{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=112","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=110","results":[{"id":"mp-21895","created_at":"2022-09-04T14:39:06.387645Z","structure_string":"Na30 Pb8\n1.0\n-6.666042 6.666042 6.666042\n6.666042 -6.666042 6.666042\n6.666042 6.666042 -6.666042\nNa Pb\n30 8\ndirect\n0.625000 0.375000 0.250000 Na\n0.250000 0.625000 0.375000 Na\n0.750000 0.875000 0.125000 Na\n0.125000 0.750000 0.875000 Na\n0.375000 0.250000 0.625000 Na\n0.875000 0.125000 0.750000 Na\n0.083748 0.276906 0.116752 Na\n0.693157 0.033003 0.916252 Na\n0.883248 0.466997 0.160154 Na\n0.160154 0.883248 0.466997 Na\n0.339846 0.806843 0.723094 Na\n0.723094 0.339846 0.806843 Na\n0.033003 0.916252 0.693157 Na\n0.223094 0.306843 0.839846 Na\n0.193157 0.416252 0.533003 Na\n0.966997 0.383248 0.660154 Na\n0.306843 0.839846 0.223094 Na\n0.533003 0.193157 0.416252 Na\n0.383248 0.660154 0.966997 Na\n0.116752 0.083748 0.276906 Na\n0.276906 0.116752 0.083748 Na\n0.839846 0.223094 0.306843 Na\n0.416252 0.533003 0.193157 Na\n0.660154 0.966997 0.383248 Na\n0.616752 0.776906 0.583748 Na\n0.583748 0.616752 0.776906 Na\n0.776906 0.583748 0.616752 Na\n0.806843 0.723094 0.339846 Na\n0.916252 0.693157 0.033003 Na\n0.466997 0.160154 0.883248 Na\n0.417424 0.417424 0.417424 Pb\n0.500000 0.000000 0.582576 Pb\n0.582576 0.500000 0.000000 Pb\n0.000000 0.582576 0.500000 Pb\n0.082576 0.500000 0.000000 Pb\n0.000000 0.082576 0.500000 Pb\n0.500000 0.000000 0.082576 Pb\n0.917424 0.917424 0.917424 Pb\n","nsites":38,"nelements":2,"elements":["Na","Pb"],"chemical_system":"Na-Pb","density":3.289669644210366,"density_atomic":0.03207151445800666,"volume":1184.8520608453302,"volume_molar":18.77722602680701,"formula_full":"Na30 Pb8","formula_reduced":"Na15Pb4","formula_anonymous":"A4B15","energy":-74.55185731,"energy_per_atom":-1.9618909818421053,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.55185731,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.9927908,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.745000Z","spacegroup":220},{"id":"mp-555855","created_at":"2022-09-04T14:39:10.020051Z","structure_string":"Sr2 Ca1 Cu2 Bi2 O8\n1.0\n-1.876228 1.876228 15.908390\n1.876228 -1.876228 15.908390\n1.876228 1.876228 -15.908390\nSr Ca Cu Bi O\n2 1 2 2 8\ndirect\n0.892123 0.892123 0.000000 Sr\n0.107877 0.107877 0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n0.548042 0.548042 0.000000 Cu\n0.451958 0.451958 0.000000 Cu\n0.301934 0.301934 0.000000 Bi\n0.698066 0.698066 0.000000 Bi\n0.197047 0.197047 0.000000 O\n0.449664 0.949664 0.500000 O\n0.550337 0.050337 0.500000 O\n0.802953 0.802953 0.000000 O\n0.366928 0.366928 0.000000 O\n0.633072 0.633072 0.000000 O\n0.949664 0.449664 0.500000 O\n0.050337 0.550337 0.500000 O\n","nsites":15,"nelements":5,"elements":["Sr","Ca","Cu","Bi","O"],"chemical_system":"Bi-Ca-Cu-O-Sr","density":6.585421537245504,"density_atomic":0.0669628319998735,"volume":224.00486287719036,"volume_molar":8.99325876780626,"formula_full":"Sr2 Ca1 Cu2 Bi2 O8","formula_reduced":"Sr2CaCu2(BiO4)2","formula_anonymous":"AB2C2D2E8","energy":-91.45408612,"energy_per_atom":-6.0969390746666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.95808612,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006279,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.095000Z","spacegroup":139},{"id":"mp-973225","created_at":"2022-09-04T14:39:07.075261Z","structure_string":"Na2 Cr1 H2 F8\n1.0\n4.026874 3.716836 0.000000\n-4.026874 3.716836 0.000000\n0.000000 2.257223 5.000341\nNa Cr H F\n2 1 2 8\ndirect\n0.737579 0.262421 0.500000 Na\n0.262421 0.737579 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.346073 0.346073 0.217863 H\n0.653927 0.653927 0.782137 H\n0.678417 0.001701 0.220652 F\n0.143570 0.143570 0.222247 F\n0.998299 0.321583 0.779348 F\n0.459874 0.459874 0.264994 F\n0.540126 0.540126 0.735006 F\n0.001701 0.678417 0.220652 F\n0.856430 0.856430 0.777753 F\n0.321583 0.998299 0.779348 F\n","nsites":13,"nelements":4,"elements":["Na","Cr","H","F"],"chemical_system":"Cr-F-H-Na","density":2.795387037468407,"density_atomic":0.0868504943316771,"volume":149.68251015767095,"volume_molar":6.933916503689417,"formula_full":"Na2 Cr1 H2 F8","formula_reduced":"Na2CrH2F8","formula_anonymous":"AB2C2D8","energy":-67.75025378000001,"energy_per_atom":-5.211557983076924,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.05525378,"band_gap":1.589,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999775,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.341000Z","spacegroup":12},{"id":"mp-1079103","created_at":"2022-09-04T14:39:14.075851Z","structure_string":"La2 Cu2 Sb4\n1.0\n4.388580 0.000000 0.000000\n0.000000 4.388580 0.000000\n0.000000 0.000000 10.340965\nLa Cu Sb\n2 2 4\ndirect\n0.000000 0.500000 0.749332 La\n0.500000 0.000000 0.250668 La\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.351442 Sb\n0.500000 0.000000 0.648558 Sb\n","nsites":8,"nelements":3,"elements":["La","Cu","Sb"],"chemical_system":"Cu-La-Sb","density":7.4366452075236635,"density_atomic":0.04016806208465621,"volume":199.16320541278785,"volume_molar":14.992360715107528,"formula_full":"La2 Cu2 Sb4","formula_reduced":"LaCuSb2","formula_anonymous":"ABC2","energy":-41.20057879,"energy_per_atom":-5.15007234875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.43257879,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.011137,"is_theoretical":false,"updated_at":"2021-11-28T01:34:34.737000Z","spacegroup":129},{"id":"mp-29041","created_at":"2022-09-04T14:39:09.534304Z","structure_string":"La11 V4 O26\n1.0\n7.116656 0.000000 0.000000\n3.554474 9.656782 0.000000\n3.303791 1.213677 9.751375\nLa V O\n11 4 26\ndirect\n0.177482 0.638710 0.660954 La\n0.278685 0.985099 0.405053 La\n0.822518 0.361290 0.339046 La\n0.721315 0.014901 0.594947 La\n0.123557 0.970044 0.807844 La\n0.876443 0.029956 0.192156 La\n0.018960 0.331173 0.953341 La\n0.981040 0.668827 0.046659 La\n0.590365 0.657169 0.842915 La\n0.409635 0.342831 0.157085 La\n0.500000 0.000000 0.000000 La\n0.599590 0.317380 0.805113 V\n0.400410 0.682620 0.194887 V\n0.723440 0.728221 0.457608 V\n0.276560 0.271779 0.542392 V\n0.863164 0.631372 0.323782 O\n0.136836 0.368628 0.676218 O\n0.395471 0.263673 0.937360 O\n0.604529 0.736327 0.062640 O\n0.324288 0.605721 0.086856 O\n0.675712 0.394279 0.913144 O\n0.175086 0.315543 0.399106 O\n0.824914 0.684457 0.600894 O\n0.230744 0.848603 0.247951 O\n0.769256 0.151397 0.752049 O\n0.534728 0.266662 0.498314 O\n0.465272 0.733338 0.501686 O\n0.763398 0.273512 0.167464 O\n0.236602 0.726488 0.832536 O\n0.516504 0.461454 0.690806 O\n0.136453 0.081574 0.989129 O\n0.863547 0.918426 0.010871 O\n0.301194 0.092147 0.594562 O\n0.698806 0.907853 0.405438 O\n0.049129 0.892497 0.615995 O\n0.483496 0.538546 0.309194 O\n0.054506 0.420112 0.132574 O\n0.945494 0.579888 0.867426 O\n0.516284 0.906293 0.801205 O\n0.483716 0.093707 0.198795 O\n0.950871 0.107503 0.384005 O\n","nsites":41,"nelements":3,"elements":["La","V","O"],"chemical_system":"La-O-V","density":5.321702504784244,"density_atomic":0.061180017598318495,"volume":670.1534522135682,"volume_molar":9.843313219585466,"formula_full":"La11 V4 O26","formula_reduced":"La11V4O26","formula_anonymous":"A4B11C26","energy":-362.7277613899999,"energy_per_atom":-8.847018570487803,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-338.06576139,"band_gap":0.0301,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0002234,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.964000Z","spacegroup":2},{"id":"mp-19369","created_at":"2022-09-04T14:39:14.097074Z","structure_string":"Ti8 Cr4 O20\n1.0\n5.200133 0.000005 0.000001\n0.000009 9.679347 -3.549611\n0.000002 0.114770 7.067045\nTi Cr O\n8 4 20\ndirect\n0.483034 0.134267 0.220429 Ti\n0.983034 0.634270 0.220431 Ti\n0.983033 0.365731 0.279571 Ti\n0.483032 0.865734 0.279572 Ti\n0.516967 0.134266 0.720431 Ti\n0.016967 0.634270 0.720431 Ti\n0.016966 0.365729 0.779570 Ti\n0.516968 0.865735 0.779572 Ti\n0.499976 0.500002 0.999997 Cr\n0.500022 0.499991 0.499995 Cr\n0.000020 0.999998 0.999998 Cr\n0.999989 0.000003 0.499986 Cr\n0.792113 0.000002 0.750001 O\n0.292117 0.500001 0.749998 O\n0.207891 0.999998 0.250000 O\n0.707882 0.499999 0.250002 O\n0.854387 0.416643 0.557004 O\n0.354378 0.916650 0.557006 O\n0.354376 0.083351 0.942997 O\n0.854379 0.583355 0.942999 O\n0.645616 0.083353 0.442994 O\n0.145617 0.583355 0.442999 O\n0.145615 0.416646 0.057004 O\n0.645622 0.916650 0.057007 O\n0.187441 0.204195 0.670480 O\n0.687448 0.704203 0.670480 O\n0.687448 0.295797 0.829519 O\n0.187442 0.795805 0.829526 O\n0.312552 0.295797 0.329522 O\n0.812559 0.795805 0.329526 O\n0.812558 0.204194 0.170475 O\n0.312552 0.704204 0.170482 O\n","nsites":32,"nelements":3,"elements":["Ti","Cr","O"],"chemical_system":"Cr-O-Ti","density":4.227139945628454,"density_atomic":0.08942785210399813,"volume":357.83035427023685,"volume_molar":6.734077380050104,"formula_full":"Ti8 Cr4 O20","formula_reduced":"Ti2CrO5","formula_anonymous":"AB2C5","energy":-299.67481397,"energy_per_atom":-9.3648379365625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-277.93881397,"band_gap":0.2123999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.1e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.647000Z","spacegroup":15},{"id":"mp-1197937","created_at":"2022-09-04T14:39:09.535488Z","structure_string":"H96 Rh8 N48 O60\n1.0\n15.228045 0.000000 0.000000\n0.000000 12.269180 0.000000\n0.000000 0.000000 10.542898\nH Rh N O\n96 8 48 60\ndirect\n0.533912 0.872205 0.827125 H\n0.466088 0.127795 0.327125 H\n0.966088 0.372205 0.327125 H\n0.033912 0.627795 0.827125 H\n0.495146 0.838226 0.687469 H\n0.504854 0.161774 0.187469 H\n0.004854 0.338226 0.187469 H\n0.995146 0.661774 0.687469 H\n0.467358 0.766437 0.811384 H\n0.532642 0.233563 0.311384 H\n0.032642 0.266437 0.311384 H\n0.967358 0.733563 0.811384 H\n0.669329 0.855734 0.909783 H\n0.330671 0.144266 0.409783 H\n0.830671 0.355734 0.409783 H\n0.169329 0.644266 0.909783 H\n0.747159 0.763835 0.911757 H\n0.252841 0.236165 0.411757 H\n0.752841 0.263835 0.411757 H\n0.247159 0.736165 0.911757 H\n0.745116 0.853957 0.793642 H\n0.254884 0.146043 0.293642 H\n0.754884 0.353957 0.293642 H\n0.245116 0.646043 0.793642 H\n0.639498 0.632866 0.981457 H\n0.360502 0.367134 0.481457 H\n0.860502 0.132866 0.481457 H\n0.139498 0.867134 0.981457 H\n0.532256 0.642376 0.950818 H\n0.467744 0.357624 0.450818 H\n0.967744 0.142376 0.450818 H\n0.032256 0.857624 0.950818 H\n0.590348 0.535414 0.902633 H\n0.409652 0.464586 0.402633 H\n0.909652 0.035414 0.402633 H\n0.090348 0.964586 0.902633 H\n0.726478 0.529724 0.689279 H\n0.273522 0.470276 0.189279 H\n0.773522 0.029724 0.189279 H\n0.226478 0.970276 0.689279 H\n0.787102 0.645433 0.692632 H\n0.212898 0.354567 0.192632 H\n0.712898 0.145433 0.192632 H\n0.287102 0.854567 0.692632 H\n0.762621 0.582023 0.826763 H\n0.237379 0.417977 0.326763 H\n0.737379 0.082023 0.326763 H\n0.262621 0.917977 0.826763 H\n0.531118 0.866342 0.330910 H\n0.468882 0.133658 0.830910 H\n0.968882 0.366342 0.830910 H\n0.031118 0.633658 0.330910 H\n0.463312 0.767479 0.376056 H\n0.536688 0.232521 0.876056 H\n0.036688 0.267479 0.876056 H\n0.963312 0.732521 0.376056 H\n0.497991 0.858900 0.478598 H\n0.502009 0.141100 0.978598 H\n0.002009 0.358900 0.978598 H\n0.997991 0.641100 0.478598 H\n0.669019 0.894889 0.329545 H\n0.330981 0.105111 0.829545 H\n0.830981 0.394889 0.829545 H\n0.169019 0.605111 0.329545 H\n0.761395 0.835296 0.375597 H\n0.238605 0.164704 0.875597 H\n0.738605 0.335296 0.875597 H\n0.261395 0.664704 0.375597 H\n0.713922 0.800621 0.238737 H\n0.286078 0.199379 0.738737 H\n0.786078 0.300621 0.738737 H\n0.213922 0.699379 0.238737 H\n0.530874 0.656111 0.222538 H\n0.469126 0.343889 0.722538 H\n0.969126 0.156111 0.722538 H\n0.030874 0.843889 0.222538 H\n0.636358 0.625253 0.195124 H\n0.363642 0.374747 0.695124 H\n0.863642 0.125253 0.695124 H\n0.136358 0.874747 0.195124 H\n0.574668 0.544940 0.282518 H\n0.425332 0.455060 0.782518 H\n0.925332 0.044940 0.782518 H\n0.074668 0.955060 0.282518 H\n0.723510 0.530057 0.463904 H\n0.276490 0.469943 0.963904 H\n0.776490 0.030057 0.963904 H\n0.223510 0.969943 0.463904 H\n0.762439 0.594060 0.335660 H\n0.237561 0.405940 0.835660 H\n0.737561 0.094060 0.835660 H\n0.262439 0.905940 0.335660 H\n0.788197 0.639352 0.478437 H\n0.211803 0.360648 0.978437 H\n0.711803 0.139352 0.978437 H\n0.288197 0.860648 0.478437 H\n0.627336 0.701519 0.744763 Rh\n0.372664 0.298481 0.244763 Rh\n0.872664 0.201519 0.244763 Rh\n0.127336 0.798481 0.744763 Rh\n0.626510 0.707388 0.430141 Rh\n0.373490 0.292612 0.930141 Rh\n0.873490 0.207388 0.930141 Rh\n0.126510 0.792612 0.430141 Rh\n0.519065 0.806500 0.770256 N\n0.480935 0.193500 0.270256 N\n0.980935 0.306500 0.270256 N\n0.019065 0.693500 0.770256 N\n0.706447 0.806486 0.851887 N\n0.293553 0.193514 0.351887 N\n0.793553 0.306486 0.351887 N\n0.206447 0.693514 0.851887 N\n0.591955 0.618584 0.913900 N\n0.408045 0.381416 0.413900 N\n0.908045 0.118584 0.413900 N\n0.091955 0.881416 0.913900 N\n0.738455 0.601569 0.737884 N\n0.261545 0.398431 0.237884 N\n0.761545 0.101569 0.237884 N\n0.238455 0.898431 0.737884 N\n0.517370 0.811748 0.403195 N\n0.482630 0.188252 0.903195 N\n0.982630 0.311748 0.903195 N\n0.017370 0.688252 0.403195 N\n0.701783 0.821964 0.331116 N\n0.298217 0.178036 0.831116 N\n0.798217 0.321964 0.831116 N\n0.201783 0.678036 0.331116 N\n0.587447 0.625095 0.262458 N\n0.412553 0.374905 0.762458 N\n0.912553 0.125095 0.762458 N\n0.087447 0.874905 0.262458 N\n0.737731 0.605900 0.426394 N\n0.262269 0.394100 0.926394 N\n0.762269 0.105900 0.926394 N\n0.237731 0.894100 0.426394 N\n0.926048 0.427910 0.590592 N\n0.073952 0.572090 0.090592 N\n0.573952 0.927910 0.090592 N\n0.426048 0.072090 0.590592 N\n0.630365 0.364123 0.593518 N\n0.369635 0.635877 0.093518 N\n0.869635 0.864123 0.093518 N\n0.130365 0.135877 0.593518 N\n0.644961 0.343732 0.081897 N\n0.355039 0.656268 0.581897 N\n0.855039 0.843732 0.581897 N\n0.144961 0.156268 0.081897 N\n0.804109 0.576228 0.085891 N\n0.195891 0.423772 0.585891 N\n0.695891 0.076228 0.585891 N\n0.304109 0.923772 0.085891 N\n0.552563 0.596655 0.649823 O\n0.447437 0.403345 0.149823 O\n0.947437 0.096655 0.149823 O\n0.052563 0.903345 0.649823 O\n0.554191 0.596704 0.521091 O\n0.445809 0.403296 0.021091 O\n0.945809 0.096704 0.021091 O\n0.054191 0.903296 0.521091 O\n0.663273 0.775320 0.588748 O\n0.336727 0.224680 0.088748 O\n0.836727 0.275320 0.088748 O\n0.163273 0.724680 0.588748 O\n0.918834 0.325414 0.588220 O\n0.081166 0.674586 0.088220 O\n0.581166 0.825414 0.088220 O\n0.418834 0.174586 0.588220 O\n0.934515 0.477889 0.695795 O\n0.065485 0.522111 0.195795 O\n0.565485 0.977889 0.195795 O\n0.434515 0.022111 0.695795 O\n0.923314 0.481937 0.487268 O\n0.076686 0.518063 0.987268 O\n0.576686 0.981937 0.987268 O\n0.423314 0.018063 0.487268 O\n0.599611 0.352082 0.703401 O\n0.400389 0.647918 0.203401 O\n0.900389 0.852082 0.203401 O\n0.099611 0.147918 0.703401 O\n0.590808 0.329292 0.496559 O\n0.409192 0.670708 0.996559 O\n0.909192 0.829292 0.996559 O\n0.090808 0.170708 0.496559 O\n0.704689 0.412765 0.580168 O\n0.295311 0.587235 0.080168 O\n0.795311 0.912765 0.080168 O\n0.204689 0.087235 0.580168 O\n0.636872 0.241760 0.106101 O\n0.363128 0.758240 0.606101 O\n0.863128 0.741760 0.606101 O\n0.136872 0.258240 0.106101 O\n0.638393 0.374919 0.967576 O\n0.361607 0.625081 0.467576 O\n0.861607 0.874919 0.467576 O\n0.138393 0.125081 0.967576 O\n0.658593 0.410689 0.169838 O\n0.341407 0.589311 0.669838 O\n0.841407 0.910689 0.669838 O\n0.158593 0.089311 0.169838 O\n0.834058 0.544659 0.190746 O\n0.165942 0.455341 0.690746 O\n0.665942 0.044659 0.690746 O\n0.334058 0.955341 0.190746 O\n0.831867 0.537888 0.982387 O\n0.168133 0.462112 0.482387 O\n0.668133 0.037888 0.482387 O\n0.331867 0.962112 0.982387 O\n0.743816 0.650454 0.083925 O\n0.256184 0.349546 0.583925 O\n0.756184 0.150454 0.583925 O\n0.243816 0.849546 0.083925 O\n","nsites":212,"nelements":4,"elements":["H","Rh","N","O"],"chemical_system":"H-N-O-Rh","density":2.1515910797845863,"density_atomic":0.10762574397130815,"volume":1969.7889387553676,"volume_molar":5.595446347488605,"formula_full":"H96 Rh8 N48 O60","formula_reduced":"H24Rh2(N4O5)3","formula_anonymous":"A2B12C15D24","energy":-1187.6233809100002,"energy_per_atom":-5.601997079764152,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1177.96338091,"band_gap":0.7143999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.2884786,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.516000Z","spacegroup":33},{"id":"mp-22537","created_at":"2022-09-04T14:39:06.629524Z","structure_string":"Er3 Sn1 C1\n1.0\n5.552727 0.000000 0.000000\n0.000000 5.552727 0.000000\n0.000000 0.000000 5.552727\nEr Sn C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":3,"elements":["Er","Sn","C"],"chemical_system":"C-Er-Sn","density":6.134640004639514,"density_atomic":0.029204584959465582,"volume":171.20599409098728,"volume_molar":20.62053190743307,"formula_full":"Er3 Sn1 C1","formula_reduced":"Er3SnC","formula_anonymous":"ABC3","energy":-19.50781918,"energy_per_atom":-3.901563836,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.50781918,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001895,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.451000Z","spacegroup":221},{"id":"mp-1078879","created_at":"2022-09-04T14:39:10.019563Z","structure_string":"Li2 Pr2 Sn4\n1.0\n2.246813 -9.673015 0.000000\n2.246813 9.673015 0.000000\n0.000000 0.000000 4.575159\nLi Pr Sn\n2 2 4\ndirect\n0.674118 0.325882 0.750000 Li\n0.325882 0.674118 0.250000 Li\n0.894359 0.105641 0.750000 Pr\n0.105641 0.894359 0.250000 Pr\n0.543317 0.456683 0.750000 Sn\n0.456683 0.543317 0.250000 Sn\n0.250642 0.749358 0.750000 Sn\n0.749358 0.250642 0.250000 Sn\n","nsites":8,"nelements":3,"elements":["Li","Pr","Sn"],"chemical_system":"Li-Pr-Sn","density":6.433951572154837,"density_atomic":0.040227682188965615,"volume":198.86803227739495,"volume_molar":14.970141037983698,"formula_full":"Li2 Pr2 Sn4","formula_reduced":"LiPrSn2","formula_anonymous":"ABC2","energy":-34.03561429,"energy_per_atom":-4.25445178625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.03561429,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.78e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.537000Z","spacegroup":63},{"id":"mp-1078419","created_at":"2022-09-04T14:39:09.553540Z","structure_string":"Na3 P1 Se4\n1.0\n-3.689800 3.689800 3.689800\n3.689800 -3.689800 3.689800\n3.689800 3.689800 -3.689800\nNa P Se\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 P\n0.351780 0.000000 0.000000 Se\n0.000000 0.351780 0.000000 Se\n0.000000 0.000000 0.351780 Se\n0.648220 0.648220 0.648220 Se\n","nsites":8,"nelements":3,"elements":["Na","P","Se"],"chemical_system":"Na-P-Se","density":3.435954688807416,"density_atomic":0.03981268943171437,"volume":200.94095913116797,"volume_molar":15.126184254216263,"formula_full":"Na3 P1 Se4","formula_reduced":"Na3PSe4","formula_anonymous":"AB3C4","energy":-31.21540417,"energy_per_atom":-3.90192552125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.32740417,"band_gap":1.1168999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001145,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.106000Z","spacegroup":217},{"id":"mp-3268","created_at":"2022-09-04T14:39:09.557449Z","structure_string":"Yb1 B2 Ru3\n1.0\n2.781670 -4.817993 0.000000\n2.781670 4.817993 0.000000\n0.000000 0.000000 2.948440\nYb B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n","nsites":6,"nelements":3,"elements":["Yb","B","Ru"],"chemical_system":"B-Ru-Yb","density":10.460988833160025,"density_atomic":0.07592017297279033,"volume":79.03037842327349,"volume_molar":7.932201053016997,"formula_full":"Yb1 B2 Ru3","formula_reduced":"YbB2Ru3","formula_anonymous":"AB2C3","energy":-44.86022506,"energy_per_atom":-7.476704176666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.86022506,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018066,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.783000Z","spacegroup":191},{"id":"mp-11166","created_at":"2022-09-04T14:39:26.684178Z","structure_string":"Ba2 Zn2 C2 O6 F4\n1.0\n2.460077 -4.260978 0.000000\n2.460077 4.260978 0.000000\n0.000000 0.000000 10.133644\nBa Zn C O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.750000 Zn\n0.333333 0.666667 0.250000 Zn\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.250000 C\n0.896869 0.620709 0.250000 O\n0.276160 0.896869 0.750000 O\n0.723840 0.103131 0.250000 O\n0.103131 0.379291 0.750000 O\n0.379291 0.276160 0.250000 O\n0.620709 0.723840 0.750000 O\n0.333333 0.666667 0.452085 F\n0.666667 0.333333 0.952085 F\n0.333333 0.666667 0.047915 F\n0.666667 0.333333 0.547915 F\n","nsites":16,"nelements":5,"elements":["Ba","Zn","C","O","F"],"chemical_system":"Ba-C-F-O-Zn","density":4.701312513003451,"density_atomic":0.07531237634778579,"volume":212.4484815897116,"volume_molar":7.996216627384449,"formula_full":"Ba2 Zn2 C2 O6 F4","formula_reduced":"BaZnCO3F2","formula_anonymous":"ABCD2E3","energy":-105.51373841,"energy_per_atom":-6.594608650625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.54373841,"band_gap":4.7744,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.37e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.363000Z","spacegroup":176}]}