599 0.573915 0.670923 O\n0.740787 0.602855 0.997507 O\n0.081401 0.426085 0.329077 O\n0.892637 0.383806 0.788888 O\n0.820551 0.323568 0.419897 O\n0.679449 0.823568 0.580103 O\n0.411912 0.082621 0.202300 O\n0.607992 0.112194 0.684386 O\n0.107992 0.887806 0.815614 O\n","nsites":128,"nelements":4,"elements":["K","V","Ag","O"],"chemical_system":"Ag-K-O-V","density":5.72396127905017,"density_atomic":0.06544753828902153,"volume":1955.7649278532347,"volume_molar":9.201477882033924,"formula_full":"K4 V16 Ag44 O64","formula_reduced":"KV4Ag11O16","formula_anonymous":"AB4C11D16","energy":-761.5606408,"energy_per_atom":-5.94969250625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-690.3926408,"band_gap":0.8009000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0044293,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.631000Z","spacegroup":61},{"id":"mp-672160","created_at":"2022-09-04T14:42:03.058612Z","structure_string":"K4 V2 Cu2 Se8\n1.0\n0.000000 6.780415 11.940279\n2.823619 0.000000 11.940279\n2.823619 6.780415 0.000000\nK V Cu Se\n4 2 2 8\ndirect\n0.819673 0.816266 0.182489 K\n0.174483 0.183239 0.819518 K\n0.430687 0.429957 0.076158 K\n0.071038 0.071710 0.423830 K\n0.007210 0.995181 0.998175 V\n0.251955 0.244677 0.246007 V\n0.502516 0.500332 0.492877 Cu\n0.740901 0.756776 0.757329 Cu\n0.176288 0.434321 0.519320 Se\n0.867627 0.519166 0.439458 Se\n0.527557 0.856619 0.168817 Se\n0.449520 0.163914 0.854960 Se\n0.080241 0.803621 0.722174 Se\n0.390105 0.726536 0.808348 Se\n0.721532 0.389321 0.085036 Se\n0.819150 0.070112 0.384866 Se\n","nsites":16,"nelements":4,"elements":["K","V","Cu","Se"],"chemical_system":"Cu-K-Se-V","density":3.693888575473212,"density_atomic":0.0349955755661421,"volume":457.20065297282474,"volume_molar":17.208291798539147,"formula_full":"K4 V2 Cu2 Se8","formula_reduced":"K2VCuSe4","formula_anonymous":"ABC2D4","energy":-76.80385068999999,"energy_per_atom":-4.800240668124999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.02785069,"band_gap":1.0014,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.4e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.662000Z","spacegroup":1},{"id":"mp-567883","created_at":"2022-09-04T14:42:03.062893Z","structure_string":"Ti8 Co2 Bi4\n1.0\n-5.297977 5.297977 2.434917\n5.297977 -5.297977 2.434917\n5.297977 5.297977 -2.434917\nTi Co Bi\n8 2 4\ndirect\n0.692845 0.580392 0.273237 Ti\n0.580392 0.307155 0.887548 Ti\n0.080392 0.192845 0.273237 Ti\n0.919608 0.807155 0.726763 Ti\n0.192845 0.919608 0.112452 Ti\n0.807155 0.080392 0.887548 Ti\n0.307155 0.419608 0.726763 Ti\n0.419608 0.692845 0.112452 Ti\n0.250000 0.250000 0.000000 Co\n0.750000 0.750000 0.000000 Co\n0.139165 0.639165 0.778331 Bi\n0.360835 0.139165 0.500000 Bi\n0.639165 0.860835 0.500000 Bi\n0.860835 0.360835 0.221669 Bi\n","nsites":14,"nelements":3,"elements":["Ti","Co","Bi"],"chemical_system":"Bi-Co-Ti","density":8.119448836383835,"density_atomic":0.05121105765783925,"volume":273.37845848721537,"volume_molar":11.759453984013053,"formula_full":"Ti8 Co2 Bi4","formula_reduced":"Ti4CoBi2","formula_anonymous":"AB2C4","energy":-97.2952037,"energy_per_atom":-6.949657407142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.2952037,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0189622,"is_theoretical":false,"updated_at":"2021-11-28T01:35:30.859000Z","spacegroup":140},{"id":"mp-1174751","created_at":"2022-09-04T14:42:03.062696Z","structure_string":"Li8 Mn2 Co4 O14\n1.0\n3.029203 0.000000 0.000000\n0.903020 7.743263 0.000000\n1.280246 1.884255 10.914661\nLi Mn Co O\n8 2 4 14\ndirect\n0.779396 0.360577 0.078053 Li\n0.930279 0.786598 0.354123 Li\n0.071088 0.213370 0.640235 Li\n0.215926 0.642480 0.928811 Li\n0.353433 0.071195 0.218966 Li\n0.503953 0.495989 0.496701 Li\n0.647078 0.928633 0.783221 Li\n0.143605 0.427215 0.286290 Li\n0.003015 0.995931 0.002760 Mn\n0.424502 0.289979 0.856274 Mn\n0.286480 0.857407 0.568918 Co\n0.581598 0.699541 0.149095 Co\n0.713756 0.154873 0.424700 Co\n0.849691 0.574732 0.711399 Co\n0.366929 0.178120 0.030401 O\n0.531268 0.619784 0.306145 O\n0.696997 0.035737 0.591841 O\n0.800292 0.466430 0.880930 O\n0.949018 0.883610 0.171783 O\n0.099951 0.307089 0.461160 O\n0.213303 0.749352 0.739095 O\n0.196433 0.548221 0.111012 O\n0.345911 0.969424 0.402123 O\n0.483897 0.401873 0.685562 O\n0.626384 0.817934 0.979567 O\n0.754308 0.234692 0.267712 O\n0.865152 0.683021 0.544040 O\n0.066355 0.106194 0.829084 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.054672071878619,"density_atomic":0.10936928962875428,"volume":256.0133662296232,"volume_molar":5.506244742415076,"formula_full":"Li8 Mn2 Co4 O14","formula_reduced":"Li4MnCo2O7","formula_anonymous":"AB2C4D7","energy":-181.82494961,"energy_per_atom":-6.493748200357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-162.31894961,"band_gap":0.1949,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9997721,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.717000Z","spacegroup":1},{"id":"mp-24664","created_at":"2022-09-04T14:42:03.071123Z","structure_string":"Zn2 H16 C4 N8 Cl4 O4\n1.0\n6.394967 0.000000 0.000000\n-2.775760 -6.383046 0.000000\n-2.880657 0.936836 -11.587318\nZn H C N Cl O\n2 16 4 8 4 4\ndirect\n0.523059 0.336620 0.749051 Zn\n0.476941 0.663380 0.250949 Zn\n0.764968 0.016441 0.592738 H\n0.235032 0.983559 0.407262 H\n0.731831 0.754414 0.577190 H\n0.268169 0.245586 0.422810 H\n0.067611 0.680650 0.643313 H\n0.932389 0.319350 0.356687 H\n0.333033 0.877352 0.718871 H\n0.666967 0.122648 0.281129 H\n0.166585 0.347285 0.952156 H\n0.010526 0.669668 0.186027 H\n0.689344 0.052867 0.071784 H\n0.310656 0.947133 0.928216 H\n0.999070 0.173445 0.095202 H\n0.989474 0.330332 0.813973 H\n0.000930 0.826555 0.904798 H\n0.833415 0.652715 0.047844 H\n0.066032 0.974695 0.656618 C\n0.190963 0.804410 0.065212 C\n0.809037 0.195590 0.934788 C\n0.933968 0.025305 0.343382 C\n0.835819 0.907779 0.603867 N\n0.164181 0.092221 0.396133 N\n0.165217 0.869796 0.958570 N\n0.834783 0.130204 0.041430 N\n0.832157 0.163683 0.332560 N\n0.167843 0.836317 0.667440 N\n0.996780 0.686805 0.100404 N\n0.003220 0.313195 0.899596 N\n0.576179 0.635337 0.841341 Cl\n0.292892 0.640059 0.393368 Cl\n0.707108 0.359941 0.606632 Cl\n0.423821 0.364663 0.158659 Cl\n0.180373 0.168298 0.694291 O\n0.399142 0.853601 0.131461 O\n0.600858 0.146399 0.868539 O\n0.819627 0.831702 0.305709 O\n","nsites":38,"nelements":6,"elements":["Zn","H","C","N","Cl","O"],"chemical_system":"C-Cl-H-N-O-Zn","density":1.800491727227332,"density_atomic":0.08034047384370545,"volume":472.98700371030037,"volume_molar":7.495774510510714,"formula_full":"Zn2 H16 C4 N8 Cl4 O4","formula_reduced":"ZnH8C2N4(ClO)2","formula_anonymous":"AB2C2D2E4F8","energy":-220.2421785,"energy_per_atom":-5.795846802631579,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-212.1501785,"band_gap":4.7564,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.32e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.901000Z","spacegroup":2},{"id":"mp-1191372","created_at":"2022-09-04T14:42:03.073977Z","structure_string":"Eu8 Si12 Ag4\n1.0\n0.000000 7.272705 8.862919\n4.198108 0.000000 8.862919\n4.198108 7.272705 0.000000\nEu Si Ag\n8 12 4\ndirect\n0.376709 0.376709 0.623291 Eu\n0.623291 0.623291 0.376709 Eu\n0.873291 0.873291 0.626709 Eu\n0.626709 0.626709 0.873291 Eu\n0.875593 0.875593 0.124407 Eu\n0.124407 0.124407 0.875593 Eu\n0.374407 0.374407 0.125593 Eu\n0.125593 0.125593 0.374407 Eu\n0.661641 0.338359 0.661641 Si\n0.338359 0.661641 0.338359 Si\n0.588359 0.911641 0.588359 Si\n0.911641 0.588359 0.911641 Si\n0.336990 0.658856 0.824565 Si\n0.179588 0.824565 0.658856 Si\n0.824565 0.179588 0.336990 Si\n0.658856 0.336990 0.179588 Si\n0.913010 0.591144 0.425435 Si\n0.070412 0.425435 0.591144 Si\n0.425435 0.070412 0.913010 Si\n0.591144 0.913010 0.070412 Si\n0.833084 0.166916 0.833084 Ag\n0.166916 0.833084 0.166916 Ag\n0.416916 0.083084 0.416916 Ag\n0.083084 0.416916 0.083084 Ag\n","nsites":24,"nelements":3,"elements":["Eu","Si","Ag"],"chemical_system":"Ag-Eu-Si","density":6.088082822187762,"density_atomic":0.04434604435346019,"volume":541.1982139536049,"volume_molar":13.579882597871688,"formula_full":"Eu8 Si12 Ag4","formula_reduced":"Eu2Si3Ag","formula_anonymous":"AB2C3","energy":-171.26167985,"energy_per_atom":-7.135903327083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.26167985,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":56.1329544,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.883000Z","spacegroup":70},{"id":"mp-1173858","created_at":"2022-09-04T14:42:03.082830Z","structure_string":"Na7 Sr6 Nd7 Ti20 O60\n1.0\n4.810328 -0.011698 -2.770696\n-3.207237 4.530980 0.000122\n0.110564 0.232495 55.792575\nNa Sr Nd Ti O\n7 6 7 20 60\ndirect\n0.460301 0.233250 0.969355 Na\n0.457357 0.228856 0.868621 Na\n0.482465 0.239469 0.772193 Na\n0.499409 0.249191 0.674860 Na\n0.514261 0.259058 0.577332 Na\n0.533301 0.277884 0.481118 Na\n0.525108 0.281336 0.380644 Na\n0.475797 0.733474 0.820927 Sr\n0.494890 0.747002 0.724189 Sr\n0.505805 0.754110 0.625992 Sr\n0.525256 0.764570 0.528983 Sr\n0.501351 0.751850 0.225320 Sr\n0.504306 0.749499 0.125380 Sr\n0.465129 0.701752 0.916688 Nd\n0.557542 0.764411 0.432195 Nd\n0.534859 0.758043 0.329290 Nd\n0.497991 0.265866 0.276386 Nd\n0.485714 0.250264 0.173598 Nd\n0.479419 0.711820 0.019124 Nd\n0.481243 0.248164 0.072941 Nd\n0.970539 0.489548 0.946009 Ti\n0.961019 0.484816 0.844584 Ti\n0.983515 0.984593 0.896811 Ti\n0.984613 0.491051 0.747566 Ti\n0.978646 0.985620 0.796427 Ti\n0.004159 0.501965 0.650612 Ti\n0.996998 0.996937 0.699394 Ti\n0.023735 0.511904 0.553564 Ti\n0.013441 0.009341 0.602278 Ti\n0.023646 0.510760 0.453441 Ti\n0.030567 0.021177 0.505174 Ti\n0.029612 0.511236 0.354085 Ti\n0.019302 0.018794 0.403810 Ti\n0.005071 0.503211 0.250828 Ti\n0.012699 0.007361 0.302006 Ti\n0.999530 0.499405 0.149894 Ti\n0.003963 0.002192 0.200616 Ti\n0.989467 0.489162 0.047863 Ti\n0.997524 0.993526 0.099105 Ti\n0.979434 0.983432 0.996287 Ti\n0.080739 0.762671 0.984341 O\n0.011171 0.793208 0.931024 O\n0.040058 0.247940 0.976785 O\n0.063473 0.759347 0.882282 O\n0.519909 0.727791 0.976785 O\n0.011758 0.781107 0.828755 O\n0.034961 0.248970 0.876744 O\n0.517029 0.299065 0.931024 O\n0.033462 0.752649 0.778611 O\n0.518472 0.732481 0.876744 O\n0.004583 0.770396 0.727107 O\n0.007403 0.236272 0.773869 O\n0.506448 0.275796 0.828755 O\n0.956175 0.262086 0.921826 O\n0.029412 0.750554 0.677997 O\n0.502414 0.731282 0.773869 O\n0.002231 0.767947 0.626785 O\n0.003522 0.235638 0.673575 O\n0.500670 0.266483 0.727107 O\n0.960674 0.255402 0.821608 O\n0.032334 0.748330 0.578066 O\n0.500116 0.732233 0.673575 O\n0.991087 0.765836 0.525906 O\n0.001413 0.232359 0.573039 O\n0.499908 0.265623 0.626785 O\n0.962527 0.251093 0.721362 O\n0.019930 0.740564 0.476049 O\n0.498033 0.728979 0.573039 O\n0.966961 0.765746 0.424661 O\n0.978275 0.210178 0.469323 O\n0.493221 0.267969 0.525906 O\n0.963191 0.249473 0.621266 O\n0.053617 0.736709 0.379033 O\n0.483047 0.714951 0.469323 O\n0.960670 0.755796 0.324060 O\n0.971914 0.193557 0.367377 O\n0.480863 0.279648 0.424661 O\n0.949027 0.246092 0.519512 O\n0.081187 0.740639 0.282183 O\n0.480212 0.701856 0.367377 O\n0.011495 0.794249 0.229528 O\n0.002225 0.205406 0.269786 O\n0.484806 0.279932 0.324060 O\n0.926431 0.240169 0.416660 O\n0.057277 0.751212 0.180849 O\n0.492451 0.695632 0.269786 O\n0.017626 0.800486 0.130176 O\n0.014604 0.219552 0.171996 O\n0.501028 0.283782 0.229528 O\n0.913085 0.234646 0.314773 O\n0.068599 0.758072 0.082667 O\n0.500411 0.705359 0.171996 O\n0.024636 0.806065 0.032400 O\n0.014607 0.218348 0.072550 O\n0.501277 0.284137 0.130176 O\n0.910619 0.247640 0.215826 O\n0.507147 0.710888 0.072550 O\n0.517938 0.299368 0.032400 O\n0.918771 0.254093 0.117286 O\n0.953887 0.260347 0.021423 O\n","nsites":100,"nelements":5,"elements":["Na","Sr","Nd","Ti","O"],"chemical_system":"Na-Nd-O-Sr-Ti","density":4.929079608764675,"density_atomic":0.08214309887936974,"volume":1217.3877217227196,"volume_molar":7.331280219709927,"formula_full":"Na7 Sr6 Nd7 Ti20 O60","formula_reduced":"Na7Sr6Nd7Ti20O60","formula_anonymous":"A6B7C7D20E60","energy":-848.2109129200002,"energy_per_atom":-8.482109129200001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-806.9909129200001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5787016,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.655000Z","spacegroup":8},{"id":"mp-8289","created_at":"2022-09-04T14:42:10.924265Z","structure_string":"Sn2 F6\n1.0\n0.000000 4.400437 4.400437\n4.400437 0.000000 4.400437\n4.400437 4.400437 0.000000\nSn F\n2 6\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.728607 0.728607 0.271393 F\n0.728607 0.271393 0.728607 F\n0.271393 0.271393 0.728607 F\n0.271393 0.728607 0.728607 F\n0.728607 0.271393 0.271393 F\n0.271393 0.728607 0.271393 F\n","nsites":8,"nelements":2,"elements":["Sn","F"],"chemical_system":"F-Sn","density":3.424098999747249,"density_atomic":0.04694318673128087,"volume":170.41876696174853,"volume_molar":12.82857253486609,"formula_full":"Sn2 F6","formula_reduced":"SnF3","formula_anonymous":"AB3","energy":-41.52500788,"energy_per_atom":-5.190625985,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.75300788,"band_gap":2.7195,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006331,"is_theoretical":false,"updated_at":"2021-11-28T01:35:38.880000Z","spacegroup":225},{"id":"mp-758799","created_at":"2022-09-04T14:42:03.442789Z","structure_string":"Li9 Co15 O28\n1.0\n7.846980 0.000000 0.000000\n-2.040943 8.000386 0.000000\n-2.133739 -2.912526 7.882770\nLi Co O\n9 15 28\ndirect\n0.500000 0.000000 0.500000 Li\n0.215827 0.144112 0.356069 Li\n0.434992 0.286007 0.714163 Li\n0.341857 0.584051 0.927133 Li\n0.134882 0.432242 0.568307 Li\n0.865118 0.567758 0.431693 Li\n0.658143 0.415949 0.072867 Li\n0.565008 0.713993 0.285837 Li\n0.784173 0.855888 0.643931 Li\n0.000000 0.000000 0.000000 Co\n0.357684 0.065795 0.921531 Co\n0.866049 0.074079 0.432524 Co\n0.073319 0.216336 0.785110 Co\n0.000000 0.500000 0.000000 Co\n0.789071 0.358369 0.645949 Co\n0.574600 0.216413 0.292230 Co\n0.712049 0.638600 0.855694 Co\n0.500000 0.500000 0.500000 Co\n0.287951 0.361400 0.144306 Co\n0.425400 0.783587 0.707770 Co\n0.210929 0.641631 0.354051 Co\n0.926681 0.783664 0.214890 Co\n0.133951 0.925921 0.567476 Co\n0.642316 0.934205 0.078469 Co\n0.393019 0.023193 0.702618 O\n0.927481 0.013895 0.223764 O\n0.817450 0.124448 0.641856 O\n0.028526 0.259583 0.995452 O\n0.124229 0.161742 0.575105 O\n0.332259 0.312352 0.921780 O\n0.618574 0.169450 0.081279 O\n0.849804 0.308216 0.446654 O\n0.284786 0.127288 0.130551 O\n0.498977 0.258540 0.489850 O\n0.724919 0.411970 0.848054 O\n0.071164 0.446327 0.796336 O\n0.756253 0.584289 0.634648 O\n0.552089 0.458040 0.288284 O\n0.447911 0.541960 0.711716 O\n0.243747 0.415711 0.365352 O\n0.928836 0.553673 0.203664 O\n0.275081 0.588030 0.151946 O\n0.501023 0.741460 0.510150 O\n0.715214 0.872712 0.869449 O\n0.150196 0.691784 0.553346 O\n0.381426 0.830550 0.918721 O\n0.667741 0.687648 0.078220 O\n0.875771 0.838258 0.424895 O\n0.971474 0.740417 0.004548 O\n0.182550 0.875552 0.358144 O\n0.072519 0.986105 0.776236 O\n0.606981 0.976807 0.297382 O\n","nsites":52,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.679072140200989,"density_atomic":0.10507780730698935,"volume":494.8713846690744,"volume_molar":5.731125262640909,"formula_full":"Li9 Co15 O28","formula_reduced":"Li9Co15O28","formula_anonymous":"A9B15C28","energy":-340.86829208,"energy_per_atom":-6.555159463076923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-297.06229208,"band_gap":0.5489000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001786,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.841000Z","spacegroup":2},{"id":"mp-1193693","created_at":"2022-09-04T14:42:03.445021Z","structure_string":"Er6 Al7 Cu16\n1.0\n0.000000 6.114888 6.114888\n6.114888 0.000000 6.114888\n6.114888 6.114888 0.000000\nEr Al Cu\n6 7 16\ndirect\n0.712640 0.712640 0.287360 Er\n0.287360 0.712640 0.287360 Er\n0.712640 0.287360 0.287360 Er\n0.287360 0.287360 0.712640 Er\n0.712640 0.287360 0.712640 Er\n0.287360 0.712640 0.712640 Er\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.877850 0.877850 0.366449 Cu\n0.877850 0.366449 0.877850 Cu\n0.366449 0.877850 0.877850 Cu\n0.877850 0.877850 0.877850 Cu\n0.122150 0.122150 0.633551 Cu\n0.122150 0.633551 0.122150 Cu\n0.633551 0.122150 0.122150 Cu\n0.122150 0.122150 0.122150 Cu\n0.672629 0.672629 0.982112 Cu\n0.672629 0.982112 0.672629 Cu\n0.982112 0.672629 0.672629 Cu\n0.672629 0.672629 0.672629 Cu\n0.327371 0.327371 0.017888 Cu\n0.327371 0.017888 0.327371 Cu\n0.017888 0.327371 0.327371 Cu\n0.327371 0.327371 0.327371 Cu\n","nsites":29,"nelements":3,"elements":["Er","Al","Cu"],"chemical_system":"Al-Cu-Er","density":8.021967599194868,"density_atomic":0.0634165309724437,"volume":457.2940139630365,"volume_molar":9.496168692382108,"formula_full":"Er6 Al7 Cu16","formula_reduced":"Er6Al7Cu16","formula_anonymous":"A6B7C16","energy":-130.14795924,"energy_per_atom":-4.487860663448276,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.14795924,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.194564,"is_theoretical":false,"updated_at":"2021-11-28T01:35:31.208000Z","spacegroup":225}]}