{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10142","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10140","results":[{"id":"mp-653995","created_at":"2022-09-04T14:44:11.053685Z","structure_string":"As16 Pb32 Cl24 O44\n1.0\n11.446722 0.000000 0.000000\n0.000000 6.776067 0.000000\n0.000000 2.469013 35.107261\nAs Pb Cl O\n16 32 24 44\ndirect\n0.377153 0.301292 0.846124 As\n0.628519 0.276101 0.445627 As\n0.120013 0.266140 0.443318 As\n0.620013 0.733860 0.056682 As\n0.372076 0.682911 0.652739 As\n0.371481 0.723899 0.554373 As\n0.872076 0.317089 0.847261 As\n0.379987 0.266140 0.943318 As\n0.877153 0.698708 0.653876 As\n0.127924 0.682911 0.152739 As\n0.871481 0.276101 0.945627 As\n0.128519 0.723899 0.054373 As\n0.122847 0.301292 0.346124 As\n0.879987 0.733860 0.556682 As\n0.627924 0.317089 0.347261 As\n0.622847 0.698708 0.153876 As\n0.870439 0.798395 0.991719 Pb\n0.628045 0.194789 0.014342 Pb\n0.620272 0.715321 0.710484 Pb\n0.382005 0.838702 0.820554 Pb\n0.635775 0.985215 0.911421 Pb\n0.864225 0.985215 0.411421 Pb\n0.920952 0.062705 0.095801 Pb\n0.129561 0.201605 0.008281 Pb\n0.382536 0.173784 0.669987 Pb\n0.371955 0.805211 0.985658 Pb\n0.871955 0.194789 0.514342 Pb\n0.420952 0.937295 0.404199 Pb\n0.871073 0.284087 0.287705 Pb\n0.617464 0.826216 0.330013 Pb\n0.882536 0.826216 0.830013 Pb\n0.117464 0.173784 0.169987 Pb\n0.117995 0.838702 0.320554 Pb\n0.128927 0.715913 0.712295 Pb\n0.079048 0.937295 0.904199 Pb\n0.364225 0.014785 0.088579 Pb\n0.120272 0.284679 0.789516 Pb\n0.135775 0.014785 0.588579 Pb\n0.379728 0.284679 0.289516 Pb\n0.879728 0.715321 0.210484 Pb\n0.882005 0.161298 0.679446 Pb\n0.617995 0.161298 0.179446 Pb\n0.629561 0.798395 0.491719 Pb\n0.370439 0.201605 0.508281 Pb\n0.628927 0.284087 0.787705 Pb\n0.128045 0.805211 0.485658 Pb\n0.579048 0.062705 0.595801 Pb\n0.371073 0.715913 0.212295 Pb\n0.126333 0.625404 0.964074 Cl\n0.870103 0.644779 0.319011 Cl\n0.139055 0.359939 0.541591 Cl\n0.129897 0.355221 0.680989 Cl\n0.629897 0.644779 0.819011 Cl\n0.119855 0.528371 0.248299 Cl\n0.114416 0.726506 0.393597 Cl\n0.865640 0.345573 0.182114 Cl\n0.360945 0.359939 0.041591 Cl\n0.370103 0.355221 0.180989 Cl\n0.873667 0.374596 0.035926 Cl\n0.880145 0.471629 0.751701 Cl\n0.639055 0.640061 0.958409 Cl\n0.860945 0.640061 0.458409 Cl\n0.385584 0.726506 0.893597 Cl\n0.134360 0.654427 0.817886 Cl\n0.885584 0.273494 0.606403 Cl\n0.380145 0.528371 0.748299 Cl\n0.614416 0.273494 0.106403 Cl\n0.373667 0.625404 0.464074 Cl\n0.626333 0.374596 0.535926 Cl\n0.634360 0.345573 0.682114 Cl\n0.365640 0.654427 0.317886 Cl\n0.619855 0.471629 0.251701 Cl\n0.001874 0.833919 0.162831 O\n0.998649 0.098892 0.457261 O\n0.868612 0.811110 0.605616 O\n0.502928 0.853643 0.168515 O\n0.585677 0.792965 0.389679 O\n0.730298 0.900036 0.036890 O\n0.756402 0.104228 0.961915 O\n0.490023 0.896559 0.543344 O\n0.914323 0.792965 0.889679 O\n0.498126 0.833919 0.662831 O\n0.769702 0.900036 0.536890 O\n0.843608 0.216431 0.895951 O\n0.233482 0.143899 0.326740 O\n0.497072 0.146357 0.831485 O\n0.734257 0.154635 0.328498 O\n0.131388 0.188890 0.394384 O\n0.990023 0.103441 0.956656 O\n0.002928 0.146357 0.331485 O\n0.509977 0.103441 0.456656 O\n0.243598 0.895772 0.038085 O\n0.997072 0.853643 0.668515 O\n0.156392 0.783569 0.104049 O\n0.265743 0.845365 0.671502 O\n0.766518 0.856101 0.673260 O\n0.743598 0.104228 0.461915 O\n0.230298 0.099964 0.463110 O\n0.998126 0.166081 0.837169 O\n0.631388 0.811110 0.105616 O\n0.266518 0.143899 0.826740 O\n0.009977 0.896559 0.043344 O\n0.765743 0.154635 0.828498 O\n0.085677 0.207035 0.110321 O\n0.256402 0.895772 0.538085 O\n0.001351 0.901108 0.542739 O\n0.414323 0.207035 0.610321 O\n0.656392 0.216431 0.395951 O\n0.269702 0.099964 0.963110 O\n0.733482 0.856101 0.173260 O\n0.501351 0.098892 0.957261 O\n0.501874 0.166081 0.337169 O\n0.498649 0.901108 0.042739 O\n0.234257 0.845365 0.171502 O\n0.343608 0.783569 0.604049 O\n0.368612 0.188890 0.894384 O\n","nsites":116,"nelements":4,"elements":["As","Pb","Cl","O"],"chemical_system":"As-Cl-O-Pb","density":5.7224356060553605,"density_atomic":0.04259927562279475,"volume":2723.050998029852,"volume_molar":14.136721040339873,"formula_full":"As16 Pb32 Cl24 O44","formula_reduced":"As4Pb8Cl6O11","formula_anonymous":"A4B6C8D11","energy":-638.1905836000001,"energy_per_atom":-5.501642962068966,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-593.2265836,"band_gap":2.1775,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0227418,"is_theoretical":false,"updated_at":"2021-11-28T01:36:32.101000Z","spacegroup":14},{"id":"mp-1226372","created_at":"2022-09-04T14:42:26.349638Z","structure_string":"K4 Re6 Se8 O11\n1.0\n8.331413 0.000000 0.000000\n-3.089972 8.335818 0.000000\n-2.691316 -1.027428 9.169616\nK Re Se O\n4 6 8 11\ndirect\n0.727975 0.341100 0.353749 K\n0.253415 0.623752 0.656997 K\n0.542234 0.825402 0.378809 K\n0.436330 0.170115 0.626053 K\n0.176276 0.273764 0.025812 Re\n0.862033 0.785081 0.005762 Re\n0.207507 0.015182 0.166281 Re\n0.790148 0.010072 0.855586 Re\n0.086148 0.954330 0.855859 Re\n0.912401 0.069678 0.178025 Re\n0.398270 0.130749 0.000181 Se\n0.594962 0.880867 0.018511 Se\n0.862997 0.272205 0.002276 Se\n0.153330 0.749662 0.025918 Se\n0.021400 0.192196 0.747161 Se\n0.986014 0.821119 0.276324 Se\n0.196758 0.315106 0.292399 Se\n0.678295 0.557498 0.611765 Se\n0.753834 0.397978 0.632635 O\n0.177127 0.636164 0.351739 O\n0.348932 0.453642 0.022070 O\n0.709860 0.588676 0.934602 O\n0.674507 0.599502 0.436015 O\n0.451516 0.469012 0.598091 O\n0.395029 0.079874 0.335138 O\n0.605639 0.915564 0.697392 O\n0.084877 0.846079 0.699417 O\n0.830376 0.070156 0.333400 O\n0.082809 0.473475 0.341035 O\n","nsites":29,"nelements":4,"elements":["K","Re","Se","O"],"chemical_system":"K-O-Re-Se","density":5.427096448747614,"density_atomic":0.045538630050762904,"volume":636.8219678034466,"volume_molar":13.224246652319117,"formula_full":"K4 Re6 Se8 O11","formula_reduced":"K4Re6Se8O11","formula_anonymous":"A4B6C8D11","energy":-190.75215438,"energy_per_atom":-6.5776604958620695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.20515438,"band_gap":0.1226,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025215,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.957000Z","spacegroup":1},{"id":"mp-1212804","created_at":"2022-09-04T14:46:15.526270Z","structure_string":"H28 C16 N36 O24\n1.0\n0.000000 -7.367026 0.000000\n-9.568878 0.000000 1.075413\n-0.529777 0.000000 -17.078409\nH C N O\n28 16 36 24\ndirect\n0.717283 0.413207 0.973968 H\n0.217283 0.586793 0.026032 H\n0.380671 0.813945 0.728134 H\n0.880671 0.186055 0.271866 H\n0.974314 0.693927 0.644303 H\n0.474314 0.306073 0.355697 H\n0.572836 0.407955 0.286936 H\n0.072836 0.592045 0.713064 H\n0.588898 0.852173 0.775415 H\n0.088898 0.147827 0.224585 H\n0.833577 0.565665 0.952085 H\n0.333577 0.434335 0.047915 H\n0.931664 0.413710 0.472120 H\n0.431664 0.586290 0.527880 H\n0.560739 0.145423 0.725171 H\n0.060739 0.854577 0.274829 H\n0.717044 0.706322 0.859579 H\n0.217044 0.293678 0.140421 H\n0.688090 0.706414 0.152326 H\n0.188090 0.293586 0.847674 H\n0.817448 0.568867 0.452841 H\n0.317448 0.431133 0.547159 H\n0.767926 0.184899 0.773064 H\n0.267926 0.815101 0.226936 H\n0.588188 0.603822 0.220190 H\n0.088188 0.396178 0.779810 H\n0.941668 0.716267 0.364904 H\n0.441668 0.283733 0.635096 H\n0.553211 0.942748 0.405511 C\n0.053211 0.057252 0.594489 C\n0.684017 0.324718 0.696840 C\n0.184017 0.675282 0.303160 C\n0.092994 0.933564 0.901920 C\n0.592994 0.066436 0.098080 C\n0.828316 0.521847 0.665547 C\n0.328316 0.478153 0.334453 C\n0.592766 0.525447 0.893915 C\n0.092766 0.474553 0.106085 C\n0.559583 0.469810 0.604595 C\n0.059583 0.530190 0.395405 C\n0.327543 0.470863 0.830809 C\n0.827543 0.529137 0.169191 C\n0.469437 0.669794 0.800980 C\n0.969437 0.330206 0.199020 C\n0.483028 0.786098 0.764066 N\n0.983028 0.213902 0.235934 N\n0.606983 0.641254 0.851922 N\n0.106983 0.358746 0.148078 N\n0.666679 0.211513 0.736304 N\n0.166679 0.788487 0.263696 N\n0.543891 0.808687 0.431260 N\n0.043891 0.191313 0.568740 N\n0.913082 0.957498 0.567935 N\n0.413082 0.042502 0.432065 N\n0.966943 0.980984 0.850782 N\n0.466943 0.019016 0.149218 N\n0.969835 0.608313 0.675125 N\n0.469835 0.391687 0.324875 N\n0.107295 0.800590 0.926139 N\n0.607295 0.199410 0.073861 N\n0.725113 0.963503 0.064497 N\n0.225113 0.036497 0.935503 N\n0.825612 0.409333 0.708951 N\n0.325612 0.590667 0.291049 N\n0.924700 0.502965 0.443770 N\n0.424700 0.497036 0.556230 N\n0.548745 0.351267 0.644441 N\n0.048745 0.648733 0.355559 N\n0.699825 0.555574 0.613821 N\n0.199825 0.444425 0.386179 N\n0.690497 0.619202 0.181706 N\n0.190497 0.380798 0.818294 N\n0.724494 0.501200 0.944521 N\n0.224494 0.498800 0.055479 N\n0.688871 0.988826 0.357159 N\n0.188871 0.011174 0.642841 N\n0.452161 0.440050 0.884943 N\n0.952161 0.559950 0.115057 N\n0.329117 0.584164 0.788137 N\n0.829117 0.415836 0.211863 N\n0.848364 0.901560 0.818879 O\n0.348364 0.098440 0.181121 O\n0.694941 0.911961 0.997094 O\n0.194941 0.088039 0.002906 O\n0.978598 0.108826 0.837839 O\n0.478598 0.891174 0.162161 O\n0.995845 0.706808 0.903566 O\n0.495845 0.293192 0.096434 O\n0.855221 0.935363 0.106178 O\n0.355221 0.064637 0.893822 O\n0.828440 0.916697 0.341739 O\n0.328440 0.083303 0.658261 O\n0.164081 0.895286 0.671033 O\n0.664081 0.104714 0.328967 O\n0.239639 0.779026 0.970732 O\n0.739639 0.220974 0.029268 O\n0.752730 0.992892 0.578484 O\n0.252730 0.007108 0.421516 O\n0.653149 0.716206 0.404633 O\n0.153149 0.283794 0.595367 O\n0.423111 0.785734 0.480439 O\n0.923111 0.214266 0.519561 O\n0.963796 0.843485 0.536300 O\n0.463796 0.156515 0.463700 O\n","nsites":104,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.5237715858486538,"density_atomic":0.08608376994578071,"volume":1208.1255277911703,"volume_molar":6.995674984718962,"formula_full":"H28 C16 N36 O24","formula_reduced":"H7C4(N3O2)3","formula_anonymous":"A4B6C7D9","energy":-712.6435384800001,"energy_per_atom":-6.8523417161538465,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-683.15953848,"band_gap":2.3271,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006894,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.497000Z","spacegroup":4},{"id":"mp-1212918","created_at":"2022-09-04T14:40:24.276168Z","structure_string":"H28 C16 N36 O24\n1.0\n5.527519 0.000000 -3.143427\n-5.622848 0.000000 -5.568656\n0.000000 23.578492 0.000000\nH C N O\n28 16 36 24\ndirect\n0.640552 0.581287 0.614135 H\n0.359448 0.418713 0.385865 H\n0.859448 0.918713 0.114135 H\n0.140552 0.081287 0.885865 H\n0.013242 0.496973 0.054346 H\n0.986758 0.503027 0.945654 H\n0.486758 0.003027 0.554346 H\n0.513242 0.996973 0.445654 H\n0.157333 0.804123 0.383354 H\n0.842667 0.195877 0.616646 H\n0.342667 0.695877 0.883354 H\n0.657333 0.304123 0.116646 H\n0.154686 0.565469 0.118014 H\n0.845314 0.434531 0.881986 H\n0.345314 0.934531 0.618014 H\n0.654686 0.065469 0.381986 H\n0.984861 0.747073 0.616098 H\n0.015139 0.252927 0.383902 H\n0.515139 0.752927 0.116098 H\n0.484861 0.247073 0.883902 H\n0.897813 0.651386 0.382195 H\n0.102187 0.348614 0.617805 H\n0.602187 0.848614 0.882195 H\n0.397813 0.151386 0.117805 H\n0.506644 0.502842 0.550289 H\n0.493356 0.497158 0.449711 H\n0.993356 0.997158 0.050289 H\n0.006644 0.002842 0.949711 H\n0.011384 0.743474 0.460555 C\n0.988616 0.256526 0.539445 C\n0.488616 0.756526 0.960555 C\n0.511384 0.243474 0.039445 C\n0.819178 0.657173 0.541841 C\n0.180822 0.342827 0.458159 C\n0.680822 0.842827 0.041841 C\n0.319178 0.157173 0.958159 C\n0.180215 0.843124 0.544200 C\n0.819785 0.156876 0.455800 C\n0.319785 0.656876 0.044200 C\n0.680215 0.343124 0.955800 C\n0.681129 0.624704 0.262796 C\n0.318871 0.375296 0.737204 C\n0.818871 0.875296 0.762796 C\n0.181129 0.124704 0.237204 C\n0.997714 0.748550 0.572381 N\n0.002286 0.251450 0.427619 N\n0.502286 0.751450 0.072381 N\n0.497714 0.248550 0.927619 N\n0.702645 0.662157 0.205069 N\n0.297355 0.337843 0.794931 N\n0.797355 0.837843 0.705069 N\n0.202645 0.162157 0.294931 N\n0.349147 0.933230 0.574947 N\n0.650853 0.066770 0.425053 N\n0.150853 0.566770 0.074947 N\n0.849147 0.433230 0.925053 N\n0.189689 0.845043 0.487770 N\n0.810311 0.154957 0.512230 N\n0.310311 0.654957 0.987770 N\n0.689689 0.345043 0.012230 N\n0.641933 0.575307 0.571030 N\n0.358067 0.424693 0.428970 N\n0.858067 0.924693 0.071030 N\n0.141933 0.075307 0.928970 N\n0.196514 0.963211 0.214655 N\n0.803486 0.036789 0.785345 N\n0.303486 0.536789 0.714655 N\n0.696514 0.463211 0.285345 N\n0.822945 0.649720 0.485542 N\n0.177055 0.350280 0.514458 N\n0.677055 0.850280 0.985542 N\n0.322945 0.149720 0.014458 N\n0.021667 0.735184 0.404148 N\n0.978333 0.264816 0.595852 N\n0.478333 0.764816 0.904148 N\n0.521667 0.235184 0.095852 N\n0.862571 0.748406 0.802221 N\n0.137429 0.251594 0.197779 N\n0.637429 0.751594 0.302221 N\n0.362571 0.248406 0.697779 N\n0.230514 0.959686 0.161710 O\n0.769486 0.040314 0.838290 O\n0.269486 0.540314 0.661710 O\n0.730514 0.459686 0.338290 O\n0.001166 0.804852 0.840036 O\n0.998834 0.195148 0.159964 O\n0.498834 0.695148 0.340036 O\n0.501166 0.304852 0.659964 O\n0.740872 0.908009 0.297762 O\n0.259128 0.091991 0.702238 O\n0.759128 0.591991 0.797762 O\n0.240872 0.408009 0.202238 O\n0.176601 0.832587 0.245219 O\n0.823399 0.167413 0.754781 O\n0.323399 0.667413 0.745219 O\n0.676601 0.332587 0.254781 O\n0.769610 0.564729 0.171959 O\n0.230390 0.435271 0.828041 O\n0.730390 0.935271 0.671959 O\n0.269610 0.064729 0.328041 O\n0.849663 0.702257 0.687846 O\n0.150337 0.297743 0.312154 O\n0.650337 0.797743 0.187846 O\n0.349663 0.202257 0.812154 O\n","nsites":104,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.611274611451126,"density_atomic":0.09102715542131953,"volume":1142.5162031993157,"volume_molar":6.615762881006771,"formula_full":"H28 C16 N36 O24","formula_reduced":"H7C4(N3O2)3","formula_anonymous":"A4B6C7D9","energy":-712.24311436,"energy_per_atom":-6.848491484230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-682.75911436,"band_gap":2.2857,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001456,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.687000Z","spacegroup":14},{"id":"mp-18012","created_at":"2022-09-04T14:40:10.317779Z","structure_string":"Na4 Co7 P6 O24\n1.0\n7.282687 5.310166 0.000000\n-7.282687 5.310166 0.000000\n0.000000 1.789038 6.290800\nNa Co P O\n4 7 6 24\ndirect\n0.059433 0.059433 0.479868 Na\n0.676022 0.676022 0.557844 Na\n0.520434 0.291127 0.510865 Na\n0.291127 0.520434 0.510865 Na\n0.996622 0.639505 0.817671 Co\n0.639505 0.996622 0.817671 Co\n0.356890 0.984441 0.184274 Co\n0.984441 0.356890 0.184274 Co\n0.652392 0.337418 0.997947 Co\n0.337418 0.652392 0.997947 Co\n0.994988 0.994988 0.003595 Co\n0.320551 0.320551 0.943419 P\n0.666733 0.666733 0.077405 P\n0.080209 0.714473 0.289722 P\n0.714473 0.080209 0.289722 P\n0.278006 0.903458 0.711378 P\n0.903458 0.278006 0.711378 P\n0.441663 0.441663 0.749460 O\n0.547849 0.547849 0.272888 O\n0.194893 0.194893 0.874152 O\n0.794827 0.794827 0.139597 O\n0.747498 0.575923 0.928163 O\n0.575923 0.747498 0.928163 O\n0.413539 0.237773 0.084576 O\n0.237773 0.413539 0.084576 O\n0.342432 0.016168 0.489859 O\n0.016168 0.342432 0.489859 O\n0.972142 0.649844 0.513019 O\n0.649844 0.972142 0.513019 O\n0.387374 0.966364 0.863741 O\n0.966364 0.387374 0.863741 O\n0.016268 0.606901 0.136264 O\n0.606901 0.016268 0.136264 O\n0.097963 0.888206 0.783720 O\n0.260010 0.719801 0.270620 O\n0.719801 0.260010 0.270620 O\n0.267791 0.723631 0.725574 O\n0.723631 0.267791 0.725574 O\n0.896923 0.104215 0.220042 O\n0.104215 0.896923 0.220042 O\n0.888206 0.097963 0.783720 O\n","nsites":41,"nelements":4,"elements":["Na","Co","P","O"],"chemical_system":"Co-Na-O-P","density":3.666460291495106,"density_atomic":0.08426519697064999,"volume":486.55911899524205,"volume_molar":7.146652445490091,"formula_full":"Na4 Co7 P6 O24","formula_reduced":"Na4Co7(PO4)6","formula_anonymous":"A4B6C7D24","energy":-299.26298025,"energy_per_atom":-7.299097079268293,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.30898025,"band_gap":2.1229,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.0012735,"is_theoretical":false,"updated_at":"2021-11-28T01:34:50.498000Z","spacegroup":8},{"id":"mp-560035","created_at":"2022-09-04T14:47:29.252555Z","structure_string":"Tl4 Ni7 P6 O24\n1.0\n7.228515 5.424203 0.000000\n-7.228515 5.424203 0.000000\n0.000000 1.571158 6.597808\nTl Ni P O\n4 7 6 24\ndirect\n0.302060 0.302060 0.495380 Tl\n0.735521 0.506439 0.466885 Tl\n0.918145 0.918145 0.520707 Tl\n0.506439 0.735521 0.466885 Tl\n0.999331 0.999331 0.000317 Ni\n0.362502 0.983120 0.174424 Ni\n0.030389 0.637886 0.814619 Ni\n0.382329 0.622803 0.990409 Ni\n0.983120 0.362502 0.174424 Ni\n0.637886 0.030389 0.814619 Ni\n0.622803 0.382329 0.990409 Ni\n0.304632 0.304632 0.988656 P\n0.116496 0.715817 0.266743 P\n0.715817 0.116496 0.266743 P\n0.284251 0.898993 0.727021 P\n0.700376 0.700376 0.991129 P\n0.898993 0.284251 0.727021 P\n0.989332 0.397865 0.853750 O\n0.190321 0.190321 0.895921 O\n0.661615 0.045330 0.492278 O\n0.398567 0.220536 0.120465 O\n0.023786 0.603124 0.139602 O\n0.435613 0.435613 0.830261 O\n0.277965 0.718244 0.773267 O\n0.220536 0.398567 0.120465 O\n0.891306 0.119851 0.198841 O\n0.609130 0.789824 0.861560 O\n0.333353 0.969140 0.500866 O\n0.728563 0.296759 0.214925 O\n0.789824 0.609130 0.861560 O\n0.563540 0.563540 0.136279 O\n0.806538 0.806538 0.102616 O\n0.045330 0.661615 0.492278 O\n0.397865 0.989332 0.853750 O\n0.296759 0.728563 0.214925 O\n0.603124 0.023786 0.139602 O\n0.885875 0.107435 0.799814 O\n0.969140 0.333353 0.500866 O\n0.119851 0.891306 0.198841 O\n0.718244 0.277965 0.773267 O\n0.107435 0.885875 0.799814 O\n","nsites":41,"nelements":4,"elements":["Tl","Ni","P","O"],"chemical_system":"Ni-O-P-Tl","density":5.771332092456188,"density_atomic":0.079244506789479,"volume":517.3860203196244,"volume_molar":7.5994425405390205,"formula_full":"Tl4 Ni7 P6 O24","formula_reduced":"Tl4Ni7(PO4)6","formula_anonymous":"A4B6C7D24","energy":-285.16174795,"energy_per_atom":-6.955164584146342,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-250.88674795000003,"band_gap":2.732,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9998622,"is_theoretical":false,"updated_at":"2021-11-28T01:38:08.976000Z","spacegroup":8},{"id":"mp-729046","created_at":"2022-09-04T14:40:40.609145Z","structure_string":"Mn7 P6 H4 O24\n1.0\n6.643336 0.000000 0.000000\n-1.600947 7.988117 0.000000\n-3.240216 -3.185905 8.871069\nMn P H O\n7 6 4 24\ndirect\n0.000000 0.000000 0.000000 Mn\n0.039777 0.717785 0.511767 Mn\n0.960223 0.282215 0.488233 Mn\n0.287288 0.814771 0.285185 Mn\n0.712712 0.185229 0.714815 Mn\n0.380601 0.454958 0.105480 Mn\n0.619399 0.545042 0.894520 Mn\n0.227271 0.144541 0.781925 P\n0.772729 0.855459 0.218075 P\n0.591653 0.771187 0.614682 P\n0.408347 0.228813 0.385318 P\n0.083175 0.582515 0.821824 P\n0.916825 0.417485 0.178176 P\n0.582379 0.503359 0.402269 H\n0.417621 0.496641 0.597731 H\n0.179959 0.876024 0.807658 H\n0.820041 0.123976 0.192342 H\n0.298056 0.543107 0.908857 O\n0.701944 0.456893 0.091143 O\n0.123833 0.535698 0.168286 O\n0.876167 0.464302 0.831714 O\n0.021037 0.169648 0.670573 O\n0.978963 0.830352 0.329427 O\n0.553823 0.754249 0.221562 O\n0.446177 0.245751 0.778438 O\n0.102486 0.782083 0.892570 O\n0.897514 0.217917 0.107430 O\n0.487741 0.382588 0.321348 O\n0.512259 0.617412 0.678652 O\n0.719635 0.703515 0.521249 O\n0.280365 0.296485 0.478751 O\n0.274542 0.061728 0.243735 O\n0.725458 0.938272 0.756265 O\n0.618665 0.199774 0.489623 O\n0.381335 0.800226 0.510377 O\n0.052562 0.544172 0.654628 O\n0.947438 0.455828 0.345372 O\n0.221232 0.186637 0.941700 O\n0.778768 0.813363 0.058300 O\n0.788361 0.061102 0.268373 O\n0.211639 0.938898 0.731627 O\n","nsites":41,"nelements":4,"elements":["Mn","P","H","O"],"chemical_system":"H-Mn-O-P","density":3.3806577284600947,"density_atomic":0.08709179946710795,"volume":470.7676296834872,"volume_molar":6.914704710257352,"formula_full":"Mn7 P6 H4 O24","formula_reduced":"Mn7P6(HO6)4","formula_anonymous":"A4B6C7D24","energy":-326.64062429,"energy_per_atom":-7.966844494878049,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-298.47662429,"band_gap":2.7854,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":35.0034876,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.107000Z","spacegroup":2},{"id":"mp-1176893","created_at":"2022-09-04T14:41:35.942868Z","structure_string":"Li7 V4 P6 O24\n1.0\n8.726767 0.000000 0.000000\n4.271943 7.642050 0.000000\n4.278086 2.478204 7.231643\nLi V P O\n7 4 6 24\ndirect\n0.230838 0.709422 0.884782 Li\n0.285739 0.115407 0.770774 Li\n0.114589 0.767760 0.285956 Li\n0.498302 0.499165 0.493908 Li\n0.883736 0.231407 0.707994 Li\n0.709292 0.883921 0.228657 Li\n0.767656 0.286124 0.114446 Li\n0.642514 0.641314 0.641439 V\n0.356436 0.356863 0.358284 V\n0.853031 0.852301 0.853776 V\n0.146354 0.147042 0.145750 V\n0.042171 0.453633 0.751923 P\n0.545107 0.248649 0.953948 P\n0.249794 0.954570 0.545492 P\n0.751444 0.043426 0.454079 P\n0.454558 0.751584 0.043853 P\n0.954999 0.546111 0.248434 P\n0.478376 0.688726 0.893432 O\n0.628744 0.778351 0.013348 O\n0.032674 0.280655 0.932447 O\n0.891764 0.477082 0.688560 O\n0.007738 0.625267 0.784618 O\n0.692436 0.893110 0.471743 O\n0.065123 0.960591 0.717310 O\n0.369845 0.223063 0.984899 O\n0.242332 0.399780 0.615215 O\n0.717675 0.065819 0.962153 O\n0.602288 0.384596 0.754506 O\n0.230654 0.987981 0.367281 O\n0.386129 0.753962 0.603130 O\n0.616393 0.242970 0.395547 O\n0.771806 0.010925 0.631552 O\n0.281765 0.934470 0.033381 O\n0.397359 0.616815 0.242908 O\n0.753606 0.599908 0.386658 O\n0.936854 0.034141 0.282686 O\n0.308369 0.102393 0.531515 O\n0.989366 0.373044 0.217998 O\n0.102466 0.525350 0.311930 O\n0.962618 0.719331 0.068034 O\n0.524203 0.310247 0.102829 O\n","nsites":41,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.8308469554686493,"density_atomic":0.085012663426861,"volume":482.28109021985364,"volume_molar":7.08381612485419,"formula_full":"Li7 V4 P6 O24","formula_reduced":"Li7V4(PO4)6","formula_anonymous":"A4B6C7D24","energy":-310.27987939,"energy_per_atom":-7.567801936341464,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.99187939,"band_gap":0.0415999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0021901,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.073000Z","spacegroup":1},{"id":"mp-1197123","created_at":"2022-09-04T14:43:19.676690Z","structure_string":"Mg7 P6 H4 O24\n1.0\n6.154868 0.000242 -2.056801\n-2.283792 7.310351 -1.970238\n0.005707 0.013507 9.536790\nMg P H O\n7 6 4 24\ndirect\n0.382782 0.455043 0.108237 Mg\n0.617218 0.544957 0.891763 Mg\n0.000000 0.000000 0.000000 Mg\n0.054941 0.710331 0.514538 Mg\n0.945059 0.289669 0.485462 Mg\n0.277604 0.806210 0.285426 Mg\n0.722396 0.193790 0.714574 Mg\n0.773145 0.851618 0.224174 P\n0.226855 0.148383 0.775826 P\n0.911151 0.417550 0.172852 P\n0.088849 0.582450 0.827148 P\n0.589362 0.769239 0.629892 P\n0.410638 0.230761 0.370108 P\n0.822759 0.124914 0.196422 H\n0.177241 0.875086 0.803578 H\n0.635441 0.588343 0.438713 H\n0.364559 0.411657 0.561287 H\n0.980128 0.819768 0.336909 O\n0.019872 0.180232 0.663091 O\n0.779967 0.813496 0.058052 O\n0.220033 0.186504 0.941948 O\n0.547939 0.752371 0.229595 O\n0.452061 0.247629 0.770405 O\n0.798688 0.065106 0.281292 O\n0.201312 0.934894 0.718708 O\n0.694307 0.460422 0.085976 O\n0.305693 0.539578 0.914024 O\n0.939664 0.453707 0.346794 O\n0.060336 0.546293 0.653206 O\n0.892723 0.212513 0.100109 O\n0.107277 0.787487 0.899891 O\n0.123764 0.537585 0.163948 O\n0.876236 0.462415 0.836052 O\n0.378614 0.787391 0.508064 O\n0.621386 0.212609 0.491936 O\n0.526704 0.616887 0.694079 O\n0.473296 0.383113 0.305921 O\n0.732713 0.952612 0.760176 O\n0.267287 0.047387 0.239824 O\n0.734128 0.707627 0.526871 O\n0.265872 0.292373 0.473129 O\n","nsites":41,"nelements":4,"elements":["Mg","P","H","O"],"chemical_system":"H-Mg-O-P","density":2.8769865434635173,"density_atomic":0.09547784599013524,"volume":429.41898798425046,"volume_molar":6.307369733311964,"formula_full":"Mg7 P6 H4 O24","formula_reduced":"Mg7P6(HO6)4","formula_anonymous":"A4B6C7D24","energy":-289.32629977,"energy_per_atom":-7.056739018780488,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-272.83829977,"band_gap":5.1294,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004857,"is_theoretical":false,"updated_at":"2021-11-28T01:36:12.548000Z","spacegroup":2},{"id":"mp-849248","created_at":"2022-09-04T14:45:17.330502Z","structure_string":"Li4 Mn7 P6 O24\n1.0\n7.239983 5.452738 0.000000\n-7.239983 5.452738 0.000000\n0.000000 1.837424 6.402685\nLi Mn P O\n4 7 6 24\ndirect\n0.991323 0.991323 0.490013 Li\n0.631090 0.631090 0.576654 Li\n0.548721 0.317468 0.496822 Li\n0.317468 0.548721 0.496822 Li\n0.357717 0.001649 0.192779 Mn\n0.001649 0.357717 0.192779 Mn\n0.996561 0.996561 0.997979 Mn\n0.665375 0.333851 0.005042 Mn\n0.333851 0.665375 0.005042 Mn\n0.997281 0.637519 0.814014 Mn\n0.637519 0.997281 0.814014 Mn\n0.281421 0.906874 0.703751 P\n0.906874 0.281421 0.703751 P\n0.669907 0.669907 0.085630 P\n0.324778 0.324778 0.914504 P\n0.710982 0.076783 0.304713 P\n0.076783 0.710982 0.304713 P\n0.649326 0.955262 0.513401 O\n0.955262 0.649326 0.513401 O\n0.950550 0.374958 0.876462 O\n0.374958 0.950550 0.876462 O\n0.797644 0.797644 0.135163 O\n0.746021 0.576404 0.940188 O\n0.576404 0.746021 0.940188 O\n0.895860 0.102476 0.757847 O\n0.102476 0.895860 0.757847 O\n0.274425 0.729592 0.710168 O\n0.729592 0.274425 0.710168 O\n0.557451 0.557451 0.287951 O\n0.435630 0.435630 0.707223 O\n0.701984 0.248351 0.307061 O\n0.248351 0.701984 0.307061 O\n0.893636 0.102708 0.239412 O\n0.102708 0.893636 0.239412 O\n0.194945 0.194945 0.874158 O\n0.615764 0.026594 0.137741 O\n0.026594 0.615764 0.137741 O\n0.249586 0.423921 0.048962 O\n0.423921 0.249586 0.048962 O\n0.028078 0.360601 0.497402 O\n0.360601 0.028078 0.497402 O\n","nsites":41,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.2261634200257236,"density_atomic":0.08110349095947385,"volume":505.5269448325851,"volume_molar":7.42525468232825,"formula_full":"Li4 Mn7 P6 O24","formula_reduced":"Li4Mn7(PO4)6","formula_anonymous":"A4B6C7D24","energy":-326.81469611,"energy_per_atom":-7.97109014902439,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-298.65069611,"band_gap":2.6112,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":35.0242637,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.949000Z","spacegroup":8},{"id":"mp-24474","created_at":"2022-09-04T14:43:55.648299Z","structure_string":"Fe7 P6 H4 O24\n1.0\n6.675374 0.000000 0.000000\n-1.633987 7.941227 0.000000\n-3.113720 -2.910294 8.583197\nFe P H O\n7 6 4 24\ndirect\n0.055778 0.709675 0.516370 Fe\n0.944222 0.290325 0.483630 Fe\n0.268592 0.803916 0.280489 Fe\n0.731408 0.196084 0.719511 Fe\n0.613539 0.546022 0.886779 Fe\n0.386461 0.453978 0.113221 Fe\n0.000000 0.000000 0.000000 Fe\n0.593204 0.779199 0.633183 P\n0.406796 0.220801 0.366817 P\n0.912199 0.415164 0.170980 P\n0.087801 0.584836 0.829020 P\n0.777881 0.854345 0.226453 P\n0.222119 0.145655 0.773547 P\n0.660824 0.734203 0.420715 H\n0.177604 0.879354 0.805411 H\n0.822396 0.120646 0.194589 H\n0.339176 0.265797 0.579285 H\n0.740520 0.738759 0.531700 O\n0.259480 0.261241 0.468300 O\n0.550071 0.632654 0.701046 O\n0.449929 0.367346 0.298954 O\n0.382293 0.792035 0.511459 O\n0.617707 0.207965 0.488541 O\n0.880289 0.462873 0.834879 O\n0.119711 0.537127 0.165121 O\n0.897902 0.215685 0.104078 O\n0.014421 0.169835 0.659490 O\n0.985579 0.830165 0.340510 O\n0.225117 0.188008 0.939753 O\n0.774883 0.811992 0.060247 O\n0.569040 0.752714 0.245673 O\n0.430960 0.247286 0.754327 O\n0.789639 0.059256 0.274998 O\n0.210361 0.940744 0.725002 O\n0.273807 0.038728 0.235512 O\n0.726193 0.961272 0.764488 O\n0.302571 0.549068 0.922434 O\n0.697429 0.450932 0.077566 O\n0.063535 0.545535 0.656421 O\n0.936465 0.454465 0.343579 O\n0.102098 0.784315 0.895922 O\n","nsites":41,"nelements":4,"elements":["Fe","P","H","O"],"chemical_system":"Fe-H-O-P","density":3.520973968000724,"density_atomic":0.09010970395444218,"volume":455.00093997344453,"volume_molar":6.68312123524974,"formula_full":"Fe7 P6 H4 O24","formula_reduced":"Fe7P6(HO6)4","formula_anonymous":"A4B6C7D24","energy":-307.91092741,"energy_per_atom":-7.510022619756097,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-275.63092741,"band_gap":3.1224,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0035864,"is_theoretical":false,"updated_at":"2021-11-28T01:36:19.295000Z","spacegroup":2},{"id":"mp-19470","created_at":"2022-09-04T14:43:08.462506Z","structure_string":"Na4 Ni7 P6 O24\n1.0\n7.066375 5.358621 0.000000\n-7.066375 5.358621 0.000000\n0.000000 1.662151 6.280672\nNa Ni P O\n4 7 6 24\ndirect\n0.929578 0.929578 0.522023 Na\n0.277139 0.277139 0.463249 Na\n0.736777 0.487459 0.460838 Na\n0.487459 0.736777 0.460838 Na\n0.358135 0.983444 0.182033 Ni\n0.983444 0.358135 0.182033 Ni\n0.023939 0.636950 0.817855 Ni\n0.636950 0.023939 0.817855 Ni\n0.375256 0.627104 0.998689 Ni\n0.627104 0.375256 0.998689 Ni\n0.000816 0.000816 0.000423 Ni\n0.691545 0.691545 0.035633 P\n0.314338 0.314338 0.957785 P\n0.282938 0.906066 0.719923 P\n0.906066 0.282938 0.719923 P\n0.099679 0.715504 0.282875 P\n0.715504 0.099679 0.282875 P\n0.556209 0.556209 0.203016 O\n0.452862 0.452862 0.802847 O\n0.800593 0.800593 0.145929 O\n0.204466 0.204466 0.849771 O\n0.223821 0.400106 0.107770 O\n0.400106 0.223821 0.107770 O\n0.601665 0.781140 0.893041 O\n0.781140 0.601665 0.893041 O\n0.999469 0.660301 0.510113 O\n0.660301 0.999469 0.510113 O\n0.338446 0.000761 0.491116 O\n0.000761 0.338446 0.491116 O\n0.017768 0.603832 0.143534 O\n0.603832 0.017768 0.143534 O\n0.392520 0.986135 0.861690 O\n0.986135 0.392520 0.861690 O\n0.111963 0.897499 0.212694 O\n0.724820 0.284384 0.748997 O\n0.284384 0.724820 0.748997 O\n0.720240 0.281751 0.251609 O\n0.281751 0.720240 0.251609 O\n0.886766 0.099517 0.790186 O\n0.099517 0.886766 0.790186 O\n0.897499 0.111963 0.212694 O\n","nsites":41,"nelements":4,"elements":["Na","Ni","P","O"],"chemical_system":"Na-Ni-O-P","density":3.744705587030573,"density_atomic":0.08619816584701687,"volume":475.6481718273002,"volume_molar":6.986390836538215,"formula_full":"Na4 Ni7 P6 O24","formula_reduced":"Na4Ni7(PO4)6","formula_anonymous":"A4B6C7D24","energy":-288.74253984,"energy_per_atom":-7.042500971707317,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-254.46753984,"band_gap":3.3517,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0001726,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.477000Z","spacegroup":8}]}