{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=49","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=47","results":[{"id":"mp-1193243","created_at":"2022-09-04T14:40:17.793098Z","structure_string":"Co2 B2 P4 H2 Pb2 O18\n1.0\n5.184022 -0.014128 0.972601\n0.317943 8.070910 0.046966\n-0.026455 -0.027819 8.448366\nCo B P H Pb O\n2 2 4 2 2 18\ndirect\n0.737433 0.805362 0.192281 Co\n0.262567 0.194638 0.807719 Co\n0.869296 0.738320 0.544365 B\n0.130704 0.261680 0.455635 B\n0.804513 0.427950 0.707365 P\n0.195487 0.572050 0.292635 P\n0.768577 0.935037 0.814710 P\n0.231423 0.064963 0.185290 P\n0.513735 0.758877 0.477667 H\n0.486265 0.241123 0.522333 H\n0.267076 0.698115 0.921658 Pb\n0.732924 0.301885 0.078342 Pb\n0.979157 0.572822 0.192239 O\n0.020843 0.427178 0.807761 O\n0.928120 0.871758 0.648174 O\n0.071880 0.128242 0.351826 O\n0.900549 0.090131 0.858063 O\n0.099451 0.909869 0.141937 O\n0.876903 0.317023 0.551305 O\n0.123097 0.682977 0.448695 O\n0.786080 0.791752 0.937729 O\n0.213920 0.208248 0.062271 O\n0.736754 0.605366 0.649013 O\n0.263246 0.394634 0.350987 O\n0.691260 0.790221 0.437455 O\n0.308740 0.209779 0.562545 O\n0.554662 0.369764 0.811458 O\n0.445338 0.630236 0.188542 O\n0.481027 0.969423 0.806282 O\n0.518973 0.030577 0.193718 O\n","nsites":30,"nelements":6,"elements":["Co","B","P","H","Pb","O"],"chemical_system":"B-Co-H-O-P-Pb","density":4.543264912740847,"density_atomic":0.08481247808299455,"volume":353.72153577027944,"volume_molar":7.100536260839993,"formula_full":"Co2 B2 P4 H2 Pb2 O18","formula_reduced":"CoBP2HPbO9","formula_anonymous":"ABCDE2F9","energy":-222.16288312,"energy_per_atom":-7.405429437333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.52088312,"band_gap":3.2483000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999833,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.599000Z","spacegroup":2},{"id":"mp-1248373","created_at":"2022-09-04T14:43:09.952547Z","structure_string":"Ba2 Yb2 Al4 Si3 N10 O4\n1.0\n7.488521 -0.853575 1.017030\n-4.501551 6.616837 -1.188456\n1.283054 -0.910418 8.190602\nBa Yb Al Si N O\n2 2 4 3 10 4\ndirect\n0.408870 0.654367 0.092217 Ba\n0.662013 0.483147 0.620873 Ba\n0.292550 0.706201 0.797964 Yb\n0.740108 0.238741 0.220067 Yb\n0.661947 0.839683 0.458544 Al\n0.339776 0.101116 0.921551 Al\n0.746985 0.506006 0.049736 Al\n0.799889 0.200835 0.832661 Al\n0.284105 0.855927 0.476865 Si\n0.059693 0.941985 0.201541 Si\n0.113473 0.418457 0.483325 Si\n0.208842 0.985223 0.382508 N\n0.972341 0.465080 0.000366 N\n0.513456 0.055611 0.988394 N\n0.195696 0.144423 0.474294 N\n0.090203 0.166904 0.384430 N\n0.518735 0.396551 0.925394 N\n0.771564 0.713842 0.248843 N\n0.568062 0.971368 0.394032 N\n0.081283 0.563061 0.397683 N\n0.758304 0.947119 0.684541 N\n0.242676 0.915858 0.694108 O\n0.387030 0.580643 0.524333 O\n0.640738 0.781001 0.794854 O\n0.941661 0.366851 0.662777 O\n","nsites":25,"nelements":6,"elements":["Ba","Yb","Al","Si","N","O"],"chemical_system":"Al-Ba-N-O-Si-Yb","density":4.650783127421909,"density_atomic":0.06885001696459639,"volume":363.10811677585116,"volume_molar":8.746752761290772,"formula_full":"Ba2 Yb2 Al4 Si3 N10 O4","formula_reduced":"Ba2Yb2Al4Si3(N5O2)2","formula_anonymous":"A2B2C3D4E4F10","energy":-175.06670642,"energy_per_atom":-7.0026682568,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.70870642,"band_gap":0.5621999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005351,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.912000Z","spacegroup":1},{"id":"mp-645405","created_at":"2022-09-04T14:39:23.365845Z","structure_string":"Rb12 Li2 Pr22 Se24 Cl32 O72\n1.0\n-8.058455 8.058455 12.599747\n8.058455 -8.058455 12.599747\n8.058455 8.058455 -12.599747\nRb Li Pr Se Cl O\n12 2 22 24 32 72\ndirect\n0.379923 0.629391 0.009314 Rb\n0.876312 0.376312 0.252625 Rb\n0.129391 0.879923 0.009314 Rb\n0.629391 0.620077 0.249468 Rb\n0.376312 0.123688 0.500000 Rb\n0.620077 0.370609 0.990686 Rb\n0.623688 0.876312 0.500000 Rb\n0.370609 0.379923 0.750532 Rb\n0.123688 0.623688 0.747375 Rb\n0.870609 0.120077 0.990686 Rb\n0.120077 0.129391 0.249468 Rb\n0.879923 0.870609 0.750532 Rb\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.750000 0.493056 0.743056 Pr\n0.506944 0.250000 0.256944 Pr\n0.250000 0.993056 0.743056 Pr\n0.497512 0.997512 0.742508 Pr\n0.006944 0.750000 0.256944 Pr\n0.250000 0.506944 0.256944 Pr\n0.997512 0.255005 0.500000 Pr\n0.993056 0.250000 0.743056 Pr\n0.500000 0.500000 0.500000 Pr\n0.244995 0.502488 0.500000 Pr\n0.000000 0.500000 0.000000 Pr\n0.744995 0.244995 0.742508 Pr\n0.755005 0.497512 0.500000 Pr\n0.750000 0.006944 0.256944 Pr\n0.750000 0.750000 0.000000 Pr\n0.002488 0.744995 0.500000 Pr\n0.493056 0.750000 0.743056 Pr\n0.255005 0.755005 0.257492 Pr\n0.502488 0.002488 0.257492 Pr\n0.500000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.250000 0.250000 0.000000 Pr\n0.436130 0.720940 0.500000 Se\n0.038486 0.010328 0.728838 Se\n0.220940 0.936130 0.500000 Se\n0.538486 0.809648 0.028158 Se\n0.309648 0.038486 0.028158 Se\n0.779060 0.063870 0.500000 Se\n0.218510 0.489672 0.028158 Se\n0.989672 0.718510 0.028158 Se\n0.010328 0.281490 0.971842 Se\n0.063870 0.563870 0.284810 Se\n0.718510 0.690352 0.728838 Se\n0.809648 0.781490 0.271162 Se\n0.720940 0.220940 0.284810 Se\n0.936130 0.436130 0.715190 Se\n0.461514 0.190352 0.971842 Se\n0.690352 0.961514 0.971842 Se\n0.563870 0.279060 0.500000 Se\n0.279060 0.779060 0.715190 Se\n0.510328 0.538486 0.728838 Se\n0.190352 0.218510 0.728838 Se\n0.489672 0.461514 0.271162 Se\n0.961514 0.989672 0.271162 Se\n0.281490 0.309648 0.271162 Se\n0.781490 0.510328 0.971842 Se\n0.582105 0.310085 0.741942 Cl\n0.184501 0.684501 0.021781 Cl\n0.077160 0.077160 0.000000 Cl\n0.159837 0.417895 0.727979 Cl\n0.577160 0.577160 0.000000 Cl\n0.931858 0.189915 0.272021 Cl\n0.075843 0.575843 0.500000 Cl\n0.422840 0.422840 0.000000 Cl\n0.684501 0.662720 0.500000 Cl\n0.924157 0.424157 0.500000 Cl\n0.575843 0.075843 0.500000 Cl\n0.068142 0.810085 0.727979 Cl\n0.922840 0.922840 0.000000 Cl\n0.662720 0.162720 0.978219 Cl\n0.917895 0.659837 0.727979 Cl\n0.082105 0.340163 0.272021 Cl\n0.424157 0.924157 0.500000 Cl\n0.810085 0.082105 0.741942 Cl\n0.162720 0.184501 0.500000 Cl\n0.189915 0.917895 0.258058 Cl\n0.659837 0.931858 0.741942 Cl\n0.815499 0.315499 0.978219 Cl\n0.837280 0.815499 0.500000 Cl\n0.337280 0.837280 0.021781 Cl\n0.417895 0.689915 0.258058 Cl\n0.840163 0.582105 0.272021 Cl\n0.689915 0.431858 0.272021 Cl\n0.340163 0.068142 0.258058 Cl\n0.315499 0.337280 0.500000 Cl\n0.431858 0.159837 0.741942 Cl\n0.310085 0.568142 0.727979 Cl\n0.568142 0.840163 0.258058 Cl\n0.405061 0.318510 0.328395 O\n0.182601 0.564053 0.376272 O\n0.576666 0.490116 0.671605 O\n0.923334 0.594939 0.913449 O\n0.806066 0.428507 0.869828 O\n0.817399 0.435947 0.623728 O\n0.193671 0.817399 0.381453 O\n0.737221 0.574633 0.913522 O\n0.594393 0.374051 0.500000 O\n0.806329 0.182601 0.618547 O\n0.762779 0.676301 0.837412 O\n0.558679 0.936238 0.130172 O\n0.161111 0.074633 0.837412 O\n0.693671 0.312218 0.376272 O\n0.306066 0.436238 0.377559 O\n0.925367 0.762779 0.086478 O\n0.076666 0.405061 0.086551 O\n0.509884 0.181490 0.086551 O\n0.823699 0.737221 0.162588 O\n0.681490 0.009884 0.086551 O\n0.009884 0.923334 0.328395 O\n0.374051 0.874051 0.779658 O\n0.490116 0.818510 0.913449 O\n0.423334 0.509884 0.328395 O\n0.661112 0.823699 0.086478 O\n0.941321 0.071493 0.377559 O\n0.564053 0.187782 0.381453 O\n0.094393 0.594393 0.220342 O\n0.318510 0.990116 0.913449 O\n0.436238 0.058679 0.130172 O\n0.094939 0.423334 0.913449 O\n0.574633 0.661112 0.837412 O\n0.338888 0.176301 0.913522 O\n0.563762 0.941321 0.869828 O\n0.935947 0.317399 0.623728 O\n0.838888 0.925367 0.162588 O\n0.193934 0.571493 0.130172 O\n0.405607 0.625949 0.500000 O\n0.074633 0.237221 0.913522 O\n0.428507 0.558679 0.622441 O\n0.571493 0.441321 0.377559 O\n0.064053 0.682601 0.376272 O\n0.625949 0.125949 0.220342 O\n0.818510 0.905061 0.328395 O\n0.441321 0.063762 0.869828 O\n0.682601 0.306329 0.618547 O\n0.990116 0.076666 0.671605 O\n0.063762 0.193934 0.622441 O\n0.693934 0.563762 0.622441 O\n0.874051 0.094393 0.500000 O\n0.181490 0.094939 0.671605 O\n0.312218 0.935946 0.618547 O\n0.187782 0.806329 0.623728 O\n0.262779 0.425367 0.086478 O\n0.237221 0.323699 0.162588 O\n0.323699 0.161112 0.086478 O\n0.676301 0.838888 0.913522 O\n0.306329 0.687782 0.623728 O\n0.317399 0.693671 0.381453 O\n0.812218 0.193671 0.376272 O\n0.928507 0.306066 0.869828 O\n0.687782 0.064053 0.381453 O\n0.125949 0.905607 0.500000 O\n0.905607 0.405607 0.779658 O\n0.936238 0.806066 0.377559 O\n0.058679 0.928507 0.622441 O\n0.176301 0.262779 0.837412 O\n0.905061 0.576666 0.086551 O\n0.435947 0.812218 0.618547 O\n0.071493 0.693934 0.130172 O\n0.425367 0.338888 0.162588 O\n0.594939 0.681490 0.671605 O\n","nsites":164,"nelements":6,"elements":["Rb","Li","Pr","Se","Cl","O"],"chemical_system":"Cl-Li-O-Pr-Rb-Se","density":4.221793368630846,"density_atomic":0.050109314536245064,"volume":3272.84461018471,"volume_molar":12.018006663499788,"formula_full":"Rb12 Li2 Pr22 Se24 Cl32 O72","formula_reduced":"Rb6LiPr11Se12(Cl4O9)4","formula_anonymous":"AB6C11D12E16F36","energy":-1009.96789267,"energy_per_atom":-6.158340808963414,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-940.85589267,"band_gap":3.2871,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0094786,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.463000Z","spacegroup":140},{"id":"mp-720800","created_at":"2022-09-04T14:40:18.369034Z","structure_string":"Mo24 P2 H48 C12 N6 O80\n1.0\n9.794909 -8.387792 0.000000\n9.794909 8.387792 0.000000\n2.612090 0.000000 12.628234\nMo P H C N O\n24 2 48 12 6 80\ndirect\n0.698168 0.921458 0.921458 Mo\n0.921458 0.698168 0.921458 Mo\n0.921458 0.921458 0.698168 Mo\n0.301832 0.078542 0.078542 Mo\n0.078542 0.301832 0.078542 Mo\n0.078542 0.078542 0.301832 Mo\n0.518783 0.950126 0.742508 Mo\n0.742508 0.518783 0.950126 Mo\n0.950126 0.742508 0.518783 Mo\n0.742508 0.950126 0.518783 Mo\n0.518783 0.742508 0.950126 Mo\n0.950126 0.518783 0.742508 Mo\n0.481217 0.049874 0.257492 Mo\n0.257492 0.481217 0.049874 Mo\n0.049874 0.257492 0.481217 Mo\n0.257492 0.049874 0.481217 Mo\n0.481217 0.257492 0.049874 Mo\n0.049874 0.481217 0.257492 Mo\n0.547945 0.754712 0.547945 Mo\n0.547945 0.547945 0.754712 Mo\n0.754712 0.547945 0.547945 Mo\n0.452055 0.245288 0.452055 Mo\n0.452055 0.452055 0.245288 Mo\n0.245288 0.452055 0.452055 Mo\n0.734565 0.734565 0.734565 P\n0.265435 0.265435 0.265435 P\n0.290887 0.192108 0.668674 H\n0.668674 0.290887 0.192108 H\n0.192108 0.668674 0.290887 H\n0.668674 0.192108 0.290887 H\n0.290887 0.668674 0.192108 H\n0.192108 0.290887 0.668674 H\n0.709113 0.807892 0.331326 H\n0.331326 0.709113 0.807892 H\n0.807892 0.331326 0.709113 H\n0.331326 0.807892 0.709113 H\n0.709113 0.331326 0.807892 H\n0.807892 0.709113 0.331326 H\n0.127511 0.127511 0.740431 H\n0.740431 0.127511 0.127511 H\n0.127511 0.740431 0.127511 H\n0.872489 0.872489 0.259569 H\n0.259569 0.872489 0.872489 H\n0.872489 0.259569 0.872489 H\n0.216260 0.108987 0.838836 H\n0.838836 0.216260 0.108987 H\n0.108987 0.838836 0.216260 H\n0.838836 0.108987 0.216260 H\n0.216260 0.838836 0.108987 H\n0.108987 0.216260 0.838836 H\n0.783740 0.891013 0.161164 H\n0.161164 0.783740 0.891013 H\n0.891013 0.161164 0.783740 H\n0.161164 0.891013 0.783740 H\n0.783740 0.161164 0.891013 H\n0.891013 0.783740 0.161164 H\n0.346007 0.346007 0.714847 H\n0.714847 0.346007 0.346007 H\n0.346007 0.714847 0.346007 H\n0.653993 0.653993 0.285153 H\n0.285153 0.653993 0.653993 H\n0.653993 0.285153 0.653993 H\n0.240210 0.347389 0.823476 H\n0.823476 0.240210 0.347389 H\n0.347389 0.823476 0.240210 H\n0.823476 0.347389 0.240210 H\n0.240210 0.823476 0.347389 H\n0.347389 0.240210 0.823476 H\n0.759790 0.652611 0.176524 H\n0.176524 0.759790 0.652611 H\n0.652611 0.176524 0.759790 H\n0.176524 0.652611 0.759790 H\n0.759790 0.176524 0.652611 H\n0.652611 0.759790 0.176524 H\n0.167223 0.167223 0.789393 C\n0.789393 0.167223 0.167223 C\n0.167223 0.789393 0.167223 C\n0.832777 0.832777 0.210607 C\n0.210607 0.832777 0.832777 C\n0.832777 0.210607 0.832777 C\n0.297259 0.297259 0.774079 C\n0.774079 0.297259 0.297259 C\n0.297259 0.774079 0.297259 C\n0.702741 0.702741 0.225921 C\n0.225921 0.702741 0.702741 C\n0.702741 0.225921 0.702741 C\n0.237544 0.237544 0.717641 N\n0.717641 0.237544 0.237544 N\n0.237544 0.717641 0.237544 N\n0.762456 0.762456 0.282359 N\n0.282359 0.762456 0.762456 N\n0.762456 0.282359 0.762456 N\n0.712955 0.006522 0.006522 O\n0.006522 0.712955 0.006522 O\n0.006522 0.006522 0.712955 O\n0.287045 0.993478 0.993478 O\n0.993478 0.287045 0.993478 O\n0.993478 0.993478 0.287045 O\n0.802169 0.802169 0.958196 O\n0.958196 0.802169 0.802169 O\n0.802169 0.958196 0.802169 O\n0.197831 0.197831 0.041804 O\n0.041804 0.197831 0.197831 O\n0.197831 0.041804 0.197831 O\n0.588376 0.002398 0.842842 O\n0.842842 0.588376 0.002398 O\n0.002398 0.842842 0.588376 O\n0.842842 0.002398 0.588376 O\n0.588376 0.842842 0.002398 O\n0.002398 0.588376 0.842842 O\n0.411624 0.997602 0.157158 O\n0.157158 0.411624 0.997602 O\n0.997602 0.157158 0.411624 O\n0.157158 0.997602 0.411624 O\n0.411624 0.157158 0.997602 O\n0.997602 0.411624 0.157158 O\n0.632119 0.984334 0.632119 O\n0.632119 0.632119 0.984334 O\n0.984334 0.632119 0.632119 O\n0.367881 0.015666 0.367881 O\n0.367881 0.367881 0.015666 O\n0.015666 0.367881 0.367881 O\n0.451338 0.862329 0.862329 O\n0.862329 0.451338 0.862329 O\n0.862329 0.862329 0.451338 O\n0.548662 0.137671 0.137671 O\n0.137671 0.548662 0.137671 O\n0.137671 0.137671 0.548662 O\n0.418286 0.051514 0.720817 O\n0.720817 0.418286 0.051514 O\n0.051514 0.720817 0.418286 O\n0.720817 0.051514 0.418286 O\n0.418286 0.720817 0.051514 O\n0.051514 0.418286 0.720817 O\n0.581714 0.948486 0.279183 O\n0.279183 0.581714 0.948486 O\n0.948486 0.279183 0.581714 O\n0.279183 0.948486 0.581714 O\n0.581714 0.279183 0.948486 O\n0.948486 0.581714 0.279183 O\n0.495380 0.849316 0.653108 O\n0.653108 0.495380 0.849316 O\n0.849316 0.653108 0.495380 O\n0.653108 0.849316 0.495380 O\n0.495380 0.653108 0.849316 O\n0.849316 0.495380 0.653108 O\n0.504620 0.150684 0.346892 O\n0.346892 0.504620 0.150684 O\n0.150684 0.346892 0.504620 O\n0.346892 0.150684 0.504620 O\n0.504620 0.346892 0.150684 O\n0.150684 0.504620 0.346892 O\n0.643059 0.643059 0.483024 O\n0.483024 0.643059 0.643059 O\n0.643059 0.483024 0.643059 O\n0.356941 0.356941 0.516976 O\n0.516976 0.356941 0.356941 O\n0.356941 0.516976 0.356941 O\n0.459029 0.789679 0.459029 O\n0.459029 0.459029 0.789679 O\n0.789679 0.459029 0.459029 O\n0.540971 0.210321 0.540971 O\n0.540971 0.540971 0.210321 O\n0.210321 0.540971 0.540971 O\n0.654184 0.804982 0.804982 O\n0.804982 0.654184 0.804982 O\n0.804982 0.804982 0.654184 O\n0.345816 0.195018 0.195018 O\n0.195018 0.345816 0.195018 O\n0.195018 0.195018 0.345816 O\n0.673968 0.673968 0.673968 O\n0.326032 0.326032 0.326032 O\n","nsites":172,"nelements":6,"elements":["Mo","P","H","C","N","O"],"chemical_system":"C-H-Mo-N-O-P","density":3.137807447158399,"density_atomic":0.08289107513637427,"volume":2075.012294351614,"volume_molar":7.26512564843952,"formula_full":"Mo24 P2 H48 C12 N6 O80","formula_reduced":"Mo12PH24C6N3O40","formula_anonymous":"AB3C6D12E24F40","energy":-1225.3877530999998,"energy_per_atom":-7.124347401744185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1091.4137531,"band_gap":2.341,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0045644,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.343000Z","spacegroup":166},{"id":"mp-1234616","created_at":"2022-09-04T14:43:10.735401Z","structure_string":"Mg1 Al2 Ga2 Cu4 As4 O20\n1.0\n-0.035471 0.009758 5.897376\n7.582783 -0.016353 -1.369636\n-0.019164 10.400989 0.015551\nMg Al Ga Cu As O\n1 2 2 4 4 20\ndirect\n0.643703 0.330633 0.066317 Mg\n0.436804 0.128272 0.320717 Al\n0.066300 0.857308 0.818958 Al\n0.569202 0.873435 0.682994 Ga\n0.943568 0.122189 0.184110 Ga\n0.874369 0.517056 0.368518 Cu\n0.592066 0.548627 0.845390 Cu\n0.112346 0.538686 0.644303 Cu\n0.327971 0.481749 0.173769 Cu\n0.591943 0.281539 0.606807 As\n0.921568 0.721393 0.100656 As\n0.431536 0.730075 0.400290 As\n0.100564 0.270574 0.887025 As\n0.644387 0.117575 0.709499 O\n0.850990 0.881373 0.200017 O\n0.374069 0.895047 0.300718 O\n0.135046 0.091068 0.798667 O\n0.846645 0.392320 0.538683 O\n0.675296 0.596099 0.032648 O\n0.172243 0.627960 0.466428 O\n0.356227 0.355610 0.966491 O\n0.694875 0.219814 0.237357 O\n0.775567 0.776645 0.780665 O\n0.271681 0.771645 0.727902 O\n0.233430 0.217006 0.229775 O\n0.453117 0.426594 0.688702 O\n0.022727 0.563867 0.190354 O\n0.550768 0.574666 0.314499 O\n0.990738 0.432263 0.812142 O\n0.417798 0.183135 0.484659 O\n0.113046 0.818655 0.986801 O\n0.633238 0.822127 0.511982 O\n0.894922 0.201067 0.009661 O\n","nsites":33,"nelements":6,"elements":["Mg","Al","Ga","Cu","As","O"],"chemical_system":"Al-As-Cu-Ga-Mg-O","density":3.9013437888495677,"density_atomic":0.07102749329972377,"volume":464.6088221182985,"volume_molar":8.47860522767938,"formula_full":"Mg1 Al2 Ga2 Cu4 As4 O20","formula_reduced":"MgAl2Ga2Cu4(AsO5)4","formula_anonymous":"AB2C2D4E4F20","energy":-211.66003874,"energy_per_atom":-6.413940567878788,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.92003874,"band_gap":0.0176999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9999996,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.767000Z","spacegroup":1},{"id":"mp-1173558","created_at":"2022-09-04T14:39:12.556660Z","structure_string":"Na2 Mn4 Fe2 Ag2 P6 O24\n1.0\n6.429409 6.108726 0.000000\n-6.429409 6.108726 0.000000\n0.000000 2.722486 6.004251\nNa Mn Fe Ag P O\n2 4 2 2 6 24\ndirect\n0.500668 0.499548 0.251188 Na\n0.500452 0.499332 0.748812 Na\n0.265815 0.734185 0.500000 Mn\n0.730144 0.269856 0.000000 Mn\n0.374098 0.066154 0.612356 Mn\n0.933846 0.625902 0.387644 Mn\n0.618656 0.936063 0.883214 Fe\n0.063937 0.381344 0.116786 Fe\n0.989844 0.010156 0.500000 Ag\n0.014665 0.985335 0.000000 Ag\n0.714568 0.285432 0.500000 P\n0.288408 0.711592 0.000000 P\n0.651933 0.872958 0.379245 P\n0.127042 0.348067 0.620755 P\n0.349027 0.130055 0.119049 P\n0.869945 0.650973 0.880951 P\n0.603184 0.948996 0.570412 O\n0.051004 0.396816 0.429588 O\n0.408393 0.049496 0.933999 O\n0.950504 0.591607 0.066001 O\n0.549829 0.262892 0.473578 O\n0.737108 0.450171 0.526422 O\n0.464675 0.738253 0.997055 O\n0.261747 0.535325 0.002945 O\n0.258836 0.819232 0.788430 O\n0.180768 0.741164 0.211570 O\n0.736486 0.162895 0.714488 O\n0.837105 0.263514 0.285512 O\n0.319346 0.000664 0.348263 O\n0.999336 0.680654 0.651737 O\n0.658116 0.997182 0.149527 O\n0.002818 0.341884 0.850473 O\n0.273443 0.469481 0.568974 O\n0.530519 0.726557 0.431026 O\n0.727308 0.527172 0.924512 O\n0.472828 0.272692 0.075488 O\n0.163290 0.174562 0.645107 O\n0.825438 0.836710 0.354893 O\n0.811591 0.816721 0.881407 O\n0.183279 0.188409 0.118593 O\n","nsites":40,"nelements":6,"elements":["Na","Mn","Fe","Ag","P","O"],"chemical_system":"Ag-Fe-Mn-Na-O-P","density":4.094615804133742,"density_atomic":0.08481046746393518,"volume":471.6398953585488,"volume_molar":7.10070459470213,"formula_full":"Na2 Mn4 Fe2 Ag2 P6 O24","formula_reduced":"NaMn2FeAg(PO4)3","formula_anonymous":"ABCD2E3F12","energy":-306.90818222,"energy_per_atom":-7.6727045555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-279.23618222,"band_gap":1.1417000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":30.0040254,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.600000Z","spacegroup":5},{"id":"mp-1235388","created_at":"2022-09-04T14:43:14.770909Z","structure_string":"Ba2 Li1 Sm1 Co1 Cu2 O7\n1.0\n3.830898 0.000000 0.000000\n0.000000 4.110701 0.000000\n0.000000 0.000000 12.797152\nBa Li Sm Co Cu O\n2 1 1 1 2 7\ndirect\n0.500000 0.500000 0.112645 Ba\n0.500000 0.500000 0.797555 Ba\n0.500000 0.000000 0.265231 Li\n0.500000 0.500000 0.509403 Sm\n0.000000 0.000000 0.978102 Co\n0.000000 0.000000 0.399098 Cu\n0.000000 0.000000 0.637948 Cu\n0.500000 0.000000 0.404148 O\n0.500000 0.000000 0.627035 O\n0.000000 0.000000 0.133136 O\n0.000000 0.000000 0.838566 O\n0.000000 0.500000 0.392474 O\n0.000000 0.500000 0.630270 O\n0.000000 0.500000 0.979946 O\n","nsites":14,"nelements":6,"elements":["Ba","Li","Sm","Co","Cu","O"],"chemical_system":"Ba-Co-Cu-Li-O-Sm","density":6.014892506747451,"density_atomic":0.06947014892207268,"volume":201.5254064836443,"volume_molar":8.66867403257659,"formula_full":"Ba2 Li1 Sm1 Co1 Cu2 O7","formula_reduced":"Ba2LiSmCoCu2O7","formula_anonymous":"ABCD2E2F7","energy":-88.903949,"energy_per_atom":-6.3502820714285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.456949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6076082,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.660000Z","spacegroup":25},{"id":"mp-1226982","created_at":"2022-09-04T14:39:23.734534Z","structure_string":"Fe2 B36 H84 C16 S4 N4\n1.0\n7.935049 9.597689 0.000000\n-7.935049 9.597689 0.000000\n0.000000 7.713733 9.471978\nFe B H C S N\n2 36 84 16 4 4\ndirect\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.405150 0.100155 0.794083 B\n0.594850 0.899845 0.205917 B\n0.100155 0.405150 0.294083 B\n0.899845 0.594850 0.705917 B\n0.292680 0.088367 0.747611 B\n0.590598 0.791058 0.368468 B\n0.208942 0.409402 0.131532 B\n0.911633 0.707320 0.752389 B\n0.707320 0.911633 0.252389 B\n0.409402 0.208942 0.631532 B\n0.791058 0.590598 0.868468 B\n0.088367 0.292680 0.247611 B\n0.330085 0.973384 0.695713 B\n0.473007 0.827580 0.498315 B\n0.172420 0.526993 0.001685 B\n0.026616 0.669915 0.804287 B\n0.669915 0.026616 0.304287 B\n0.526993 0.172420 0.501685 B\n0.827580 0.473007 0.998315 B\n0.973384 0.330085 0.195713 B\n0.347253 0.954488 0.845043 B\n0.452649 0.851392 0.360483 B\n0.148608 0.547351 0.139517 B\n0.045512 0.652747 0.654957 B\n0.652747 0.045512 0.154957 B\n0.547351 0.148608 0.639517 B\n0.851392 0.452649 0.860483 B\n0.954488 0.347253 0.345043 B\n0.373154 0.130992 0.562517 B\n0.626846 0.869008 0.437483 B\n0.130992 0.373154 0.062517 B\n0.869008 0.626846 0.937483 B\n0.514618 0.990366 0.767806 B\n0.485382 0.009634 0.232194 B\n0.990366 0.514618 0.267806 B\n0.009634 0.485382 0.732194 B\n0.186388 0.107649 0.804450 H\n0.614001 0.685179 0.397310 H\n0.314821 0.385999 0.102690 H\n0.892351 0.813612 0.695550 H\n0.813612 0.892351 0.195550 H\n0.385999 0.314821 0.602690 H\n0.685179 0.614001 0.897310 H\n0.107649 0.186388 0.304450 H\n0.579411 0.629069 0.691372 H\n0.129300 0.079849 0.600399 H\n0.920151 0.870700 0.899601 H\n0.370931 0.420589 0.808628 H\n0.420589 0.370931 0.308628 H\n0.870700 0.920151 0.399601 H\n0.079849 0.129300 0.100399 H\n0.629069 0.579411 0.191372 H\n0.376269 0.124895 0.888051 H\n0.623731 0.875105 0.111949 H\n0.124895 0.376269 0.388051 H\n0.875105 0.623731 0.611949 H\n0.452635 0.543476 0.860012 H\n0.043345 0.952302 0.643667 H\n0.047698 0.956655 0.856333 H\n0.456524 0.547365 0.639988 H\n0.547365 0.456524 0.139988 H\n0.956655 0.047698 0.356333 H\n0.952302 0.043345 0.143667 H\n0.543476 0.452635 0.360012 H\n0.288829 0.875468 0.962388 H\n0.376821 0.793909 0.371393 H\n0.206091 0.623179 0.128607 H\n0.124532 0.711171 0.537612 H\n0.711171 0.124532 0.037612 H\n0.623179 0.206091 0.628607 H\n0.793909 0.376821 0.871393 H\n0.875468 0.288829 0.462388 H\n0.563703 0.938644 0.842695 H\n0.436297 0.061356 0.157305 H\n0.938644 0.563703 0.342695 H\n0.061356 0.436297 0.657305 H\n0.608714 0.523614 0.837488 H\n0.022988 0.107764 0.531562 H\n0.892236 0.977012 0.968438 H\n0.476386 0.391286 0.662512 H\n0.391286 0.476386 0.162512 H\n0.977012 0.892236 0.468438 H\n0.107764 0.022988 0.031562 H\n0.523614 0.608714 0.337488 H\n0.258009 0.906918 0.714843 H\n0.407256 0.758991 0.619590 H\n0.241009 0.592744 0.880410 H\n0.093082 0.741991 0.785157 H\n0.741991 0.093082 0.285157 H\n0.592744 0.241009 0.380410 H\n0.758991 0.407256 0.119590 H\n0.906918 0.258009 0.214843 H\n0.618946 0.310991 0.899825 H\n0.809593 0.118115 0.671211 H\n0.881885 0.190407 0.828789 H\n0.689009 0.381054 0.600175 H\n0.381054 0.689009 0.100175 H\n0.190407 0.881885 0.328789 H\n0.118115 0.809593 0.171211 H\n0.310991 0.618946 0.399825 H\n0.553843 0.245494 0.840070 H\n0.745729 0.054052 0.859530 H\n0.945948 0.254271 0.640470 H\n0.754506 0.446157 0.659930 H\n0.446157 0.754506 0.159930 H\n0.254271 0.945948 0.140470 H\n0.054052 0.745729 0.359530 H\n0.245494 0.553843 0.340070 H\n0.455187 0.305283 0.961480 H\n0.804358 0.954601 0.777886 H\n0.045399 0.195642 0.722114 H\n0.694717 0.544813 0.538520 H\n0.544813 0.694717 0.038520 H\n0.195642 0.045399 0.222114 H\n0.954601 0.804358 0.277886 H\n0.305283 0.455187 0.461480 H\n0.317413 0.179535 0.494499 H\n0.682587 0.820465 0.505501 H\n0.179535 0.317413 0.994499 H\n0.820465 0.682587 0.005501 H\n0.549545 0.541195 0.788421 C\n0.041175 0.049169 0.621485 C\n0.950831 0.958825 0.878515 C\n0.458805 0.450455 0.711579 C\n0.450455 0.458805 0.211579 C\n0.958825 0.950831 0.378515 C\n0.049169 0.041175 0.121485 C\n0.541195 0.549545 0.288421 C\n0.545913 0.316098 0.872278 C\n0.815907 0.045482 0.765497 C\n0.954518 0.184093 0.734503 C\n0.683902 0.454087 0.627722 C\n0.454087 0.683902 0.127722 C\n0.184093 0.954518 0.234503 C\n0.045482 0.815907 0.265497 C\n0.316098 0.545913 0.372278 C\n0.469248 0.878718 0.728794 S\n0.121282 0.530752 0.771206 S\n0.530752 0.121282 0.271206 S\n0.878718 0.469248 0.228794 S\n0.559464 0.440536 0.750000 N\n0.940757 0.059243 0.750000 N\n0.440536 0.559464 0.250000 N\n0.059243 0.940757 0.250000 N\n","nsites":146,"nelements":6,"elements":["Fe","B","H","C","S","N"],"chemical_system":"B-C-Fe-H-N-S","density":1.107240990072482,"density_atomic":0.10119659349466589,"volume":1442.7363111555303,"volume_molar":5.950932291329974,"formula_full":"Fe2 B36 H84 C16 S4 N4","formula_reduced":"FeB18H42C8(SN)2","formula_anonymous":"AB2C2D8E18F42","energy":-758.7421278200001,"energy_per_atom":-5.196863889178083,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-755.28612782,"band_gap":0.5531999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004568,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.686000Z","spacegroup":15},{"id":"mp-1199306","created_at":"2022-09-04T14:39:23.722298Z","structure_string":"Co4 H64 C16 S16 N32 Cl8\n1.0\n13.579297 0.000000 0.000000\n0.000000 13.579297 0.000000\n0.000000 0.000000 9.463172\nCo H C S N Cl\n4 64 16 16 32 8\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.250000 0.750000 Co\n0.400715 0.903275 0.298306 H\n0.599285 0.096725 0.298306 H\n0.596725 0.900715 0.798306 H\n0.403275 0.099285 0.798306 H\n0.099285 0.596725 0.201694 H\n0.900715 0.403275 0.201694 H\n0.903275 0.599285 0.701694 H\n0.096725 0.400715 0.701694 H\n0.328702 0.852658 0.162324 H\n0.671298 0.147342 0.162324 H\n0.647342 0.828702 0.662324 H\n0.352658 0.171298 0.662324 H\n0.171298 0.647342 0.337676 H\n0.828702 0.352658 0.337676 H\n0.852658 0.671298 0.837676 H\n0.147342 0.328702 0.837676 H\n0.250733 0.951752 0.003873 H\n0.749267 0.048248 0.003873 H\n0.548248 0.750733 0.503873 H\n0.451752 0.249267 0.503873 H\n0.249267 0.548248 0.496127 H\n0.750733 0.451752 0.496127 H\n0.951752 0.749267 0.996127 H\n0.048248 0.250733 0.996127 H\n0.250660 0.080502 0.026259 H\n0.749340 0.919498 0.026259 H\n0.419498 0.750660 0.526259 H\n0.580502 0.249340 0.526259 H\n0.249340 0.419498 0.473741 H\n0.750660 0.580502 0.473741 H\n0.080502 0.749340 0.973741 H\n0.919498 0.250660 0.973741 H\n0.914543 0.059933 0.254112 H\n0.085457 0.940067 0.254112 H\n0.440067 0.414543 0.754112 H\n0.559933 0.585457 0.754112 H\n0.585457 0.440067 0.245888 H\n0.414543 0.559933 0.245888 H\n0.059933 0.085457 0.745888 H\n0.940067 0.914543 0.745888 H\n0.857324 0.138028 0.376957 H\n0.142676 0.861972 0.376957 H\n0.361972 0.357324 0.876957 H\n0.638028 0.642676 0.876957 H\n0.642676 0.361972 0.123043 H\n0.357324 0.638028 0.123043 H\n0.138028 0.142676 0.623043 H\n0.861972 0.857324 0.623043 H\n0.946016 0.253955 0.502550 H\n0.053984 0.746045 0.502550 H\n0.246045 0.446016 0.002550 H\n0.753955 0.553984 0.002550 H\n0.553984 0.246045 0.997450 H\n0.446016 0.753955 0.997450 H\n0.253955 0.053984 0.497450 H\n0.746045 0.946016 0.497450 H\n0.065041 0.282468 0.445370 H\n0.934959 0.717532 0.445370 H\n0.217532 0.565041 0.945370 H\n0.782468 0.434959 0.945370 H\n0.434959 0.217532 0.054630 H\n0.565041 0.782468 0.054630 H\n0.282468 0.934959 0.554630 H\n0.717532 0.065041 0.554630 H\n0.326496 0.003685 0.177018 C\n0.673504 0.996315 0.177018 C\n0.496315 0.826496 0.677018 C\n0.503685 0.173504 0.677018 C\n0.173504 0.496315 0.322982 C\n0.826496 0.503685 0.322982 C\n0.003685 0.673504 0.822982 C\n0.996315 0.326496 0.822982 C\n0.002615 0.168620 0.338992 C\n0.997385 0.831380 0.338992 C\n0.331380 0.502615 0.838992 C\n0.668620 0.497385 0.838992 C\n0.497385 0.331380 0.161008 C\n0.502615 0.668620 0.161008 C\n0.168620 0.997385 0.661008 C\n0.831380 0.002615 0.661008 C\n0.361271 0.104430 0.275434 S\n0.638729 0.895570 0.275434 S\n0.395570 0.861271 0.775434 S\n0.604430 0.138729 0.775434 S\n0.138729 0.395570 0.224566 S\n0.861271 0.604430 0.224566 S\n0.104430 0.638729 0.724566 S\n0.895570 0.361271 0.724566 S\n0.102393 0.142666 0.233309 S\n0.897607 0.857334 0.233309 S\n0.357334 0.602393 0.733309 S\n0.642666 0.397607 0.733309 S\n0.397607 0.357334 0.266691 S\n0.602393 0.642666 0.266691 S\n0.142666 0.897607 0.766691 S\n0.857334 0.102393 0.766691 S\n0.353257 0.912864 0.217079 N\n0.646743 0.087136 0.217079 N\n0.587136 0.853257 0.717079 N\n0.412864 0.146743 0.717079 N\n0.146743 0.587136 0.282921 N\n0.853257 0.412864 0.282921 N\n0.912864 0.646743 0.782921 N\n0.087136 0.353257 0.782921 N\n0.271471 0.012167 0.060340 N\n0.728529 0.987833 0.060340 N\n0.487833 0.771471 0.560340 N\n0.512167 0.228529 0.560340 N\n0.228529 0.487833 0.439660 N\n0.771471 0.512167 0.439660 N\n0.012167 0.728529 0.939660 N\n0.987833 0.271471 0.939660 N\n0.919098 0.117184 0.322973 N\n0.080902 0.882816 0.322973 N\n0.382816 0.419098 0.822973 N\n0.617184 0.580902 0.822973 N\n0.580902 0.382816 0.177027 N\n0.419098 0.617184 0.177027 N\n0.117184 0.080902 0.677027 N\n0.882816 0.919098 0.677027 N\n0.004367 0.239150 0.437621 N\n0.995633 0.760850 0.437621 N\n0.260850 0.504367 0.937621 N\n0.739150 0.495633 0.937621 N\n0.495633 0.260850 0.062379 N\n0.504367 0.739150 0.062379 N\n0.239150 0.995633 0.562379 N\n0.760850 0.004367 0.562379 N\n0.251115 0.241098 0.981434 Cl\n0.748885 0.758902 0.981434 Cl\n0.258902 0.751115 0.481434 Cl\n0.741098 0.248885 0.481434 Cl\n0.248885 0.258902 0.518566 Cl\n0.751115 0.741098 0.518566 Cl\n0.241098 0.748885 0.018566 Cl\n0.758902 0.251115 0.018566 Cl\n","nsites":140,"nelements":6,"elements":["Co","H","C","S","N","Cl"],"chemical_system":"C-Cl-Co-H-N-S","density":1.6532184534187597,"density_atomic":0.0802299880809859,"volume":1744.9834326122664,"volume_molar":7.506097039327888,"formula_full":"Co4 H64 C16 S16 N32 Cl8","formula_reduced":"CoH16C4S4(N4Cl)2","formula_anonymous":"AB2C4D4E8F16","energy":-802.74347311,"energy_per_atom":-5.733881950785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-778.23147311,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.3769856,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.313000Z","spacegroup":86},{"id":"mp-1221365","created_at":"2022-09-04T14:43:15.313667Z","structure_string":"Na4 Mn2 Cd2 Fe2 P6 O24\n1.0\n6.641977 0.000000 0.000000\n-2.471265 8.504467 0.000000\n-2.575911 -1.129893 8.453311\nNa Mn Cd Fe P O\n4 2 2 2 6 24\ndirect\n0.750939 0.022009 0.977548 Na\n0.249052 0.978481 0.022629 Na\n0.745314 0.732321 0.266817 Na\n0.503532 0.503861 0.494807 Na\n0.357422 0.931480 0.619875 Mn\n0.144862 0.378198 0.071190 Mn\n0.251985 0.267629 0.732229 Cd\n0.993715 0.507074 0.495097 Cd\n0.639854 0.061071 0.383092 Fe\n0.860278 0.618476 0.936504 Fe\n0.365241 0.656167 0.865507 P\n0.127716 0.134312 0.345548 P\n0.635207 0.340072 0.135764 P\n0.873145 0.863638 0.659062 P\n0.752787 0.285398 0.717877 P\n0.247671 0.720596 0.275786 P\n0.397894 0.831418 0.838444 O\n0.098973 0.159619 0.170500 O\n0.625903 0.168388 0.180167 O\n0.876178 0.821000 0.830038 O\n0.588016 0.644066 0.976934 O\n0.906408 0.015925 0.352068 O\n0.407978 0.323084 0.011901 O\n0.097763 0.992221 0.681370 O\n0.545539 0.171403 0.743930 O\n0.959996 0.254878 0.829740 O\n0.453733 0.850669 0.261377 O\n0.039811 0.739155 0.148788 O\n0.300588 0.542116 0.707373 O\n0.180637 0.290666 0.457099 O\n0.682548 0.454265 0.286303 O\n0.835750 0.714622 0.548052 O\n0.759693 0.261927 0.543190 O\n0.745713 0.458950 0.741591 O\n0.208680 0.737746 0.438608 O\n0.287352 0.559171 0.260456 O\n0.177570 0.600817 0.940802 O\n0.322401 0.062800 0.404743 O\n0.818803 0.404820 0.057084 O\n0.683354 0.939494 0.590110 O\n","nsites":40,"nelements":6,"elements":["Na","Mn","Cd","Fe","P","O"],"chemical_system":"Cd-Fe-Mn-Na-O-P","density":3.8537741919784536,"density_atomic":0.08377003107756972,"volume":477.497733801252,"volume_molar":7.188896413830375,"formula_full":"Na4 Mn2 Cd2 Fe2 P6 O24","formula_reduced":"Na2MnCdFe(PO4)3","formula_anonymous":"ABCD2E3F12","energy":-291.42090589000003,"energy_per_atom":-7.2855226472500005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-267.08490589,"band_gap":1.2773,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.763000Z","spacegroup":1},{"id":"mp-1217511","created_at":"2022-09-04T14:39:23.701081Z","structure_string":"V4 Co1 H12 C2 N6 O20\n1.0\n3.746962 0.037304 -0.412561\n1.791573 -8.386494 -0.204620\n0.476456 0.015601 -18.523986\nV Co H C N O\n4 1 12 2 6 20\ndirect\n0.261955 0.898802 0.049410 V\n0.828998 0.909369 0.444436 V\n0.738045 0.101198 0.950590 V\n0.171002 0.090631 0.555564 V\n0.500000 0.500000 0.000000 Co\n0.620343 0.456308 0.201944 H\n0.811653 0.458178 0.314101 H\n0.379657 0.543692 0.798056 H\n0.188347 0.541822 0.685899 H\n0.532822 0.630206 0.150499 H\n0.801073 0.633756 0.360348 H\n0.467178 0.369794 0.849501 H\n0.198927 0.366244 0.639652 H\n0.476141 0.874769 0.210854 H\n0.677909 0.879002 0.291975 H\n0.523859 0.125231 0.789146 H\n0.322091 0.120998 0.708025 H\n0.663519 0.657014 0.254117 C\n0.336481 0.342986 0.745883 C\n0.615751 0.574646 0.196622 N\n0.784127 0.578064 0.312399 N\n0.384249 0.425354 0.803378 N\n0.215873 0.421936 0.687601 N\n0.601545 0.815147 0.252004 N\n0.398455 0.184853 0.747996 N\n0.470258 0.747106 0.739750 O\n0.692699 0.743197 0.679180 O\n0.529742 0.252894 0.260250 O\n0.307301 0.256803 0.320819 O\n0.183626 0.959836 0.133598 O\n0.849067 0.972689 0.357366 O\n0.816374 0.040164 0.866402 O\n0.150933 0.027311 0.642634 O\n0.369754 0.689794 0.053773 O\n0.903430 0.711691 0.442718 O\n0.630246 0.310206 0.946227 O\n0.096570 0.288309 0.557282 O\n0.770765 0.924199 0.021477 O\n0.294675 0.946873 0.467293 O\n0.229235 0.075801 0.978523 O\n0.705325 0.053127 0.532707 O\n0.580232 0.704860 0.621285 O\n0.419768 0.295140 0.378715 O\n0.950792 0.543752 0.968380 O\n0.049208 0.456248 0.031620 O\n","nsites":45,"nelements":6,"elements":["V","Co","H","C","N","O"],"chemical_system":"C-Co-H-N-O-V","density":2.0064238549840487,"density_atomic":0.07736189705234583,"volume":581.6817026804731,"volume_molar":7.784375757907284,"formula_full":"V4 Co1 H12 C2 N6 O20","formula_reduced":"V4CoH12C2(N3O10)2","formula_anonymous":"AB2C4D6E12F20","energy":-284.57247898,"energy_per_atom":-6.323832866222223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-273.96847898,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.998899,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.759000Z","spacegroup":2},{"id":"mp-1218883","created_at":"2022-09-04T14:39:06.719864Z","structure_string":"Sr2 Ce1 Eu1 Cu2 Ru1 O10\n1.0\n2.757917 2.754192 0.000000\n-2.757917 2.754192 0.000000\n0.000000 2.744289 14.470642\nSr Ce Eu Cu Ru O\n2 1 1 2 1 10\ndirect\n0.575212 0.575212 0.841196 Sr\n0.417173 0.417173 0.152500 Sr\n0.293366 0.293366 0.412160 Ce\n0.704135 0.704135 0.590787 Eu\n0.141137 0.141137 0.713880 Cu\n0.854858 0.854858 0.286073 Cu\n0.972774 0.972774 0.000318 Ru\n0.062765 0.062765 0.866099 O\n0.926074 0.926074 0.136416 O\n0.645883 0.146563 0.704518 O\n0.146563 0.645883 0.704518 O\n0.348206 0.848898 0.299535 O\n0.848898 0.348206 0.299535 O\n0.752719 0.252706 0.494105 O\n0.252706 0.752719 0.494105 O\n0.474413 0.954117 0.002127 O\n0.954117 0.474413 0.002127 O\n","nsites":17,"nelements":6,"elements":["Sr","Ce","Eu","Cu","Ru","O"],"chemical_system":"Ce-Cu-Eu-O-Ru-Sr","density":6.461952007932866,"density_atomic":0.07733137317971936,"volume":219.83315827706465,"volume_molar":7.787448369763778,"formula_full":"Sr2 Ce1 Eu1 Cu2 Ru1 O10","formula_reduced":"Sr2CeEuCu2RuO10","formula_anonymous":"ABCD2E2F10","energy":-128.06651369,"energy_per_atom":-7.533324334705882,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-121.19651369,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9050614,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.413000Z","spacegroup":8}]}