{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10260","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10258","results":[{"id":"mp-1203489","created_at":"2022-09-04T14:43:18.115985Z","structure_string":"Al39 Rh12\n1.0\n0.000000 -8.330023 0.000000\n-7.462608 4.165011 2.483711\n-0.059606 0.000000 -12.912296\nAl Rh\n39 12\ndirect\n0.070944 0.141888 0.176121 Al\n0.929056 0.858112 0.823879 Al\n0.325663 0.651326 0.285559 Al\n0.674337 0.348674 0.714441 Al\n0.237904 0.475809 0.520234 Al\n0.762096 0.524191 0.479766 Al\n0.076359 0.152718 0.581074 Al\n0.923641 0.847282 0.418926 Al\n0.244368 0.488735 0.978098 Al\n0.755632 0.511265 0.021902 Al\n0.482029 0.964057 0.830357 Al\n0.517971 0.035943 0.169643 Al\n0.500000 0.000000 0.500000 Al\n0.300584 0.601167 0.769571 Al\n0.699416 0.398833 0.230429 Al\n0.086567 0.173134 0.785222 Al\n0.913433 0.826866 0.214778 Al\n0.965920 0.368314 0.114304 Al\n0.402394 0.368314 0.114304 Al\n0.034080 0.631686 0.885696 Al\n0.597606 0.631686 0.885696 Al\n0.152896 0.737544 0.110003 Al\n0.584648 0.737544 0.110003 Al\n0.847104 0.262456 0.889997 Al\n0.415352 0.262456 0.889997 Al\n0.959138 0.355414 0.329986 Al\n0.396276 0.355414 0.329986 Al\n0.040862 0.644586 0.670014 Al\n0.603724 0.644586 0.670014 Al\n0.261431 0.981993 0.327485 Al\n0.720562 0.981993 0.327485 Al\n0.738569 0.018007 0.672515 Al\n0.279438 0.018007 0.672515 Al\n0.141157 0.722776 0.480623 Al\n0.581619 0.722776 0.480623 Al\n0.858843 0.277224 0.519377 Al\n0.418381 0.277224 0.519377 Al\n0.750756 0.000000 0.000000 Al\n0.249244 0.000000 0.000000 Al\n0.081854 0.163709 0.385568 Rh\n0.918146 0.836291 0.614432 Rh\n0.397813 0.795626 0.627625 Rh\n0.602187 0.204374 0.372375 Rh\n0.089942 0.179884 0.979130 Rh\n0.910058 0.820116 0.020870 Rh\n0.398391 0.796783 0.977683 Rh\n0.601609 0.203217 0.022317 Rh\n0.038446 0.645222 0.280816 Rh\n0.606775 0.645222 0.280816 Rh\n0.961554 0.354778 0.719184 Rh\n0.393225 0.354778 0.719184 Rh\n","nsites":51,"nelements":2,"elements":["Al","Rh"],"chemical_system":"Al-Rh","density":4.724283565650322,"density_atomic":0.06343999590857825,"volume":803.90925739489,"volume_molar":9.492656286860978,"formula_full":"Al39 Rh12","formula_reduced":"Al13Rh4","formula_anonymous":"A4B13","energy":-265.1976525,"energy_per_atom":-5.199953970588235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-265.1976525,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0069252,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.984000Z","spacegroup":12},{"id":"mp-1101241","created_at":"2022-09-04T14:43:20.514096Z","structure_string":"V14 Fe5 O32\n1.0\n5.918316 0.000000 0.000000\n-2.865581 5.184431 0.000000\n-0.030402 -0.137194 18.869911\nV Fe O\n14 5 32\ndirect\n0.836336 0.161830 0.814847 V\n0.667216 0.331774 0.177484 V\n0.828736 0.690725 0.327111 V\n0.838690 0.681274 0.816401 V\n0.318204 0.157623 0.315240 V\n0.319160 0.161529 0.816117 V\n0.682864 0.839331 0.069940 V\n0.675659 0.833710 0.569591 V\n0.164965 0.324563 0.068672 V\n0.322055 0.675853 0.230240 V\n0.165514 0.324227 0.570231 V\n0.318359 0.640906 0.425756 V\n0.165865 0.838908 0.069030 V\n0.159679 0.837823 0.565850 V\n0.666151 0.333169 0.675694 Fe\n0.662063 0.322242 0.471446 Fe\n0.667588 0.330171 0.976686 Fe\n0.329618 0.665813 0.728900 Fe\n0.337853 0.667711 0.923591 Fe\n0.828988 0.170586 0.119270 O\n0.829815 0.170548 0.616501 O\n0.986214 0.522286 0.243099 O\n0.952727 0.480480 0.753690 O\n0.652226 0.340207 0.371533 O\n0.666483 0.335406 0.875670 O\n0.011284 0.987217 0.513421 O\n0.992343 0.006544 0.014835 O\n0.025698 0.010683 0.270538 O\n0.005181 0.990438 0.760549 O\n0.819908 0.668019 0.119525 O\n0.833363 0.662838 0.619525 O\n0.488159 0.018138 0.245032 O\n0.516283 0.045100 0.753158 O\n0.514514 0.490595 0.252433 O\n0.520702 0.478598 0.751757 O\n0.336647 0.166272 0.619791 O\n0.338320 0.180033 0.120201 O\n0.652735 0.798706 0.374831 O\n0.673893 0.823032 0.866629 O\n0.491759 0.514428 0.006108 O\n0.483052 0.509758 0.501935 O\n0.493158 0.973779 0.008135 O\n0.482486 0.961158 0.498322 O\n0.338110 0.665015 0.127751 O\n0.209950 0.362587 0.376828 O\n0.177303 0.324317 0.866062 O\n0.326427 0.677673 0.619054 O\n0.026682 0.509931 0.006966 O\n0.026397 0.511644 0.498990 O\n0.171680 0.824962 0.370236 O\n0.167719 0.832463 0.863725 O\n","nsites":51,"nelements":3,"elements":["V","Fe","O"],"chemical_system":"Fe-O-V","density":4.314589785734042,"density_atomic":0.08808482087430704,"volume":578.987383907775,"volume_molar":6.836752008150548,"formula_full":"V14 Fe5 O32","formula_reduced":"V14Fe5O32","formula_anonymous":"A5B14C32","energy":-442.79833785,"energy_per_atom":-8.68232035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-385.73433785,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":41.9996424,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.372000Z","spacegroup":1},{"id":"mp-1101096","created_at":"2022-09-04T14:40:38.982723Z","structure_string":"V6 Bi12 O33\n1.0\n7.416051 -0.261822 0.115225\n2.432068 8.742067 -0.340138\n-0.221784 -0.528679 12.279820\nV Bi O\n6 12 33\ndirect\n0.198847 0.977259 0.429130 V\n0.238840 0.995463 0.055732 V\n0.284894 0.001596 0.741617 V\n0.658617 0.988503 0.213782 V\n0.780072 0.981658 0.897659 V\n0.735490 0.003716 0.628906 V\n0.982400 0.303896 0.252994 Bi\n0.995607 0.329424 0.919992 Bi\n0.129832 0.297788 0.602723 Bi\n0.492582 0.653975 0.865051 Bi\n0.363732 0.683728 0.259323 Bi\n0.477262 0.692687 0.560380 Bi\n0.584443 0.252333 0.415511 Bi\n0.577906 0.259270 0.066015 Bi\n0.619843 0.401141 0.682237 Bi\n0.921120 0.691151 0.405898 Bi\n0.981048 0.676669 0.755094 Bi\n0.979024 0.687765 0.056775 Bi\n0.199441 0.986132 0.573421 O\n0.111246 0.204802 0.754733 O\n0.068119 0.162265 0.092636 O\n0.117915 0.162558 0.380116 O\n0.275641 0.014706 0.919201 O\n0.086762 0.842084 0.342347 O\n0.280549 0.462564 0.691209 O\n0.232302 0.508613 0.810272 O\n0.238351 0.489063 0.026579 O\n0.223016 0.586535 0.479267 O\n0.215583 0.495027 0.148785 O\n0.263021 0.521393 0.364527 O\n0.323213 0.782582 0.740199 O\n0.200390 0.823963 0.102173 O\n0.742366 0.019848 0.059550 O\n0.421074 0.821122 0.404164 O\n0.427128 0.011760 0.136785 O\n0.497331 0.055025 0.679787 O\n0.746908 0.215991 0.917194 O\n0.743007 0.184413 0.252634 O\n0.514674 0.053765 0.339297 O\n0.779964 0.113506 0.518451 O\n0.858709 0.565834 0.878917 O\n0.780533 0.499065 0.054086 O\n0.653472 0.564272 0.398992 O\n0.797251 0.424356 0.409561 O\n0.895224 0.468844 0.652979 O\n0.718221 0.431738 0.146793 O\n0.634590 0.863349 0.856027 O\n0.781640 0.801322 0.562712 O\n0.994022 0.828361 0.916341 O\n0.774544 0.802848 0.232190 O\n0.878238 0.986271 0.748253 O\n","nsites":51,"nelements":3,"elements":["V","Bi","O"],"chemical_system":"Bi-O-V","density":6.912643286465993,"density_atomic":0.063538584685518,"volume":802.6618825776923,"volume_molar":9.477927136410695,"formula_full":"V6 Bi12 O33","formula_reduced":"V2Bi4O11","formula_anonymous":"A2B4C11","energy":-328.51856313,"energy_per_atom":-6.441540453529412,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.00556313,"band_gap":0.6083999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9997933,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.074000Z","spacegroup":1},{"id":"mp-760186","created_at":"2022-09-04T14:40:43.258454Z","structure_string":"Li3 V3 Cr3 P6 H6 O30\n1.0\n-6.885951 0.000000 0.000000\n-0.080342 -7.440174 0.000000\n3.258781 1.626136 10.400803\nLi V Cr P H O\n3 3 3 6 6 30\ndirect\n0.249917 0.311668 0.159502 Li\n0.084199 0.352338 0.506380 Li\n0.750281 0.689094 0.839976 Li\n0.169837 0.332271 0.834592 V\n0.828274 0.665299 0.166868 V\n0.503160 0.999133 0.501225 V\n0.666019 0.331763 0.332976 Cr\n0.331770 0.669098 0.665292 Cr\n0.999633 0.998610 0.999694 Cr\n0.052875 0.072941 0.300358 P\n0.616382 0.257376 0.032448 P\n0.280368 0.593124 0.365104 P\n0.719324 0.405966 0.634777 P\n0.383776 0.741590 0.966415 P\n0.949092 0.924306 0.700041 P\n0.044207 0.671620 0.017239 H\n0.690579 0.000824 0.338890 H\n0.376534 0.337601 0.682308 H\n0.641786 0.665347 0.328708 H\n0.307359 0.998928 0.660207 H\n0.955161 0.328324 0.983421 H\n0.140099 0.076648 0.187659 O\n0.227748 0.088466 0.429565 O\n0.104959 0.579818 0.235587 O\n0.086212 0.100191 0.718157 O\n0.522979 0.270512 0.144027 O\n0.737467 0.087484 0.021439 O\n0.193120 0.588147 0.477546 O\n0.598976 0.086812 0.369152 O\n0.400336 0.420737 0.345860 O\n0.758793 0.429019 0.048009 O\n0.069542 0.252030 0.971701 O\n0.261722 0.413438 0.693864 O\n0.073079 0.756397 0.686391 O\n0.563002 0.745415 0.092908 O\n0.420552 0.764601 0.383978 O\n0.573739 0.238110 0.617920 O\n0.436970 0.255254 0.905496 O\n0.931565 0.244776 0.319396 O\n0.732826 0.579183 0.297496 O\n0.928927 0.747058 0.027521 O\n0.241955 0.569138 0.951148 O\n0.601634 0.580058 0.651537 O\n0.398159 0.912606 0.629396 O\n0.810244 0.395822 0.522732 O\n0.262163 0.911221 0.977881 O\n0.476022 0.726999 0.854118 O\n0.913912 0.900302 0.281595 O\n0.895003 0.419116 0.764437 O\n0.770942 0.920949 0.573624 O\n0.859220 0.924054 0.812462 O\n","nsites":51,"nelements":6,"elements":["Li","V","Cr","P","H","O"],"chemical_system":"Cr-H-Li-O-P-V","density":3.1209702912673003,"density_atomic":0.09570977279635934,"volume":532.8609452298268,"volume_molar":6.2920855248640555,"formula_full":"Li3 V3 Cr3 P6 H6 O30","formula_reduced":"LiVCrP2(HO5)2","formula_anonymous":"ABCD2E2F10","energy":-385.68476876,"energy_per_atom":-7.562446446274509,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-353.97776876,"band_gap":1.1159,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9992652,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.900000Z","spacegroup":1},{"id":"mp-1229223","created_at":"2022-09-04T14:40:20.246975Z","structure_string":"As14 H6 O31\n1.0\n6.109162 -10.581379 0.000000\n6.109162 10.581379 0.000000\n0.000000 0.000000 5.148192\nAs H O\n14 6 31\ndirect\n0.000408 0.472677 0.252386 As\n0.527323 0.527731 0.252386 As\n0.472269 0.999592 0.252386 As\n0.335092 0.198581 0.728952 As\n0.801419 0.136511 0.728952 As\n0.863489 0.664908 0.728952 As\n0.000000 0.000000 0.187130 As\n0.333333 0.666667 0.713270 As\n0.213231 0.277780 0.207784 As\n0.722220 0.935451 0.207784 As\n0.064549 0.786769 0.207784 As\n0.113495 0.385595 0.705664 As\n0.614405 0.727901 0.705664 As\n0.272099 0.886505 0.705664 As\n0.819905 0.394072 0.523226 H\n0.605928 0.425833 0.523226 H\n0.574167 0.180095 0.523226 H\n0.507307 0.260450 0.028069 H\n0.739550 0.246858 0.028069 H\n0.753142 0.492693 0.028069 H\n0.281451 0.761113 0.882319 O\n0.238887 0.520338 0.882319 O\n0.479662 0.718549 0.882319 O\n0.044277 0.901103 0.389064 O\n0.098897 0.143174 0.389064 O\n0.856826 0.955723 0.389064 O\n0.835918 0.405841 0.335437 O\n0.594159 0.430077 0.335437 O\n0.569923 0.164082 0.335437 O\n0.494375 0.253924 0.839183 O\n0.746076 0.240451 0.839183 O\n0.759549 0.505625 0.839183 O\n0.216276 0.382132 0.471842 O\n0.617868 0.834144 0.471842 O\n0.165856 0.783724 0.471842 O\n0.108364 0.286367 0.979895 O\n0.713633 0.821997 0.979895 O\n0.178003 0.891636 0.979895 O\n0.025113 0.627129 0.146582 O\n0.372871 0.397984 0.146582 O\n0.602016 0.974887 0.146582 O\n0.297837 0.040910 0.621571 O\n0.959090 0.256927 0.621571 O\n0.743073 0.702163 0.621571 O\n0.835587 0.084114 0.035137 O\n0.915886 0.751473 0.035137 O\n0.248527 0.164413 0.035137 O\n0.502908 0.567894 0.582421 O\n0.432106 0.935014 0.582421 O\n0.064986 0.497092 0.582421 O\n0.333333 0.666667 0.395075 O\n","nsites":51,"nelements":3,"elements":["As","H","O"],"chemical_system":"As-H-O","density":3.869305802000154,"density_atomic":0.07662342016551603,"volume":665.5928421079836,"volume_molar":7.859399576515162,"formula_full":"As14 H6 O31","formula_reduced":"As14H6O31","formula_anonymous":"A6B14C31","energy":-312.55836730000004,"energy_per_atom":-6.128595437254903,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.2613673,"band_gap":2.2221,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015828,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.083000Z","spacegroup":143},{"id":"mp-14873","created_at":"2022-09-04T14:40:27.677799Z","structure_string":"K4 Nb8 Si1 P4 O34\n1.0\n10.781159 0.000000 0.000000\n0.000000 10.781159 0.000000\n0.000000 0.000000 6.525080\nK Nb Si P O\n4 8 1 4 34\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.300171 K\n0.500000 0.000000 0.699829 K\n0.000000 0.000000 0.500000 K\n0.177954 0.177954 0.000000 Nb\n0.822046 0.822046 0.000000 Nb\n0.822046 0.177954 0.000000 Nb\n0.177954 0.822046 0.000000 Nb\n0.500000 0.186610 0.202182 Nb\n0.813390 0.500000 0.797818 Nb\n0.186610 0.500000 0.797818 Nb\n0.500000 0.813390 0.202182 Nb\n0.500000 0.500000 0.000000 Si\n0.240163 0.240163 0.500000 P\n0.240163 0.759837 0.500000 P\n0.759837 0.759837 0.500000 P\n0.759837 0.240163 0.500000 P\n0.161126 0.196366 0.313230 O\n0.838874 0.803634 0.313230 O\n0.803634 0.161126 0.686770 O\n0.196366 0.838874 0.686770 O\n0.838874 0.196366 0.313230 O\n0.803634 0.838874 0.686770 O\n0.196366 0.161126 0.686770 O\n0.161126 0.803634 0.313230 O\n0.824556 0.000000 0.028178 O\n0.000000 0.824556 0.971822 O\n0.000000 0.175444 0.971822 O\n0.175444 0.000000 0.028178 O\n0.500000 0.374605 0.148644 O\n0.625395 0.500000 0.851356 O\n0.374605 0.500000 0.851356 O\n0.500000 0.625395 0.148644 O\n0.378056 0.214395 0.459241 O\n0.500000 0.000000 0.253636 O\n0.000000 0.500000 0.746364 O\n0.363062 0.827524 0.021606 O\n0.172476 0.363062 0.978394 O\n0.827524 0.636938 0.978394 O\n0.636938 0.172476 0.021606 O\n0.172476 0.636938 0.978394 O\n0.827524 0.363062 0.978394 O\n0.636938 0.827524 0.021606 O\n0.363062 0.172476 0.021606 O\n0.378056 0.785605 0.459241 O\n0.214395 0.378056 0.540759 O\n0.785605 0.621944 0.540759 O\n0.621944 0.214395 0.459241 O\n0.214395 0.621944 0.540759 O\n0.785605 0.378056 0.540759 O\n0.621944 0.785605 0.459241 O\n","nsites":51,"nelements":5,"elements":["K","Nb","Si","P","O"],"chemical_system":"K-Nb-O-P-Si","density":3.493474493158848,"density_atomic":0.06724398356779099,"volume":758.4321643970592,"volume_molar":8.95565735472657,"formula_full":"K4 Nb8 Si1 P4 O34","formula_reduced":"K4Nb8Si(P2O17)2","formula_anonymous":"AB4C4D8E34","energy":-430.73239531,"energy_per_atom":-8.44573324137255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-407.37439531,"band_gap":1.7856999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001934,"is_theoretical":false,"updated_at":"2021-11-28T01:34:50.317000Z","spacegroup":115},{"id":"mp-21819","created_at":"2022-09-04T14:40:26.675594Z","structure_string":"U2 Cr30 P19\n1.0\n7.282958 -12.614453 0.000000\n7.282958 12.614453 0.000000\n0.000000 0.000000 3.440593\nU Cr P\n2 30 19\ndirect\n0.000000 0.000000 0.500000 U\n0.333333 0.666667 0.000000 U\n0.156465 0.981401 0.000000 Cr\n0.058198 0.523767 0.000000 Cr\n0.465569 0.941802 0.000000 Cr\n0.476233 0.534431 0.000000 Cr\n0.276027 0.146527 0.500000 Cr\n0.824936 0.843535 0.000000 Cr\n0.853473 0.129500 0.500000 Cr\n0.847402 0.443824 0.000000 Cr\n0.596422 0.152598 0.000000 Cr\n0.556176 0.403578 0.000000 Cr\n0.524027 0.248209 0.500000 Cr\n0.724182 0.475973 0.500000 Cr\n0.751791 0.275818 0.500000 Cr\n0.509344 0.822632 0.500000 Cr\n0.177368 0.686712 0.500000 Cr\n0.313288 0.490656 0.500000 Cr\n0.730917 0.917808 0.500000 Cr\n0.082192 0.813109 0.500000 Cr\n0.186891 0.269083 0.500000 Cr\n0.602303 0.745648 0.000000 Cr\n0.254352 0.856655 0.000000 Cr\n0.143345 0.397697 0.000000 Cr\n0.690258 0.619296 0.000000 Cr\n0.380704 0.070962 0.000000 Cr\n0.929038 0.309742 0.000000 Cr\n0.644791 0.044990 0.500000 Cr\n0.955010 0.599801 0.500000 Cr\n0.400199 0.355209 0.500000 Cr\n0.870500 0.723973 0.500000 Cr\n0.018599 0.175064 0.000000 Cr\n0.666667 0.333333 0.000000 P\n0.937902 0.423204 0.500000 P\n0.398756 0.240424 0.000000 P\n0.759576 0.158332 0.000000 P\n0.841668 0.601244 0.000000 P\n0.170569 0.521917 0.500000 P\n0.478083 0.648652 0.500000 P\n0.351348 0.829431 0.500000 P\n0.162480 0.145523 0.000000 P\n0.854477 0.016956 0.000000 P\n0.983044 0.837520 0.000000 P\n0.028402 0.284064 0.500000 P\n0.715936 0.744338 0.500000 P\n0.255662 0.971598 0.500000 P\n0.300408 0.380248 0.000000 P\n0.619752 0.920160 0.000000 P\n0.079840 0.699592 0.000000 P\n0.576796 0.514698 0.500000 P\n0.485302 0.062098 0.500000 P\n","nsites":51,"nelements":3,"elements":["U","Cr","P"],"chemical_system":"Cr-P-U","density":6.893608264904278,"density_atomic":0.08067345383963433,"volume":632.178214427012,"volume_molar":7.464835671931234,"formula_full":"U2 Cr30 P19","formula_reduced":"U2Cr30P19","formula_anonymous":"A2B19C30","energy":-439.07113632,"energy_per_atom":-8.609237967058823,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-439.07113632,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.1403593,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.400000Z","spacegroup":174},{"id":"mp-759047","created_at":"2022-09-04T14:47:23.446841Z","structure_string":"Li12 Cr3 P6 O24 F6\n1.0\n6.470766 0.000000 0.000000\n0.025905 10.017122 0.000000\n0.016977 4.995388 8.737184\nLi Cr P O F\n12 3 6 24 6\ndirect\n0.572270 0.999858 0.000995 Li\n0.738305 0.139931 0.181608 Li\n0.736380 0.676693 0.143759 Li\n0.070483 0.328792 0.341061 Li\n0.505070 0.327377 0.342388 Li\n0.483760 0.831914 0.340169 Li\n0.735463 0.181259 0.672013 Li\n0.492715 0.340165 0.821812 Li\n0.443931 0.669788 0.661772 Li\n0.052204 0.669087 0.660686 Li\n0.261496 0.477993 0.997987 Li\n0.494292 0.834452 0.830371 Li\n0.999366 0.832199 0.333299 Cr\n0.994356 0.331721 0.830314 Cr\n0.996968 0.835065 0.833727 Cr\n0.252071 0.145064 0.152777 P\n0.251239 0.703745 0.139644 P\n0.731105 0.532688 0.508439 P\n0.255539 0.153629 0.698242 P\n0.733091 0.957775 0.533523 P\n0.731035 0.508079 0.963354 P\n0.450628 0.056459 0.163367 O\n0.058569 0.039676 0.189926 O\n0.737220 0.387363 0.132786 O\n0.255729 0.234119 0.238791 O\n0.054689 0.777086 0.037544 O\n0.449563 0.785001 0.054056 O\n0.253986 0.530500 0.199028 O\n0.737381 0.127666 0.487074 O\n0.737326 0.480961 0.389654 O\n0.216905 0.747685 0.268194 O\n0.257634 0.248474 0.525445 O\n0.921227 0.640322 0.491566 O\n0.538374 0.620167 0.508270 O\n0.770721 0.934140 0.392311 O\n0.451906 0.163744 0.778128 O\n0.058387 0.192431 0.765265 O\n0.765716 0.393238 0.675369 O\n0.541464 0.869874 0.621144 O\n0.922704 0.865632 0.642211 O\n0.216431 0.268658 0.977431 O\n0.920992 0.488777 0.874295 O\n0.531120 0.505087 0.882375 O\n0.219788 0.977252 0.756517 O\n0.765637 0.674931 0.935873 O\n0.774880 0.830886 0.205029 F\n0.209368 0.823828 0.472761 F\n0.204924 0.475362 0.704734 F\n0.773823 0.202398 0.963146 F\n0.207308 0.693737 0.833339 F\n0.774856 0.966891 0.829507 F\n","nsites":51,"nelements":5,"elements":["Li","Cr","P","O","F"],"chemical_system":"Cr-F-Li-O-P","density":2.7066193788968174,"density_atomic":0.09005338379976965,"volume":566.3307456985359,"volume_molar":6.687300916298721,"formula_full":"Li12 Cr3 P6 O24 F6","formula_reduced":"Li4CrP2(O4F)2","formula_anonymous":"AB2C2D4E8","energy":-350.16593519,"energy_per_atom":-6.865998729215687,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.90893519,"band_gap":3.5923000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.9986357,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.985000Z","spacegroup":1},{"id":"mp-17880","created_at":"2022-09-04T14:47:08.865441Z","structure_string":"Al39 Ru12\n1.0\n4.109123 7.974228 0.000000\n-4.109123 7.974228 0.000000\n0.000000 3.905141 12.188718\nAl Ru\n39 12\ndirect\n0.500000 0.500000 0.500000 Al\n0.749490 0.250510 0.000000 Al\n0.250510 0.749490 0.000000 Al\n0.932413 0.932413 0.174558 Al\n0.067587 0.067587 0.825442 Al\n0.677576 0.677576 0.283116 Al\n0.322424 0.322424 0.716884 Al\n0.764137 0.764137 0.539102 Al\n0.235863 0.235863 0.460898 Al\n0.927872 0.927872 0.580212 Al\n0.072128 0.072128 0.419788 Al\n0.760558 0.760558 0.956926 Al\n0.239442 0.239442 0.043074 Al\n0.518631 0.518631 0.829556 Al\n0.481369 0.481369 0.170444 Al\n0.690063 0.690063 0.773682 Al\n0.309937 0.309937 0.226318 Al\n0.917682 0.917682 0.785760 Al\n0.082318 0.082318 0.214240 Al\n0.593805 0.034439 0.109849 Al\n0.965561 0.406195 0.890151 Al\n0.406195 0.965561 0.890151 Al\n0.034439 0.593805 0.109849 Al\n0.416807 0.849145 0.108950 Al\n0.150855 0.583193 0.891050 Al\n0.583193 0.150855 0.891050 Al\n0.849145 0.416807 0.108950 Al\n0.599327 0.042867 0.335326 Al\n0.957133 0.400673 0.664674 Al\n0.400673 0.957133 0.664674 Al\n0.042867 0.599327 0.335326 Al\n0.276630 0.742053 0.329524 Al\n0.257947 0.723370 0.670476 Al\n0.723370 0.257947 0.670476 Al\n0.742053 0.276630 0.329524 Al\n0.413228 0.858837 0.480461 Al\n0.141163 0.586772 0.519539 Al\n0.586772 0.141163 0.519539 Al\n0.858837 0.413228 0.480461 Al\n0.914703 0.914703 0.382984 Ru\n0.085297 0.085297 0.617016 Ru\n0.598627 0.598627 0.624461 Ru\n0.401373 0.401373 0.375539 Ru\n0.908101 0.908101 0.987550 Ru\n0.091899 0.091899 0.012450 Ru\n0.599513 0.599513 0.984689 Ru\n0.400487 0.400487 0.015311 Ru\n0.384434 0.976943 0.278414 Ru\n0.023057 0.615566 0.721586 Ru\n0.615566 0.023057 0.721586 Ru\n0.976943 0.384434 0.278414 Ru\n","nsites":51,"nelements":2,"elements":["Al","Ru"],"chemical_system":"Al-Ru","density":4.708846115989373,"density_atomic":0.06384756823316412,"volume":798.777485365672,"volume_molar":9.43205971135474,"formula_full":"Al39 Ru12","formula_reduced":"Al13Ru4","formula_anonymous":"A4B13","energy":-284.73784285,"energy_per_atom":-5.583094957843137,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-284.73784285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002126,"is_theoretical":false,"updated_at":"2021-11-28T01:37:56.432000Z","spacegroup":12},{"id":"mp-1200345","created_at":"2022-09-04T14:39:34.612932Z","structure_string":"Na4 Ce2 Si12 O33\n1.0\n7.110208 0.000000 0.000000\n0.000000 7.519293 0.000000\n0.000000 0.000000 15.316689\nNa Ce Si O\n4 2 12 33\ndirect\n0.006812 0.500000 0.238574 Na\n0.006812 0.500000 0.761426 Na\n0.871567 0.770795 0.500000 Na\n0.871567 0.229205 0.500000 Na\n0.997805 0.000000 0.252619 Ce\n0.997805 0.000000 0.747381 Ce\n0.746663 0.708853 0.099669 Si\n0.746663 0.291147 0.900331 Si\n0.746663 0.708853 0.900331 Si\n0.746663 0.291147 0.099669 Si\n0.289665 0.703715 0.399653 Si\n0.289665 0.296285 0.600347 Si\n0.289665 0.703715 0.600347 Si\n0.289665 0.296285 0.399653 Si\n0.483522 0.000000 0.158391 Si\n0.483522 0.000000 0.841609 Si\n0.593133 0.000000 0.357236 Si\n0.593133 0.000000 0.642764 Si\n0.827392 0.723653 0.000000 O\n0.827392 0.276347 0.000000 O\n0.123344 0.756914 0.332484 O\n0.123344 0.243086 0.667516 O\n0.123344 0.756914 0.667516 O\n0.123344 0.243086 0.332484 O\n0.900436 0.777180 0.170438 O\n0.900436 0.222820 0.829562 O\n0.900436 0.777180 0.829562 O\n0.900436 0.222820 0.170438 O\n0.549363 0.820420 0.106531 O\n0.549363 0.179580 0.893469 O\n0.549363 0.820420 0.893469 O\n0.549363 0.179580 0.106531 O\n0.478716 0.824649 0.390677 O\n0.478716 0.175351 0.609323 O\n0.478716 0.824649 0.609323 O\n0.478716 0.175351 0.390677 O\n0.208801 0.727807 0.500000 O\n0.208801 0.272193 0.500000 O\n0.263787 0.000000 0.182361 O\n0.263787 0.000000 0.817639 O\n0.609218 0.000000 0.250342 O\n0.609218 0.000000 0.749658 O\n0.808384 0.000000 0.389802 O\n0.808384 0.000000 0.610198 O\n0.700932 0.500000 0.122459 O\n0.700932 0.500000 0.877541 O\n0.362702 0.500000 0.385062 O\n0.362702 0.500000 0.614938 O\n0.918804 0.500000 0.383197 O\n0.918804 0.500000 0.616803 O\n0.181533 0.000000 0.000000 O\n","nsites":51,"nelements":4,"elements":["Na","Ce","Si","O"],"chemical_system":"Ce-Na-O-Si","density":2.5087873144851325,"density_atomic":0.06227962202125545,"volume":818.8874361278907,"volume_molar":9.669520405799346,"formula_full":"Na4 Ce2 Si12 O33","formula_reduced":"Na4Ce2(Si4O11)3","formula_anonymous":"A2B4C12D33","energy":-392.7258043,"energy_per_atom":-7.700505966666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-370.0548043,"band_gap":0.0397,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999991,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.744000Z","spacegroup":25},{"id":"mp-1227077","created_at":"2022-09-04T14:39:34.873637Z","structure_string":"Cd43 Pd8\n1.0\n7.210272 -7.199440 0.000000\n7.210272 7.199440 0.000000\n0.021648 0.000000 10.189185\nCd Pd\n43 8\ndirect\n0.605145 0.605145 0.605145 Cd\n0.605487 0.394131 0.394131 Cd\n0.394131 0.394131 0.605487 Cd\n0.394131 0.605487 0.394131 Cd\n0.500174 0.857566 0.500174 Cd\n0.500174 0.500174 0.857566 Cd\n0.857566 0.500174 0.500174 Cd\n0.498786 0.141491 0.498786 Cd\n0.498786 0.498786 0.141491 Cd\n0.141491 0.498786 0.498786 Cd\n0.052416 0.294031 0.294031 Cd\n0.294031 0.052416 0.294031 Cd\n0.294031 0.294031 0.052416 Cd\n0.047158 0.696234 0.696234 Cd\n0.304627 0.954182 0.694481 Cd\n0.304627 0.694481 0.954182 Cd\n0.954182 0.694481 0.304627 Cd\n0.694481 0.954182 0.304627 Cd\n0.696234 0.696234 0.047158 Cd\n0.954182 0.304627 0.694481 Cd\n0.696234 0.047158 0.696234 Cd\n0.694481 0.304627 0.954182 Cd\n0.545942 0.806978 0.806978 Cd\n0.806978 0.545943 0.806978 Cd\n0.806978 0.806978 0.545942 Cd\n0.542144 0.193238 0.193238 Cd\n0.807576 0.454783 0.192510 Cd\n0.807576 0.192510 0.454783 Cd\n0.454783 0.192510 0.807576 Cd\n0.192510 0.454783 0.807576 Cd\n0.193238 0.193238 0.542144 Cd\n0.454783 0.807576 0.192510 Cd\n0.193238 0.542144 0.193238 Cd\n0.192510 0.807576 0.454783 Cd\n0.007347 0.345545 0.007347 Cd\n0.007347 0.007347 0.345545 Cd\n0.345545 0.007347 0.007347 Cd\n0.999318 0.642629 0.999318 Cd\n0.999318 0.999318 0.642629 Cd\n0.642629 0.999318 0.999318 Cd\n0.105540 0.903057 0.903057 Cd\n0.903057 0.903057 0.105540 Cd\n0.903057 0.105540 0.903057 Cd\n0.829124 0.829124 0.829124 Pd\n0.823303 0.173505 0.173505 Pd\n0.173505 0.173505 0.823303 Pd\n0.173505 0.823303 0.173505 Pd\n0.329578 0.329578 0.329578 Pd\n0.328554 0.671828 0.671828 Pd\n0.671828 0.671828 0.328554 Pd\n0.671828 0.328554 0.671828 Pd\n","nsites":51,"nelements":2,"elements":["Cd","Pd"],"chemical_system":"Cd-Pd","density":8.92405584215427,"density_atomic":0.04821146936097639,"volume":1057.8395696290627,"volume_molar":12.491095666282426,"formula_full":"Cd43 Pd8","formula_reduced":"Cd43Pd8","formula_anonymous":"A8B43","energy":-89.35497587,"energy_per_atom":-1.752058350392157,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.35497587,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.7071017,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.886000Z","spacegroup":160},{"id":"mp-776587","created_at":"2022-09-04T14:39:32.680514Z","structure_string":"Li6 Mn9 B9 O27\n1.0\n4.125745 -7.145999 0.000000\n4.125745 7.145999 0.000000\n0.000000 0.000000 9.467231\nLi Mn B O\n6 9 9 27\ndirect\n0.297399 0.287590 0.167393 Li\n0.293819 0.267889 0.499403 Li\n0.974070 0.706181 0.832736 Li\n0.990192 0.702601 0.500726 Li\n0.732111 0.025930 0.166069 Li\n0.712410 0.009808 0.834059 Li\n0.005714 0.370875 0.335514 Mn\n0.016113 0.396169 0.001728 Mn\n0.003540 0.346253 0.670153 Mn\n0.342713 0.996460 0.003486 Mn\n0.365161 0.994286 0.668847 Mn\n0.380056 0.983887 0.335062 Mn\n0.603831 0.619944 0.668395 Mn\n0.629125 0.634839 0.002180 Mn\n0.653747 0.657287 0.336819 Mn\n0.023423 0.005803 0.327503 B\n0.661433 0.333680 0.498951 B\n0.666320 0.327753 0.165618 B\n0.982381 0.976577 0.660836 B\n0.672247 0.338567 0.832285 B\n0.994197 0.017619 0.994170 B\n0.321422 0.663864 0.837827 B\n0.336136 0.657557 0.504494 B\n0.342443 0.678578 0.171161 B\n0.184329 0.117937 0.014360 O\n0.172852 0.075926 0.640697 O\n0.220405 0.111875 0.328845 O\n0.577369 0.443892 0.509440 O\n0.587811 0.440721 0.169102 O\n0.598220 0.457263 0.820831 O\n0.542737 0.140957 0.487498 O\n0.556108 0.133477 0.176107 O\n0.559279 0.147090 0.835769 O\n0.903074 0.827148 0.974030 O\n0.933608 0.815671 0.347693 O\n0.891470 0.779595 0.662178 O\n0.852910 0.412189 0.502435 O\n0.859043 0.401780 0.154165 O\n0.866523 0.422631 0.842773 O\n0.888125 0.108530 0.995511 O\n0.882063 0.066392 0.681026 O\n0.924074 0.096926 0.307364 O\n0.250198 0.784097 0.839952 O\n0.266432 0.780327 0.488449 O\n0.267347 0.795433 0.185711 O\n0.204567 0.471914 0.852378 O\n0.215903 0.466100 0.506619 O\n0.219673 0.486105 0.155115 O\n0.513895 0.733568 0.821782 O\n0.528086 0.732653 0.519044 O\n0.533900 0.749802 0.173286 O\n","nsites":51,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.169069393646223,"density_atomic":0.09135911277425338,"volume":558.2365945914999,"volume_molar":6.591724215711896,"formula_full":"Li6 Mn9 B9 O27","formula_reduced":"Li2Mn3(BO3)3","formula_anonymous":"A2B3C3D9","energy":-411.93646451,"energy_per_atom":-8.077185578627452,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-378.37546451,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":42.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.800000Z","spacegroup":145}]}