{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=108","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=106","results":[{"id":"mp-1233888","created_at":"2022-09-04T14:42:49.531739Z","structure_string":"Sr4 Mg1 Mn2 Cu3 S4 O4\n1.0\n-4.076310 4.559881 -0.000936\n-4.113977 -4.594760 -0.000061\n-2.036995 2.279494 8.606652\nSr Mg Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.336982 0.059462 0.191415 Sr\n0.972931 0.443059 0.191653 Sr\n0.091721 0.505236 0.803611 Sr\n0.604140 0.994330 0.803708 Sr\n0.640364 0.749003 0.216065 Mg\n0.522330 0.497929 0.956200 Mn\n0.020663 0.002123 0.957067 Mn\n0.493697 0.249463 0.512930 Cu\n0.487944 0.750516 0.523469 Cu\n0.993406 0.249649 0.511234 Cu\n0.185482 0.992159 0.658628 S\n0.655550 0.507770 0.658254 S\n0.326032 0.479996 0.373910 S\n0.799511 0.019470 0.372472 S\n0.249492 0.250467 0.000085 O\n0.754098 0.749309 0.992805 O\n0.754201 0.249707 0.990171 O\n0.246869 0.750349 0.007751 O\n","nsites":18,"nelements":6,"elements":["Sr","Mg","Mn","Cu","S","O"],"chemical_system":"Cu-Mg-Mn-O-S-Sr","density":4.464638284087247,"density_atomic":0.05578427890100128,"volume":322.67155468557854,"volume_molar":10.795408453136622,"formula_full":"Sr4 Mg1 Mn2 Cu3 S4 O4","formula_reduced":"Sr4MgMn2Cu3(SO)4","formula_anonymous":"AB2C3D4E4F4","energy":-103.89760101,"energy_per_atom":-5.772088945,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.80160101,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.900837,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.477000Z","spacegroup":5},{"id":"mp-1177657","created_at":"2022-09-04T14:42:56.371130Z","structure_string":"Li4 Cr1 Fe3 Sn2 P6 O24\n1.0\n8.520968 0.000000 0.000000\n-4.243111 7.439214 0.000000\n-4.172023 -2.521614 7.841899\nLi Cr Fe Sn P O\n4 1 3 2 6 24\ndirect\n0.548134 0.888413 0.851799 Li\n0.457104 0.095456 0.171486 Li\n0.817074 0.718583 0.158187 Li\n0.066732 0.355172 0.168251 Li\n0.304032 0.156266 0.448564 Cr\n0.686346 0.842572 0.531881 Fe\n0.313648 0.648602 0.991391 Fe\n0.685608 0.345117 0.039172 Fe\n0.993252 0.997269 0.937319 Sn\n0.035836 0.513547 0.579868 Sn\n0.509016 0.550431 0.753713 P\n0.495469 0.452192 0.259006 P\n0.804190 0.042681 0.248412 P\n0.218103 0.763334 0.259348 P\n0.785777 0.237227 0.750795 P\n0.204446 0.965242 0.748116 P\n0.286921 0.818145 0.126390 O\n0.299413 0.449298 0.121538 O\n0.849824 0.100172 0.721239 O\n0.659235 0.860640 0.090970 O\n0.585632 0.189697 0.589641 O\n0.975027 0.443004 0.788892 O\n0.975020 0.872316 0.717244 O\n0.251388 0.806641 0.765249 O\n0.615997 0.604525 0.427889 O\n0.332686 0.543122 0.779119 O\n0.408160 0.253260 0.287207 O\n0.796077 0.985722 0.402748 O\n0.210887 0.031594 0.600138 O\n0.633031 0.757766 0.740411 O\n0.650670 0.488108 0.201590 O\n0.402474 0.403159 0.589686 O\n0.732121 0.178341 0.207168 O\n0.035662 0.148560 0.284737 O\n0.029735 0.556804 0.193756 O\n0.407855 0.796301 0.428568 O\n0.355406 0.118078 0.924153 O\n0.145932 0.890877 0.288724 O\n0.669794 0.544214 0.916172 O\n0.766288 0.210551 0.909469 O\n","nsites":40,"nelements":6,"elements":["Li","Cr","Fe","Sn","P","O"],"chemical_system":"Cr-Fe-Li-O-P-Sn","density":3.5227049678472295,"density_atomic":0.08046791722230429,"volume":497.0925230920816,"volume_molar":7.483902862010165,"formula_full":"Li4 Cr1 Fe3 Sn2 P6 O24","formula_reduced":"Li4CrFe3Sn2(PO4)6","formula_anonymous":"AB2C3D4E6F24","energy":-300.0038444,"energy_per_atom":-7.500096109999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-274.7488444,"band_gap":1.8994,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.707000Z","spacegroup":1},{"id":"mp-1214800","created_at":"2022-09-04T14:43:01.667537Z","structure_string":"Ba2 Ca2 Eu1 Ti3 Cu2 O14\n1.0\n3.913654 0.000000 0.000000\n0.000000 3.913654 0.000000\n0.000000 0.000000 19.735055\nBa Ca Eu Ti Cu O\n2 2 1 3 2 14\ndirect\n0.500000 0.500000 0.304909 Ba\n0.500000 0.500000 0.695091 Ba\n0.500000 0.500000 0.101696 Ca\n0.500000 0.500000 0.898304 Ca\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.197875 Ti\n0.000000 0.000000 0.802125 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.409170 Cu\n0.000000 0.000000 0.590830 Cu\n0.000000 0.500000 0.192547 O\n0.000000 0.500000 0.807453 O\n0.500000 0.000000 0.192547 O\n0.500000 0.000000 0.807453 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.424834 O\n0.000000 0.500000 0.575166 O\n0.500000 0.000000 0.424834 O\n0.500000 0.000000 0.575166 O\n0.000000 0.000000 0.097582 O\n0.000000 0.000000 0.902418 O\n0.000000 0.000000 0.295856 O\n0.000000 0.000000 0.704144 O\n","nsites":24,"nelements":6,"elements":["Ba","Ca","Eu","Ti","Cu","O"],"chemical_system":"Ba-Ca-Cu-Eu-O-Ti","density":5.5014719289674705,"density_atomic":0.07939772253362463,"volume":302.275672829735,"volume_molar":7.584777708768216,"formula_full":"Ba2 Ca2 Eu1 Ti3 Cu2 O14","formula_reduced":"Ba2Ca2EuTi3(CuO7)2","formula_anonymous":"AB2C2D2E3F14","energy":-189.80070099,"energy_per_atom":-7.90836254125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.18270099,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.5031512,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.564000Z","spacegroup":123},{"id":"mp-1179748","created_at":"2022-09-04T14:42:54.687699Z","structure_string":"Rb2 Hg2 C4 N4 Cl2 O2\n1.0\n2.467003 -8.987314 0.000000\n2.467003 8.987314 0.000000\n0.000000 0.000000 11.009489\nRb Hg C N Cl O\n2 2 4 4 2 2\ndirect\n0.276365 0.723635 0.250000 Rb\n0.723635 0.276365 0.750000 Rb\n0.000000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.887303 0.112697 0.525922 C\n0.112697 0.887303 0.474078 C\n0.887303 0.112697 0.974078 C\n0.112697 0.887303 0.025922 C\n0.822541 0.177459 0.535079 N\n0.177459 0.822541 0.464922 N\n0.822541 0.177459 0.964922 N\n0.177459 0.822541 0.035079 N\n0.946953 0.053047 0.250000 Cl\n0.053047 0.946953 0.750000 Cl\n0.674414 0.325586 0.250000 O\n0.325586 0.674414 0.750000 O\n","nsites":16,"nelements":6,"elements":["Rb","Hg","C","N","Cl","O"],"chemical_system":"C-Cl-Hg-N-O-Rb","density":2.6499640175246237,"density_atomic":0.0327735308177146,"volume":488.19884830204967,"volume_molar":18.375013645905188,"formula_full":"Rb2 Hg2 C4 N4 Cl2 O2","formula_reduced":"RbHgC2N2ClO","formula_anonymous":"ABCDE2F2","energy":-85.92617597,"energy_per_atom":-5.370385998125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.88017597,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7129126,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.700000Z","spacegroup":63},{"id":"mp-720670","created_at":"2022-09-04T14:43:01.460313Z","structure_string":"Na10 Zn7 Sn7 H24 S26 O12\n1.0\n11.063218 -6.382819 0.000000\n11.063218 6.382819 0.000000\n7.380711 0.000000 10.424024\nNa Zn Sn H S O\n10 7 7 24 26 12\ndirect\n0.749779 0.749779 0.749779 Na\n0.644266 0.644266 0.644266 Na\n0.650386 0.648769 0.060338 Na\n0.648769 0.060338 0.650386 Na\n0.060338 0.650386 0.648769 Na\n0.567910 0.141853 0.142727 Na\n0.141853 0.142727 0.567910 Na\n0.249732 0.249732 0.249732 Na\n0.142727 0.567910 0.141853 Na\n0.145209 0.145209 0.145209 Na\n0.924453 0.924453 0.924453 Zn\n0.923482 0.924023 0.224549 Zn\n0.924023 0.224549 0.923482 Zn\n0.224549 0.923482 0.924023 Zn\n0.740416 0.419124 0.421907 Zn\n0.421907 0.740416 0.419124 Zn\n0.419124 0.421907 0.740416 Zn\n0.749908 0.751157 0.249214 Sn\n0.751157 0.249214 0.749908 Sn\n0.249214 0.749908 0.751157 Sn\n0.762113 0.248668 0.239895 Sn\n0.426612 0.426612 0.426612 Sn\n0.239895 0.762113 0.248668 Sn\n0.248668 0.239895 0.762113 Sn\n0.923745 0.902613 0.647954 H\n0.902613 0.647954 0.923745 H\n0.923810 0.526745 0.902252 H\n0.902252 0.923810 0.526745 H\n0.647954 0.923745 0.902613 H\n0.922926 0.647458 0.526503 H\n0.899756 0.526113 0.647960 H\n0.526745 0.902252 0.923810 H\n0.647458 0.526503 0.922926 H\n0.647960 0.899756 0.526113 H\n0.526503 0.922926 0.647458 H\n0.526113 0.647960 0.899756 H\n0.421929 0.145898 0.403873 H\n0.403873 0.421929 0.145898 H\n0.423410 0.402005 0.025417 H\n0.402005 0.025417 0.423410 H\n0.145898 0.403873 0.421929 H\n0.424151 0.025866 0.147401 H\n0.404021 0.147242 0.026445 H\n0.025417 0.423410 0.402005 H\n0.147401 0.424151 0.025866 H\n0.147242 0.026445 0.404021 H\n0.025866 0.147401 0.424151 H\n0.026445 0.404021 0.147242 H\n0.999919 0.999919 0.999919 S\n0.923325 0.307380 0.714240 S\n0.714240 0.923325 0.307380 S\n0.923298 0.714799 0.056075 S\n0.804278 0.557335 0.425052 S\n0.714799 0.056075 0.923298 S\n0.805123 0.212074 0.556766 S\n0.557335 0.425052 0.804278 S\n0.307380 0.714240 0.923325 S\n0.800568 0.428090 0.213697 S\n0.425052 0.804278 0.557335 S\n0.924313 0.052353 0.307956 S\n0.556766 0.805123 0.212074 S\n0.503831 0.503831 0.503831 S\n0.428090 0.213697 0.800568 S\n0.713604 0.305121 0.055660 S\n0.212074 0.556766 0.805123 S\n0.560440 0.210864 0.421432 S\n0.056075 0.923298 0.714799 S\n0.213697 0.800568 0.428090 S\n0.421432 0.560440 0.210864 S\n0.307956 0.924313 0.052353 S\n0.210864 0.421432 0.560440 S\n0.305121 0.055660 0.713604 S\n0.052353 0.307956 0.924313 S\n0.055660 0.713604 0.305121 S\n0.879194 0.621164 0.879982 O\n0.879982 0.879194 0.621164 O\n0.882173 0.619306 0.621189 O\n0.621164 0.879982 0.879194 O\n0.621189 0.882173 0.619306 O\n0.619306 0.621189 0.882173 O\n0.379521 0.379280 0.119437 O\n0.379280 0.119437 0.379521 O\n0.119437 0.379521 0.379280 O\n0.378844 0.119691 0.120641 O\n0.119691 0.120641 0.378844 O\n0.120641 0.378844 0.119691 O\n","nsites":86,"nelements":6,"elements":["Na","Zn","Sn","H","S","O"],"chemical_system":"H-Na-O-S-Sn-Zn","density":2.8972559489188834,"density_atomic":0.0584169735739005,"volume":1472.174861835414,"volume_molar":10.308888652681878,"formula_full":"Na10 Zn7 Sn7 H24 S26 O12","formula_reduced":"Na10Zn7Sn7H24(S13O6)2","formula_anonymous":"A7B7C10D12E24F26","energy":-396.21246736,"energy_per_atom":-4.607121713488372,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.89046736,"band_gap":1.9307,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007803,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.135000Z","spacegroup":146},{"id":"mp-604071","created_at":"2022-09-04T14:42:52.673017Z","structure_string":"K16 Fe8 P8 H40 C16 O80\n1.0\n10.485413 0.000000 0.000000\n0.000000 11.915508 0.000000\n0.000000 0.000000 15.768272\nK Fe P H C O\n16 8 8 40 16 80\ndirect\n0.800390 0.167535 0.131159 K\n0.172011 0.332687 0.884553 K\n0.300390 0.832465 0.368841 K\n0.827989 0.667313 0.115447 K\n0.672011 0.167313 0.884553 K\n0.327989 0.832687 0.115447 K\n0.327989 0.332687 0.384553 K\n0.800390 0.667535 0.368841 K\n0.699610 0.667535 0.868841 K\n0.300390 0.332465 0.131159 K\n0.827989 0.167313 0.384553 K\n0.172011 0.832687 0.615447 K\n0.672011 0.667313 0.615447 K\n0.699610 0.167535 0.631159 K\n0.199610 0.832465 0.868841 K\n0.199610 0.332465 0.631159 K\n0.395832 0.082818 0.738675 Fe\n0.604168 0.917182 0.261325 Fe\n0.395832 0.582818 0.761325 Fe\n0.104168 0.082818 0.238675 Fe\n0.104168 0.582818 0.261325 Fe\n0.604168 0.417182 0.238675 Fe\n0.895832 0.417182 0.738675 Fe\n0.895832 0.917182 0.761325 Fe\n0.155464 0.094104 0.023198 P\n0.844536 0.905896 0.976802 P\n0.655464 0.405896 0.023198 P\n0.844536 0.405896 0.523198 P\n0.344536 0.594104 0.976802 P\n0.344536 0.094104 0.523198 P\n0.155464 0.594104 0.476802 P\n0.655464 0.905896 0.476802 P\n0.433586 0.646171 0.457967 H\n0.532767 0.598319 0.040299 H\n0.967233 0.098319 0.959701 H\n0.455787 0.277075 0.582427 H\n0.566414 0.853829 0.957967 H\n0.032767 0.401681 0.459701 H\n0.467233 0.401681 0.959701 H\n0.933176 0.018091 0.603803 H\n0.643855 0.903998 0.082041 H\n0.143855 0.096002 0.417959 H\n0.967233 0.598319 0.540299 H\n0.433176 0.481909 0.603803 H\n0.433586 0.146171 0.042033 H\n0.544213 0.222925 0.082427 H\n0.143855 0.596002 0.082041 H\n0.044213 0.777075 0.417573 H\n0.032767 0.901681 0.040299 H\n0.433176 0.981909 0.896197 H\n0.066414 0.146171 0.542033 H\n0.955787 0.722925 0.917573 H\n0.933176 0.518091 0.896197 H\n0.566824 0.518091 0.396197 H\n0.955787 0.222925 0.582427 H\n0.566824 0.018091 0.103803 H\n0.044213 0.277075 0.082427 H\n0.544213 0.722925 0.417573 H\n0.356145 0.596002 0.582041 H\n0.856145 0.403998 0.917959 H\n0.356145 0.096002 0.917959 H\n0.455787 0.777075 0.917573 H\n0.856145 0.903998 0.582041 H\n0.066824 0.981909 0.396197 H\n0.933586 0.853829 0.457967 H\n0.566414 0.353829 0.542033 H\n0.933586 0.353829 0.042033 H\n0.643855 0.403998 0.417959 H\n0.066824 0.481909 0.103803 H\n0.066414 0.646171 0.957967 H\n0.532767 0.098319 0.459701 H\n0.467233 0.901681 0.540299 H\n0.102727 0.086481 0.759482 C\n0.897273 0.413519 0.259482 C\n0.977399 0.155797 0.765263 C\n0.102727 0.586480 0.740518 C\n0.602727 0.413519 0.759482 C\n0.602727 0.913520 0.740518 C\n0.022601 0.344203 0.265263 C\n0.397273 0.086481 0.259482 C\n0.522601 0.155797 0.265263 C\n0.522601 0.655797 0.234737 C\n0.477399 0.844203 0.734737 C\n0.977399 0.655797 0.734737 C\n0.022601 0.844203 0.234737 C\n0.477399 0.344203 0.765263 C\n0.897273 0.913520 0.240518 C\n0.397273 0.586480 0.240518 C\n0.989119 0.261175 0.762945 O\n0.945298 0.365751 0.451361 O\n0.010881 0.738825 0.237055 O\n0.873491 0.100768 0.770301 O\n0.589426 0.942229 0.125901 O\n0.779484 0.342830 0.999849 O\n0.978545 0.644562 0.933657 O\n0.168142 0.965793 0.020382 O\n0.554702 0.865751 0.548639 O\n0.989119 0.761175 0.737055 O\n0.793794 0.359107 0.251435 O\n0.054702 0.634249 0.548639 O\n0.206206 0.640893 0.748565 O\n0.510881 0.761175 0.237055 O\n0.910574 0.442229 0.874099 O\n0.978545 0.144562 0.566343 O\n0.445298 0.134249 0.451361 O\n0.010881 0.238825 0.262945 O\n0.331858 0.465793 0.979618 O\n0.589426 0.442229 0.374099 O\n0.873491 0.600768 0.729699 O\n0.831858 0.034207 0.979618 O\n0.489119 0.738825 0.737055 O\n0.100711 0.138488 0.108858 O\n0.626509 0.100768 0.270301 O\n0.373491 0.899232 0.729699 O\n0.478545 0.355438 0.566343 O\n0.779484 0.842830 0.500151 O\n0.668142 0.534207 0.020382 O\n0.478545 0.855438 0.933657 O\n0.910574 0.942229 0.625901 O\n0.899289 0.361512 0.608858 O\n0.831858 0.534207 0.520382 O\n0.720516 0.342830 0.499849 O\n0.706206 0.359107 0.751435 O\n0.293794 0.640893 0.248565 O\n0.220516 0.157170 0.499849 O\n0.600711 0.861512 0.391142 O\n0.089426 0.057771 0.374099 O\n0.521455 0.144562 0.066343 O\n0.592116 0.519618 0.761185 O\n0.899289 0.861512 0.891142 O\n0.293794 0.140893 0.251435 O\n0.489119 0.238825 0.762945 O\n0.907884 0.019618 0.238815 O\n0.410574 0.557771 0.625901 O\n0.021455 0.355438 0.066343 O\n0.279484 0.657170 0.500151 O\n0.220516 0.657170 0.000151 O\n0.626509 0.600768 0.229699 O\n0.720516 0.842830 0.000151 O\n0.907884 0.519618 0.261185 O\n0.092116 0.480382 0.738815 O\n0.554702 0.365751 0.951361 O\n0.100711 0.638488 0.391142 O\n0.592116 0.019618 0.738815 O\n0.021455 0.855438 0.433657 O\n0.668142 0.034207 0.479618 O\n0.092116 0.980382 0.761185 O\n0.407884 0.980382 0.261185 O\n0.168142 0.465793 0.479618 O\n0.054702 0.134249 0.951361 O\n0.206206 0.140893 0.751435 O\n0.521455 0.644562 0.433657 O\n0.510881 0.261175 0.262945 O\n0.089426 0.557771 0.125901 O\n0.945298 0.865751 0.048639 O\n0.331858 0.965793 0.520382 O\n0.126509 0.399232 0.270301 O\n0.399289 0.138488 0.608858 O\n0.126509 0.899232 0.229699 O\n0.399289 0.638488 0.891142 O\n0.410574 0.057771 0.874099 O\n0.706206 0.859107 0.748565 O\n0.279484 0.157170 0.999849 O\n0.407884 0.480382 0.238815 O\n0.600711 0.361512 0.108858 O\n0.373491 0.399232 0.770301 O\n0.793794 0.859107 0.248565 O\n0.445298 0.634249 0.048639 O\n","nsites":168,"nelements":6,"elements":["K","Fe","P","H","C","O"],"chemical_system":"C-Fe-H-K-O-P","density":2.3875175658889107,"density_atomic":0.08527604992031518,"volume":1970.0724899545053,"volume_molar":7.061936810660545,"formula_full":"K16 Fe8 P8 H40 C16 O80","formula_reduced":"K2FePH5(CO5)2","formula_anonymous":"ABC2D2E5F10","energy":-1097.80945402,"energy_per_atom":-6.534580083452381,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1024.80145402,"band_gap":2.5254,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0041853,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.607000Z","spacegroup":61},{"id":"mp-1198497","created_at":"2022-09-04T14:43:03.371184Z","structure_string":"Na8 H64 C16 S16 N8 O40\n1.0\n4.745990 12.324571 0.000000\n-4.745990 12.324571 0.000000\n0.000000 4.993443 14.807781\nNa H C S N O\n8 64 16 16 8 40\ndirect\n0.656261 0.638800 0.619505 Na\n0.361200 0.343739 0.880495 Na\n0.343739 0.361200 0.380495 Na\n0.638800 0.656261 0.119505 Na\n0.638762 0.361238 0.750000 Na\n0.361238 0.638762 0.250000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.573643 0.548711 0.540203 H\n0.451289 0.426357 0.959797 H\n0.426357 0.451289 0.459797 H\n0.548711 0.573643 0.040203 H\n0.431059 0.647138 0.608482 H\n0.352862 0.568941 0.891518 H\n0.568941 0.352862 0.391518 H\n0.647138 0.431059 0.108482 H\n0.792926 0.778925 0.512611 H\n0.221075 0.207074 0.987389 H\n0.207074 0.221075 0.487389 H\n0.778925 0.792926 0.012611 H\n0.752323 0.773133 0.617509 H\n0.226867 0.247677 0.882491 H\n0.247677 0.226867 0.382491 H\n0.773133 0.752323 0.117509 H\n0.106322 0.000799 0.760675 H\n0.999201 0.893678 0.739325 H\n0.893678 0.999201 0.239325 H\n0.000799 0.106322 0.260675 H\n0.238809 0.009934 0.753631 H\n0.990066 0.761191 0.746369 H\n0.761191 0.990066 0.246369 H\n0.009934 0.238809 0.253631 H\n0.306552 0.827782 0.763241 H\n0.172218 0.693448 0.736759 H\n0.693448 0.172218 0.236759 H\n0.827782 0.306552 0.263241 H\n0.007004 0.089826 0.491786 H\n0.910174 0.992996 0.008214 H\n0.992996 0.910174 0.508214 H\n0.089826 0.007004 0.991786 H\n0.996890 0.233511 0.424525 H\n0.766489 0.003110 0.075475 H\n0.003110 0.766489 0.575475 H\n0.233511 0.996890 0.924525 H\n0.824196 0.285353 0.476633 H\n0.714647 0.175804 0.023367 H\n0.175804 0.714647 0.523367 H\n0.285353 0.824196 0.976633 H\n0.543655 0.848922 0.916409 H\n0.151078 0.456345 0.583591 H\n0.456345 0.151078 0.083591 H\n0.848922 0.543655 0.416409 H\n0.506068 0.960305 0.807384 H\n0.039695 0.493932 0.692616 H\n0.493932 0.039695 0.192616 H\n0.960305 0.506068 0.307384 H\n0.618759 0.928002 0.875825 H\n0.071998 0.381241 0.624175 H\n0.381241 0.071998 0.124175 H\n0.928002 0.618759 0.375825 H\n0.901519 0.385579 0.901796 H\n0.614421 0.098482 0.598204 H\n0.098481 0.614421 0.098204 H\n0.385579 0.901519 0.401796 H\n0.929852 0.326438 0.799794 H\n0.673562 0.070148 0.700206 H\n0.070148 0.673562 0.200206 H\n0.326438 0.929852 0.299794 H\n0.830294 0.310351 0.902128 H\n0.689649 0.169706 0.597872 H\n0.169706 0.689649 0.097872 H\n0.310351 0.830294 0.402128 H\n0.222135 0.948507 0.736741 C\n0.051493 0.777865 0.763259 C\n0.777865 0.051493 0.263259 C\n0.948507 0.222135 0.236741 C\n0.943840 0.209653 0.483131 C\n0.790347 0.056160 0.016869 C\n0.056160 0.790347 0.516869 C\n0.209653 0.943840 0.983131 C\n0.588296 0.880590 0.856564 C\n0.119410 0.411704 0.643436 C\n0.411704 0.119410 0.143436 C\n0.880590 0.588296 0.356564 C\n0.854155 0.375654 0.861995 C\n0.624346 0.145845 0.638005 C\n0.145845 0.624346 0.138005 C\n0.375654 0.854155 0.361995 C\n0.249214 0.959056 0.617400 S\n0.040944 0.750786 0.882600 S\n0.750786 0.040944 0.382600 S\n0.959056 0.249214 0.117400 S\n0.953869 0.243305 0.580915 S\n0.756695 0.046131 0.919085 S\n0.046131 0.756695 0.419085 S\n0.243305 0.953869 0.080915 S\n0.757112 0.715315 0.805461 S\n0.284685 0.242888 0.694539 S\n0.242888 0.284685 0.194539 S\n0.715315 0.757112 0.305461 S\n0.677326 0.560627 0.831869 S\n0.439373 0.322674 0.668131 S\n0.322674 0.439373 0.168131 S\n0.560627 0.677326 0.331869 S\n0.131728 0.137012 0.580192 N\n0.862988 0.868272 0.919808 N\n0.868272 0.862988 0.419808 N\n0.137012 0.131728 0.080192 N\n0.710733 0.654601 0.767465 N\n0.345399 0.289267 0.732535 N\n0.289267 0.345399 0.232535 N\n0.654601 0.710733 0.267465 N\n0.541470 0.557649 0.605295 O\n0.442351 0.458530 0.894705 O\n0.458530 0.442351 0.394705 O\n0.557649 0.541470 0.105295 O\n0.729449 0.774289 0.562557 O\n0.225711 0.270551 0.937443 O\n0.270551 0.225711 0.437443 O\n0.774289 0.729449 0.062557 O\n0.401489 0.896529 0.586241 O\n0.103471 0.598511 0.913759 O\n0.598511 0.103471 0.413759 O\n0.896529 0.401489 0.086241 O\n0.225864 0.877811 0.594875 O\n0.122189 0.774136 0.905125 O\n0.774136 0.122189 0.405125 O\n0.877811 0.225864 0.094875 O\n0.880458 0.399349 0.566829 O\n0.600651 0.119542 0.933171 O\n0.119542 0.600651 0.433171 O\n0.399349 0.880458 0.066829 O\n0.888028 0.205878 0.659520 O\n0.794122 0.111972 0.840480 O\n0.111972 0.794122 0.340480 O\n0.205878 0.888028 0.159520 O\n0.811705 0.762018 0.724475 O\n0.237982 0.188295 0.775525 O\n0.188295 0.237982 0.275525 O\n0.762018 0.811705 0.224475 O\n0.861152 0.606660 0.874228 O\n0.393340 0.138848 0.625772 O\n0.138848 0.393340 0.125772 O\n0.606660 0.861152 0.374228 O\n0.623674 0.543256 0.772959 O\n0.456744 0.376326 0.727041 O\n0.376326 0.456744 0.227041 O\n0.543256 0.623674 0.272959 O\n0.577017 0.626245 0.915093 O\n0.373755 0.422983 0.584907 O\n0.422983 0.373755 0.084907 O\n0.626245 0.577017 0.415093 O\n","nsites":152,"nelements":6,"elements":["Na","H","C","S","N","O"],"chemical_system":"C-H-N-Na-O-S","density":1.6350263847736775,"density_atomic":0.0877455255721494,"volume":1732.2820623487733,"volume_molar":6.863188431241716,"formula_full":"Na8 H64 C16 S16 N8 O40","formula_reduced":"NaH8C2S2NO5","formula_anonymous":"ABC2D2E5F8","energy":-842.6450191,"energy_per_atom":-5.543717230921053,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-812.2770191,"band_gap":5.4515,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001813,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.283000Z","spacegroup":15},{"id":"mp-1101703","created_at":"2022-09-04T14:43:05.393120Z","structure_string":"Na4 Li8 Fe4 P4 C4 O28\n1.0\n6.669728 0.000000 0.000000\n-0.022585 8.627030 0.000000\n-0.015907 -0.352481 10.084579\nNa Li Fe P C O\n4 8 4 4 4 28\ndirect\n0.241945 0.916015 0.377585 Na\n0.997056 0.747204 0.626894 Na\n0.502042 0.743541 0.124724 Na\n0.501912 0.254914 0.375649 Na\n0.255317 0.913155 0.874788 Li\n0.475333 0.724780 0.616546 Li\n0.023074 0.723892 0.108954 Li\n0.517298 0.267282 0.884237 Li\n0.984378 0.267705 0.883703 Li\n0.974166 0.276135 0.390060 Li\n0.743480 0.094087 0.630194 Li\n0.771138 0.095770 0.123194 Li\n0.752579 0.651093 0.886512 Fe\n0.746291 0.643983 0.389859 Fe\n0.243434 0.349812 0.615091 Fe\n0.250275 0.345406 0.107422 Fe\n0.256446 0.591185 0.851606 P\n0.237584 0.581850 0.353021 P\n0.742378 0.406842 0.649773 P\n0.761583 0.407870 0.140595 P\n0.749126 0.960459 0.866947 C\n0.760801 0.954558 0.364436 C\n0.257070 0.053433 0.645914 C\n0.239965 0.043076 0.127527 C\n0.280956 0.906395 0.663452 O\n0.216719 0.897102 0.146467 O\n0.750131 0.919351 0.989343 O\n0.752771 0.920417 0.488736 O\n0.750913 0.853722 0.772095 O\n0.745712 0.843876 0.273547 O\n0.071450 0.690699 0.895043 O\n0.440190 0.688998 0.898178 O\n0.057592 0.682650 0.400530 O\n0.428773 0.672655 0.400816 O\n0.262080 0.572744 0.696397 O\n0.724366 0.571039 0.591987 O\n0.234870 0.567334 0.197750 O\n0.774180 0.572626 0.084342 O\n0.253716 0.426225 0.908444 O\n0.757098 0.425278 0.804596 O\n0.228439 0.417174 0.409234 O\n0.771539 0.424170 0.295455 O\n0.560111 0.302210 0.612488 O\n0.925982 0.314737 0.594298 O\n0.568862 0.317031 0.096940 O\n0.935940 0.302144 0.088760 O\n0.237794 0.148997 0.747518 O\n0.251347 0.141612 0.228805 O\n0.250483 0.109662 0.527924 O\n0.253673 0.095334 0.008600 O\n0.747183 0.105393 0.835535 O\n0.782459 0.096379 0.327491 O\n","nsites":52,"nelements":6,"elements":["Na","Li","Fe","P","C","O"],"chemical_system":"C-Fe-Li-Na-O-P","density":2.835323949549845,"density_atomic":0.0896140571191736,"volume":580.2661063637327,"volume_molar":6.720084943806788,"formula_full":"Na4 Li8 Fe4 P4 C4 O28","formula_reduced":"NaLi2FePCO7","formula_anonymous":"ABCDE2F7","energy":-371.66601238,"energy_per_atom":-7.147423314999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-343.40601238,"band_gap":2.0243999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000736,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.892000Z","spacegroup":1},{"id":"mp-721013","created_at":"2022-09-04T14:41:21.822673Z","structure_string":"Zn4 Ga4 P8 H16 N4 O32\n1.0\n9.162598 0.000000 0.000000\n-1.143031 -9.408442 0.000000\n-1.277048 0.004672 -9.399247\nZn Ga P H N O\n4 4 8 16 4 32\ndirect\n0.072005 0.960416 0.204725 Zn\n0.435908 0.800012 0.042782 Zn\n0.562809 0.203510 0.958679 Zn\n0.881059 0.572180 0.684755 Zn\n0.114013 0.425676 0.313650 Ga\n0.384811 0.686272 0.572525 Ga\n0.615989 0.313980 0.433495 Ga\n0.933540 0.041834 0.795879 Ga\n0.080218 0.785726 0.916226 P\n0.045224 0.712443 0.441418 P\n0.453414 0.556181 0.289240 P\n0.585246 0.913202 0.788277 P\n0.419028 0.089012 0.216124 P\n0.540538 0.444938 0.711901 P\n0.955163 0.285671 0.561577 P\n0.914891 0.212057 0.086834 P\n0.130508 0.364243 0.892043 H\n0.205433 0.531107 0.937115 H\n0.230037 0.972542 0.608968 H\n0.195694 0.138759 0.574849 H\n0.307518 0.424122 0.862611 H\n0.270644 0.389057 0.026922 H\n0.293136 0.061572 0.467785 H\n0.371096 0.103830 0.639148 H\n0.630212 0.895939 0.358029 H\n0.704957 0.937649 0.527503 H\n0.729914 0.610902 0.970686 H\n0.693745 0.577602 0.136202 H\n0.806048 0.859050 0.424412 H\n0.770706 0.026031 0.387920 H\n0.793563 0.469826 0.060704 H\n0.869794 0.639571 0.103640 H\n0.227695 0.426843 0.929397 N\n0.273871 0.069780 0.573491 N\n0.727538 0.928785 0.424306 N\n0.772716 0.574791 0.068952 N\n0.071373 0.914504 0.807067 O\n0.037071 0.861343 0.380604 O\n0.020028 0.826646 0.052131 O\n0.050304 0.602926 0.319260 O\n0.025130 0.345578 0.143252 O\n0.090651 0.317373 0.476064 O\n0.186564 0.710276 0.554030 O\n0.241249 0.750861 0.938618 O\n0.265367 0.061335 0.267445 O\n0.313705 0.445319 0.292281 O\n0.394743 0.517272 0.667986 O\n0.490989 0.851034 0.647446 O\n0.453739 0.677997 0.397566 O\n0.482183 0.951387 0.181667 O\n0.586672 0.806560 0.910882 O\n0.521663 0.380079 0.857525 O\n0.468497 0.617711 0.142264 O\n0.416808 0.195234 0.091551 O\n0.521659 0.050692 0.818784 O\n0.542809 0.320913 0.604579 O\n0.524269 0.149153 0.352318 O\n0.593346 0.476941 0.329880 O\n0.673511 0.557958 0.709952 O\n0.744955 0.948940 0.743476 O\n0.762486 0.265101 0.054097 O\n0.813942 0.284619 0.450508 O\n0.904187 0.674260 0.511274 O\n0.983276 0.650393 0.859344 O\n0.960723 0.388552 0.684021 O\n0.972947 0.170981 0.944856 O\n0.969133 0.133273 0.623262 O\n0.917334 0.089679 0.193242 O\n","nsites":68,"nelements":6,"elements":["Zn","Ga","P","H","N","O"],"chemical_system":"Ga-H-N-O-P-Zn","density":2.81265903292757,"density_atomic":0.08392271117290831,"volume":810.2693424655657,"volume_molar":7.175817696823944,"formula_full":"Zn4 Ga4 P8 H16 N4 O32","formula_reduced":"ZnGaP2H4NO8","formula_anonymous":"ABCD2E4F8","energy":-439.48692071,"energy_per_atom":-6.463042951617647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-416.05892071,"band_gap":3.5802,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036871,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.108000Z","spacegroup":1},{"id":"mp-1233858","created_at":"2022-09-04T14:41:23.533967Z","structure_string":"K1 Mg1 Ni2 H3 Se2 O10\n1.0\n4.485196 3.317553 -2.297292\n4.485398 -3.318305 -2.298016\n0.699872 -0.000908 -8.360926\nK Mg Ni H Se O\n1 1 2 3 2 10\ndirect\n0.504622 0.504777 0.563984 K\n0.452468 0.452478 0.242153 Mg\n0.985293 0.499268 0.021231 Ni\n0.499166 0.985349 0.021291 Ni\n0.755775 0.755666 0.703708 H\n0.208549 0.208609 0.244303 H\n0.588702 0.588449 0.875457 H\n0.893284 0.893347 0.270972 Se\n0.098447 0.098457 0.749581 Se\n0.777223 0.777236 0.507270 O\n0.230199 0.230255 0.519019 O\n0.221418 0.808178 0.239995 O\n0.808211 0.221444 0.239975 O\n0.778323 0.190103 0.810295 O\n0.190094 0.778363 0.810299 O\n0.696135 0.695958 0.847635 O\n0.310063 0.310070 0.125070 O\n0.684950 0.684949 0.170702 O\n0.200553 0.200524 0.859726 O\n","nsites":19,"nelements":6,"elements":["K","Mg","Ni","H","Se","O"],"chemical_system":"H-K-Mg-Ni-O-Se","density":3.4979084663857414,"density_atomic":0.07977093361508654,"volume":238.181993602826,"volume_molar":7.549292063019147,"formula_full":"K1 Mg1 Ni2 H3 Se2 O10","formula_reduced":"KMgNi2H3(SeO5)2","formula_anonymous":"ABC2D2E3F10","energy":-107.42485241,"energy_per_atom":-5.653939600526316,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.47285241,"band_gap":1.1218000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999625,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.950000Z","spacegroup":8},{"id":"mp-1233851","created_at":"2022-09-04T14:41:22.830687Z","structure_string":"Mg1 Cd4 Cu4 As4 H4 O20\n1.0\n0.000000 0.000000 6.129983\n7.842672 0.292703 0.000000\n0.374097 9.518120 0.000000\nMg Cd Cu As H O\n1 4 4 4 4 20\ndirect\n0.750000 0.744015 0.418773 Mg\n0.250000 0.595577 0.266295 Cd\n0.250000 0.150401 0.188103 Cd\n0.750000 0.371271 0.682363 Cd\n0.750000 0.962165 0.840941 Cd\n0.493796 0.518811 0.960829 Cu\n0.016337 0.009537 0.530271 Cu\n0.006204 0.518811 0.960829 Cu\n0.483663 0.009537 0.530271 Cu\n0.250000 0.611009 0.626053 As\n0.250000 0.142116 0.861252 As\n0.750000 0.338856 0.336664 As\n0.750000 0.857314 0.143246 As\n0.250000 0.771246 0.009177 H\n0.250000 0.260400 0.449022 H\n0.750000 0.279664 0.987553 H\n0.750000 0.749415 0.658823 H\n0.518292 0.360492 0.234306 O\n0.964436 0.812817 0.262222 O\n0.015580 0.575827 0.725001 O\n0.478498 0.132128 0.751886 O\n0.484420 0.575827 0.725001 O\n0.021502 0.132128 0.751886 O\n0.981708 0.360492 0.234306 O\n0.535564 0.812817 0.262222 O\n0.250000 0.484781 0.485416 O\n0.250000 0.981348 0.995804 O\n0.750000 0.498295 0.454686 O\n0.750000 0.062755 0.070855 O\n0.250000 0.824481 0.558319 O\n0.250000 0.319853 0.959071 O\n0.750000 0.156366 0.458758 O\n0.750000 0.730869 0.998912 O\n0.250000 0.644257 0.031550 O\n0.250000 0.138360 0.426785 O\n0.750000 0.386852 0.926055 O\n0.750000 0.860182 0.600779 O\n","nsites":37,"nelements":6,"elements":["Mg","Cd","Cu","As","H","O"],"chemical_system":"As-Cd-Cu-H-Mg-O","density":4.912891242404912,"density_atomic":0.08097757255313166,"volume":456.916635476116,"volume_molar":7.436800795737244,"formula_full":"Mg1 Cd4 Cu4 As4 H4 O20","formula_reduced":"MgCd4Cu4As4(HO5)4","formula_anonymous":"AB4C4D4E4F20","energy":-206.78518545,"energy_per_atom":-5.588788795945946,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.04518545,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0018203,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.544000Z","spacegroup":6},{"id":"mp-1235879","created_at":"2022-09-04T14:41:16.885150Z","structure_string":"Sr2 Li1 Pr2 Fe2 Ru2 O12\n1.0\n0.109661 -5.906955 -0.078309\n-5.518335 0.114707 0.057899\n0.080511 -0.108215 -7.937308\nSr Li Pr Fe Ru O\n2 1 2 2 2 12\ndirect\n0.551855 0.510939 0.754901 Sr\n0.903629 0.033841 0.220557 Sr\n0.215384 0.867533 0.361643 Li\n0.071344 0.984963 0.747466 Pr\n0.436222 0.451650 0.250213 Pr\n0.996060 0.510254 0.996459 Fe\n0.548669 0.985147 0.515132 Fe\n0.000848 0.489654 0.500694 Ru\n0.493991 0.997208 0.996929 Ru\n0.980852 0.408004 0.746548 O\n0.482406 0.068218 0.748945 O\n0.039345 0.591988 0.253797 O\n0.501233 0.899742 0.254531 O\n0.195055 0.192953 0.449396 O\n0.701568 0.304311 0.040722 O\n0.790123 0.802192 0.952165 O\n0.300708 0.699282 0.543744 O\n0.814572 0.794793 0.544543 O\n0.275342 0.717014 0.953743 O\n0.213193 0.214295 0.033369 O\n0.701885 0.297447 0.451172 O\n","nsites":21,"nelements":6,"elements":["Sr","Li","Pr","Fe","Ru","O"],"chemical_system":"Fe-Li-O-Pr-Ru-Sr","density":6.228520690211466,"density_atomic":0.08122026005218402,"volume":258.55617781213084,"volume_molar":7.414579510248766,"formula_full":"Sr2 Li1 Pr2 Fe2 Ru2 O12","formula_reduced":"Sr2LiPr2Fe2(RuO6)2","formula_anonymous":"AB2C2D2E2F12","energy":-159.43446067,"energy_per_atom":-7.5921171747619045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.67846067,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0113972,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.056000Z","spacegroup":1}]}