{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=87","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=85","results":[{"id":"mp-752670","created_at":"2022-09-04T14:42:39.097320Z","structure_string":"Li6 Fe2 S6\n1.0\n5.684649 3.529190 0.000000\n-5.684649 3.529190 0.000000\n0.000000 1.350873 6.168994\nLi Fe S\n6 2 6\ndirect\n0.584577 0.584577 0.657764 Li\n0.174425 0.825575 0.500000 Li\n0.825575 0.174425 0.500000 Li\n0.749323 0.250677 0.000000 Li\n0.250677 0.749323 0.000000 Li\n0.415423 0.415423 0.342236 Li\n0.824957 0.824957 0.135274 Fe\n0.175043 0.175043 0.864726 Fe\n0.883076 0.883076 0.769262 S\n0.831875 0.508995 0.262093 S\n0.508995 0.831875 0.262093 S\n0.168125 0.491005 0.737907 S\n0.491005 0.168125 0.737907 S\n0.116924 0.116924 0.230738 S\n","nsites":14,"nelements":3,"elements":["Li","Fe","S"],"chemical_system":"Fe-Li-S","density":2.3193062655098307,"density_atomic":0.05655942660311245,"volume":247.52726186989992,"volume_molar":10.64745723512799,"formula_full":"Li6 Fe2 S6","formula_reduced":"Li3FeS3","formula_anonymous":"AB3C3","energy":-68.51257495,"energy_per_atom":-4.893755353571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.49457495,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0002371,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.678000Z","spacegroup":12},{"id":"mp-1236914","created_at":"2022-09-04T14:42:39.067522Z","structure_string":"Cr6 P4 O16\n1.0\n10.622299 0.000000 0.000000\n0.000000 4.726289 0.000000\n0.000000 4.549856 6.473190\nCr P O\n6 4 16\ndirect\n0.364874 0.181034 0.924890 Cr\n0.135126 0.181034 0.424890 Cr\n0.635126 0.818966 0.075110 Cr\n0.864874 0.818966 0.575110 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.178595 0.629657 0.922268 P\n0.321405 0.629657 0.422268 P\n0.821405 0.370343 0.077732 P\n0.678595 0.370343 0.577732 P\n0.166800 0.287890 0.938008 O\n0.333200 0.287890 0.438008 O\n0.833200 0.712110 0.061992 O\n0.666800 0.712110 0.561992 O\n0.111100 0.570953 0.116919 O\n0.388900 0.570953 0.616919 O\n0.888900 0.429047 0.883081 O\n0.611100 0.429047 0.383081 O\n0.103997 0.924189 0.733007 O\n0.396003 0.924189 0.233007 O\n0.896003 0.075811 0.266993 O\n0.603997 0.075811 0.766993 O\n0.319366 0.715019 0.921900 O\n0.180634 0.715019 0.421900 O\n0.680634 0.284981 0.078100 O\n0.819366 0.284981 0.578100 O\n","nsites":26,"nelements":3,"elements":["Cr","P","O"],"chemical_system":"Cr-O-P","density":3.53517937692477,"density_atomic":0.08000482828958805,"volume":324.9803862573089,"volume_molar":7.527221654925708,"formula_full":"Cr6 P4 O16","formula_reduced":"Cr3(PO4)2","formula_anonymous":"A2B3C8","energy":-220.59976284,"energy_per_atom":-8.484606263076923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.61376284,"band_gap":1.1944000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0003371,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.121000Z","spacegroup":14},{"id":"mp-752499","created_at":"2022-09-04T14:42:39.120824Z","structure_string":"Li4 V2 F8\n1.0\n3.131415 0.000000 0.000000\n0.000000 5.032461 0.000000\n0.000000 0.000000 10.023024\nLi V F\n4 2 8\ndirect\n0.500000 0.976173 0.291523 Li\n0.500000 0.523827 0.791523 Li\n0.500000 0.476173 0.208477 Li\n0.500000 0.023827 0.708477 Li\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.745086 0.832800 F\n0.000000 0.245086 0.667200 F\n0.500000 0.794695 0.099944 F\n0.500000 0.294695 0.400056 F\n0.500000 0.705305 0.599944 F\n0.500000 0.205305 0.900056 F\n0.000000 0.754914 0.332800 F\n0.000000 0.254914 0.167200 F\n","nsites":14,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":2.960838457100627,"density_atomic":0.08863560632319786,"volume":157.95006748135592,"volume_molar":6.7942681387444575,"formula_full":"Li4 V2 F8","formula_reduced":"Li2VF4","formula_anonymous":"AB2C4","energy":-83.9576351,"energy_per_atom":-5.996973935714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.8616351,"band_gap":2.7764999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0017555,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.890000Z","spacegroup":55},{"id":"mp-2856","created_at":"2022-09-04T14:42:39.249891Z","structure_string":"Mn4 Al11\n1.0\n5.026305 0.000000 0.000000\n-0.912258 4.963417 0.000000\n-0.012702 -2.356028 8.451363\nMn Al\n4 11\ndirect\n0.285827 0.149717 0.598618 Mn\n0.714173 0.850283 0.401382 Mn\n0.664607 0.610986 0.866796 Mn\n0.335393 0.389014 0.133204 Mn\n0.000000 0.000000 0.000000 Al\n0.948751 0.819413 0.675115 Al\n0.051249 0.180587 0.324885 Al\n0.800897 0.269584 0.632497 Al\n0.844793 0.531145 0.126747 Al\n0.155207 0.468855 0.873253 Al\n0.493457 0.892370 0.125154 Al\n0.506543 0.107630 0.874846 Al\n0.566953 0.328339 0.373932 Al\n0.433047 0.671661 0.626068 Al\n0.199103 0.730416 0.367503 Al\n","nsites":15,"nelements":2,"elements":["Mn","Al"],"chemical_system":"Al-Mn","density":4.06821926930921,"density_atomic":0.07114344659380194,"volume":210.8416265751568,"volume_molar":8.464786355353006,"formula_full":"Mn4 Al11","formula_reduced":"Mn4Al11","formula_anonymous":"A4B11","energy":-82.0042583,"energy_per_atom":-5.466950553333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.0042583,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0030549,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.569000Z","spacegroup":2},{"id":"mp-1176921","created_at":"2022-09-04T14:42:39.291131Z","structure_string":"Li12 V6 P16 O58\n1.0\n9.786851 0.000000 0.000000\n-4.856930 8.506013 0.000000\n-0.045581 -0.101804 13.985054\nLi V P O\n12 6 16 58\ndirect\n0.663147 0.898096 0.944661 Li\n0.663364 0.763416 0.434786 Li\n0.239991 0.902747 0.436687 Li\n0.096176 0.764989 0.944198 Li\n0.230732 0.332517 0.944342 Li\n0.903327 0.666950 0.556404 Li\n0.103222 0.339728 0.435046 Li\n0.670127 0.340985 0.891136 Li\n0.765445 0.099157 0.556605 Li\n0.326599 0.095274 0.065514 Li\n0.961064 0.985301 0.013984 Li\n0.042016 0.030415 0.495068 Li\n0.002472 0.563758 0.751764 V\n0.996967 0.433944 0.245003 V\n0.562905 0.561048 0.249153 V\n0.435897 0.435729 0.747322 V\n0.566459 0.999577 0.747664 V\n0.436128 0.000057 0.251593 V\n0.685073 0.907763 0.159051 P\n0.686007 0.769814 0.655013 P\n0.224954 0.912526 0.656922 P\n0.337358 0.667766 0.870883 P\n0.330947 0.665937 0.370334 P\n0.088268 0.775748 0.157702 P\n0.914622 0.688704 0.341045 P\n0.224605 0.312181 0.156427 P\n0.779568 0.692615 0.841716 P\n0.084175 0.310380 0.655874 P\n0.910677 0.220654 0.840698 P\n0.670104 0.336083 0.630113 P\n0.663941 0.331314 0.130418 P\n0.776739 0.088405 0.341617 P\n0.307202 0.223345 0.340864 P\n0.315191 0.090531 0.842246 P\n0.775922 0.999546 0.430677 O\n0.668750 0.919266 0.659026 O\n0.788838 0.798348 0.922114 O\n0.653331 0.738465 0.167054 O\n0.532345 0.914122 0.171062 O\n0.487294 0.813993 0.830807 O\n0.383747 0.914770 0.673589 O\n0.231822 0.997473 0.929916 O\n0.257647 0.920702 0.163574 O\n0.485514 0.673960 0.332315 O\n0.526887 0.620930 0.669505 O\n0.322568 0.812116 0.329536 O\n0.335159 0.663203 0.977231 O\n0.327905 0.668680 0.477252 O\n0.187688 0.671038 0.830241 O\n0.376822 0.468808 0.170945 O\n0.333532 0.516760 0.827348 O\n0.084154 0.744346 0.662333 O\n0.999260 0.796837 0.248947 O\n0.003712 0.780934 0.429945 O\n0.012253 0.787355 0.066990 O\n0.094025 0.623179 0.169985 O\n0.185428 0.512785 0.328530 O\n0.922021 0.663722 0.843401 O\n0.080481 0.465005 0.671026 O\n0.250995 0.339189 0.662232 O\n0.799252 0.786441 0.743014 O\n0.768932 0.768302 0.564398 O\n0.199684 0.207701 0.421798 O\n0.746587 0.663819 0.341813 O\n0.916378 0.534194 0.329870 O\n0.082169 0.335554 0.161054 O\n0.816763 0.489344 0.672099 O\n0.896201 0.371375 0.831401 O\n0.004994 0.214816 0.922927 O\n0.000533 0.226217 0.564411 O\n0.984332 0.197799 0.743005 O\n0.919196 0.254699 0.341834 O\n0.669031 0.479434 0.175223 O\n0.627742 0.530260 0.834402 O\n0.810836 0.327614 0.173335 O\n0.661571 0.329034 0.023241 O\n0.671133 0.339510 0.524101 O\n0.676970 0.188053 0.668275 O\n0.458695 0.382932 0.333996 O\n0.524350 0.335318 0.679335 O\n0.739215 0.078665 0.840923 O\n0.797101 0.001344 0.249484 O\n0.771780 0.982829 0.068551 O\n0.621060 0.090517 0.329374 O\n0.510919 0.185046 0.167972 O\n0.480182 0.108054 0.827514 O\n0.332935 0.255537 0.843617 O\n0.224004 0.225205 0.065767 O\n0.209266 0.197081 0.243029 O\n0.342780 0.085609 0.342634 O\n0.219477 0.988592 0.565625 O\n0.208761 0.003672 0.748701 O\n","nsites":92,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.5851793956748956,"density_atomic":0.07902320890201282,"volume":1164.214934805775,"volume_molar":7.62072414379848,"formula_full":"Li12 V6 P16 O58","formula_reduced":"Li6V3P8O29","formula_anonymous":"A3B6C8D29","energy":-693.35906078,"energy_per_atom":-7.536511530217392,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-643.31306078,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8609061,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.740000Z","spacegroup":1},{"id":"mp-559505","created_at":"2022-09-04T14:42:39.428217Z","structure_string":"V4 Te4 O16\n1.0\n4.599526 0.033126 0.000036\n-0.130456 5.484809 -0.000015\n0.000107 -0.000034 13.684430\nV Te O\n4 4 16\ndirect\n0.320919 0.833759 0.660708 V\n0.679065 0.166225 0.339292 V\n0.679092 0.666232 0.160713 V\n0.320857 0.333724 0.839290 V\n0.038328 0.643142 0.389968 Te\n0.038337 0.143128 0.110034 Te\n0.961684 0.856869 0.889966 Te\n0.961696 0.356842 0.610029 Te\n0.168064 0.632666 0.547972 O\n0.753945 0.874578 0.417817 O\n0.680787 0.818909 0.665818 O\n0.186724 0.016950 0.776839 O\n0.813273 0.983049 0.223160 O\n0.831951 0.367326 0.452023 O\n0.186717 0.516950 0.723159 O\n0.813277 0.483055 0.276840 O\n0.246069 0.625439 0.917820 O\n0.753951 0.374578 0.082188 O\n0.319218 0.181120 0.334180 O\n0.319230 0.681137 0.165821 O\n0.168061 0.132683 0.952025 O\n0.680718 0.318894 0.834182 O\n0.831945 0.867318 0.047980 O\n0.246091 0.125429 0.582175 O\n","nsites":24,"nelements":3,"elements":["V","Te","O"],"chemical_system":"O-Te-V","density":4.665682298751311,"density_atomic":0.06950812191740786,"volume":345.2833904578474,"volume_molar":8.663938247613325,"formula_full":"V4 Te4 O16","formula_reduced":"VTeO4","formula_anonymous":"ABC4","energy":-175.6246779,"energy_per_atom":-7.3176949124999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.8326779,"band_gap":2.171,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.954593,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.077000Z","spacegroup":14},{"id":"mp-1233080","created_at":"2022-09-04T14:42:39.668849Z","structure_string":"Mg1 Fe6 Sb10 I6 O18\n1.0\n-7.705177 -0.017179 -2.539114\n0.485048 -0.118145 -9.406177\n-0.211737 -12.173142 -2.909334\nMg Fe Sb I O\n1 6 10 6 18\ndirect\n0.895421 0.582515 0.757982 Mg\n0.720808 0.962822 0.348177 Fe\n0.299257 0.004996 0.644371 Fe\n0.024117 0.959192 0.124761 Fe\n0.978674 0.065027 0.864200 Fe\n0.622715 0.086254 0.061719 Fe\n0.392941 0.933068 0.944870 Fe\n0.884804 0.125073 0.518933 Sb\n0.118272 0.786337 0.506392 Sb\n0.256270 0.138331 0.262330 Sb\n0.729493 0.894295 0.718918 Sb\n0.529231 0.238482 0.757943 Sb\n0.456776 0.790690 0.242983 Sb\n0.207825 0.267295 0.987779 Sb\n0.796558 0.750283 0.010464 Sb\n0.816843 0.287418 0.213230 Sb\n0.202667 0.697382 0.808518 Sb\n0.710244 0.416711 0.928672 I\n0.265474 0.664963 0.067133 I\n0.882174 0.672874 0.306919 I\n0.086229 0.317964 0.679400 I\n0.509005 0.254526 0.423981 I\n0.499362 0.722027 0.581598 I\n0.153126 0.071057 0.978541 O\n0.859711 0.945836 0.011173 O\n0.868017 0.926111 0.478283 O\n0.137688 0.987011 0.537709 O\n0.788537 0.090758 0.188550 O\n0.180960 0.916121 0.793194 O\n0.445901 0.157789 0.912544 O\n0.549427 0.874058 0.091811 O\n0.764362 0.129087 0.785853 O\n0.215728 0.943486 0.226997 O\n0.490881 0.052950 0.706062 O\n0.495899 0.958610 0.300786 O\n0.054877 0.249694 0.140019 O\n0.961518 0.696358 0.865637 O\n0.070344 0.697056 0.666146 O\n0.947374 0.183824 0.349752 O\n0.633856 0.849523 0.886856 O\n0.379449 0.195003 0.110480 O\n","nsites":41,"nelements":5,"elements":["Mg","Fe","Sb","I","O"],"chemical_system":"Fe-I-Mg-O-Sb","density":4.8749863074920174,"density_atomic":0.04582988575837941,"volume":894.6127471527392,"volume_molar":13.140204607424597,"formula_full":"Mg1 Fe6 Sb10 I6 O18","formula_reduced":"MgFe6Sb10(IO3)6","formula_anonymous":"AB6C6D10E18","energy":-250.48804183,"energy_per_atom":-6.109464434878048,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-222.31204183,"band_gap":0.7198000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.857000Z","spacegroup":1},{"id":"mp-1202728","created_at":"2022-09-04T14:42:39.676747Z","structure_string":"K4 Zr2 Si6 O22\n1.0\n4.101317 -5.390087 0.000000\n4.101317 5.390087 0.000000\n0.000000 0.000000 12.105968\nK Zr Si O\n4 2 6 22\ndirect\n0.527679 0.125222 0.549912 K\n0.125222 0.527679 0.450088 K\n0.472321 0.874778 0.049912 K\n0.874778 0.472321 0.950088 K\n0.407537 0.592463 0.750000 Zr\n0.592463 0.407537 0.250000 Zr\n0.673221 0.673221 0.500000 Si\n0.326779 0.326779 0.000000 Si\n0.289609 0.065475 0.791125 Si\n0.065475 0.289609 0.208875 Si\n0.710391 0.934525 0.291125 Si\n0.934525 0.710391 0.708875 Si\n0.474791 0.652200 0.578730 O\n0.652200 0.474791 0.421270 O\n0.525209 0.347800 0.078730 O\n0.347800 0.525209 0.921270 O\n0.366457 0.277918 0.723456 O\n0.277918 0.366457 0.276544 O\n0.633543 0.722082 0.223456 O\n0.722082 0.633543 0.776544 O\n0.288974 0.114512 0.925374 O\n0.114512 0.288974 0.074626 O\n0.711026 0.885488 0.425374 O\n0.885488 0.711026 0.574626 O\n0.433841 0.910342 0.774277 O\n0.910342 0.433841 0.225723 O\n0.566159 0.089658 0.274277 O\n0.089658 0.566159 0.725723 O\n0.052968 0.947032 0.750000 O\n0.947032 0.052968 0.250000 O\n0.793274 0.050310 0.902606 O\n0.050310 0.793274 0.097394 O\n0.206726 0.949690 0.402606 O\n0.949690 0.206726 0.597394 O\n","nsites":34,"nelements":4,"elements":["K","Zr","Si","O"],"chemical_system":"K-O-Si-Zr","density":2.666035940864575,"density_atomic":0.06352289559444167,"volume":535.2400844109984,"volume_molar":9.480268025639159,"formula_full":"K4 Zr2 Si6 O22","formula_reduced":"K2ZrSi3O11","formula_anonymous":"AB2C3D11","energy":-251.06159262,"energy_per_atom":-7.384164488823529,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-235.94759262,"band_gap":0.4676,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0005939,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.371000Z","spacegroup":20},{"id":"mp-556229","created_at":"2022-09-04T14:42:39.679368Z","structure_string":"Li4 Mn2 F10\n1.0\n2.527425 5.108281 0.000000\n-2.527425 5.108281 0.000000\n0.000000 2.834923 6.960033\nLi Mn F\n4 2 10\ndirect\n0.628876 0.642962 0.754509 Li\n0.642962 0.628876 0.254509 Li\n0.371124 0.357038 0.245491 Li\n0.357038 0.371124 0.745491 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.215501 0.784499 0.250000 F\n0.784499 0.215501 0.750000 F\n0.776691 0.395921 0.044733 F\n0.604079 0.223309 0.455267 F\n0.223309 0.604079 0.955267 F\n0.395921 0.776691 0.544733 F\n0.328498 0.026997 0.852354 F\n0.973003 0.671502 0.647646 F\n0.671502 0.973003 0.147646 F\n0.026997 0.328498 0.352354 F\n","nsites":16,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.027126827041776,"density_atomic":0.08902779805507763,"volume":179.719147834045,"volume_molar":6.764337534524176,"formula_full":"Li4 Mn2 F10","formula_reduced":"Li2MnF5","formula_anonymous":"AB2C5","energy":-93.04616956,"energy_per_atom":-5.8153855975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.09016956,"band_gap":1.8414,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9988929,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.540000Z","spacegroup":15},{"id":"mp-1174515","created_at":"2022-09-04T14:42:39.301413Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n1.459532 6.378079 0.000000\n-1.459532 6.378079 0.000000\n0.000000 2.757063 11.479961\nLi Mn Co O\n7 2 3 12\ndirect\n0.997878 0.997878 0.255889 Li\n0.666177 0.666177 0.081128 Li\n0.333823 0.333823 0.918872 Li\n0.002122 0.002122 0.744111 Li\n0.658810 0.658810 0.585160 Li\n0.341190 0.341190 0.414840 Li\n0.000000 0.000000 0.500000 Li\n0.340060 0.340060 0.662613 Mn\n0.659940 0.659940 0.337387 Mn\n0.334466 0.334465 0.166663 Co\n0.000000 0.000000 0.000000 Co\n0.665535 0.665535 0.833337 Co\n0.835430 0.835430 0.047510 O\n0.503626 0.503626 0.882975 O\n0.174421 0.174421 0.714356 O\n0.831469 0.831469 0.557417 O\n0.513028 0.513028 0.368588 O\n0.170670 0.170670 0.220234 O\n0.168531 0.168531 0.442583 O\n0.825579 0.825579 0.285644 O\n0.496374 0.496374 0.117025 O\n0.164570 0.164570 0.952490 O\n0.829330 0.829330 0.779766 O\n0.486972 0.486972 0.631412 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.096342598618845,"density_atomic":0.11228902681877408,"volume":213.73415265887172,"volume_molar":5.363071468879391,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy":-158.13976852,"energy_per_atom":-6.589157021666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.64576852,"band_gap":1.1526999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0067424,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.929000Z","spacegroup":12},{"id":"mp-821432","created_at":"2022-09-04T14:42:39.668657Z","structure_string":"Ni2 C8 O12\n1.0\n3.649502 6.716830 0.000000\n-3.649502 6.716830 0.000000\n0.000000 3.937902 6.125036\nNi C O\n2 8 12\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.974538 0.740678 0.065860 C\n0.259322 0.025462 0.434140 C\n0.025462 0.259322 0.934140 C\n0.740678 0.974538 0.565860 C\n0.082081 0.832683 0.843802 C\n0.167317 0.917919 0.656198 C\n0.917919 0.167317 0.156198 C\n0.832683 0.082081 0.343802 C\n0.090387 0.648373 0.195320 O\n0.351627 0.909613 0.304680 O\n0.909613 0.351627 0.804680 O\n0.648373 0.090387 0.695320 O\n0.785518 0.754846 0.117404 O\n0.245154 0.214482 0.382596 O\n0.214482 0.245154 0.882596 O\n0.754846 0.785518 0.617404 O\n0.206881 0.521162 0.524654 O\n0.478838 0.793119 0.975346 O\n0.793119 0.478838 0.475346 O\n0.521162 0.206881 0.024654 O\n","nsites":22,"nelements":3,"elements":["Ni","C","O"],"chemical_system":"C-Ni-O","density":2.242157309427239,"density_atomic":0.0732632325581081,"volume":300.2870502956703,"volume_molar":8.219867660389665,"formula_full":"Ni2 C8 O12","formula_reduced":"Ni(C2O3)2","formula_anonymous":"AB4C6","energy":-153.10903853,"energy_per_atom":-6.959501751363636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.78303853,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9998098,"is_theoretical":false,"updated_at":"2021-11-28T01:35:51.358000Z","spacegroup":15},{"id":"mp-704097","created_at":"2022-09-04T14:42:39.180829Z","structure_string":"Sr24 Co16 Bi8 O60\n1.0\n11.791719 -11.818426 0.000000\n11.791719 11.818426 0.000000\n0.000000 0.000000 5.583196\nSr Co Bi O\n24 16 8 60\ndirect\n0.877623 0.771441 0.251289 Sr\n0.228559 0.122377 0.748711 Sr\n0.388098 0.277769 0.751866 Sr\n0.376632 0.730849 0.750487 Sr\n0.887368 0.224334 0.253490 Sr\n0.611902 0.722231 0.751866 Sr\n0.840252 0.492783 0.759239 Sr\n0.771441 0.877623 0.748711 Sr\n0.277769 0.388098 0.248134 Sr\n0.269151 0.623368 0.249513 Sr\n0.224334 0.887368 0.746510 Sr\n0.122377 0.228559 0.251289 Sr\n0.722231 0.611902 0.248134 Sr\n0.775666 0.112632 0.746510 Sr\n0.339989 0.003804 0.248283 Sr\n0.660011 0.996196 0.248283 Sr\n0.112632 0.775666 0.253490 Sr\n0.730849 0.376632 0.249513 Sr\n0.003804 0.339989 0.751717 Sr\n0.623368 0.269151 0.750487 Sr\n0.996196 0.660011 0.751717 Sr\n0.492783 0.840252 0.240761 Sr\n0.507217 0.159748 0.240761 Sr\n0.159748 0.507217 0.759239 Sr\n0.413186 0.917994 0.747186 Co\n0.684815 0.797365 0.247082 Co\n0.797365 0.684815 0.752918 Co\n0.090453 0.414927 0.260265 Co\n0.414927 0.090453 0.739735 Co\n0.297832 0.815244 0.249070 Co\n0.909547 0.585073 0.260265 Co\n0.586814 0.082006 0.747186 Co\n0.815244 0.297832 0.750930 Co\n0.917994 0.413186 0.252814 Co\n0.702168 0.184756 0.249070 Co\n0.202635 0.315185 0.752918 Co\n0.082006 0.586814 0.252814 Co\n0.585073 0.909547 0.739735 Co\n0.184756 0.702168 0.750930 Co\n0.315185 0.202635 0.247082 Co\n0.117854 0.004952 0.229550 Bi\n0.493903 0.617634 0.269692 Bi\n0.004952 0.117854 0.770450 Bi\n0.617634 0.493903 0.730308 Bi\n0.882146 0.995048 0.229550 Bi\n0.506097 0.382366 0.269692 Bi\n0.995048 0.882146 0.770450 Bi\n0.382366 0.506097 0.730308 Bi\n0.742838 0.742838 0.500000 O\n0.993768 0.870643 0.151138 O\n0.293415 0.596616 0.776029 O\n0.163377 0.505138 0.240052 O\n0.639660 0.129214 0.006499 O\n0.867730 0.364623 0.516202 O\n0.757217 0.242783 0.000000 O\n0.863836 0.633004 0.989153 O\n0.403384 0.706585 0.223971 O\n0.703742 0.592960 0.772772 O\n0.635377 0.132270 0.483798 O\n0.907652 0.203817 0.727576 O\n0.706585 0.403384 0.776029 O\n0.663407 0.996419 0.744563 O\n0.505138 0.163377 0.759948 O\n0.752322 0.247678 0.500000 O\n0.360340 0.870786 0.006499 O\n0.129214 0.639660 0.993501 O\n0.748518 0.748518 0.000000 O\n0.596616 0.293415 0.223971 O\n0.627174 0.862039 0.482332 O\n0.364623 0.867730 0.483798 O\n0.506519 0.370623 0.650503 O\n0.592960 0.703742 0.227228 O\n0.242783 0.757217 0.000000 O\n0.006232 0.129357 0.151138 O\n0.493481 0.629377 0.650503 O\n0.633004 0.863836 0.010847 O\n0.494862 0.836623 0.759948 O\n0.500000 0.000000 0.742431 O\n0.203817 0.907652 0.272424 O\n0.251482 0.251482 0.000000 O\n0.836623 0.494862 0.240052 O\n0.372826 0.137961 0.482332 O\n0.129357 0.006232 0.848862 O\n0.092348 0.796183 0.727576 O\n0.796183 0.092348 0.272424 O\n0.996419 0.663407 0.255437 O\n0.132270 0.635377 0.516202 O\n0.096997 0.206792 0.724871 O\n0.870643 0.993768 0.848862 O\n0.407040 0.296258 0.227228 O\n0.500000 0.000000 0.242717 O\n0.000000 0.500000 0.757283 O\n0.793208 0.903003 0.275129 O\n0.257162 0.257162 0.500000 O\n0.296258 0.407040 0.772772 O\n0.137961 0.372826 0.517668 O\n0.247678 0.752322 0.500000 O\n0.003581 0.336593 0.255437 O\n0.870786 0.360340 0.993501 O\n0.903003 0.793208 0.724871 O\n0.862039 0.627174 0.517668 O\n0.366996 0.136164 0.010847 O\n0.000000 0.500000 0.257569 O\n0.136164 0.366996 0.989153 O\n0.336593 0.003581 0.744563 O\n0.370623 0.506519 0.349497 O\n0.206792 0.096997 0.275129 O\n0.629377 0.493481 0.349497 O\n","nsites":108,"nelements":4,"elements":["Sr","Co","Bi","O"],"chemical_system":"Bi-Co-O-Sr","density":6.05850763688824,"density_atomic":0.06940234168696849,"volume":1556.1434582009053,"volume_molar":8.677143470406508,"formula_full":"Sr24 Co16 Bi8 O60","formula_reduced":"Sr6Co4Bi2O15","formula_anonymous":"A2B4C6D15","energy":-718.39734575,"energy_per_atom":-6.651827275462963,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-650.96934575,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":50.4469524,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.596000Z","spacegroup":21}]}