{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=24","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=22","results":[{"id":"mp-1348043","created_at":"2022-09-04T14:42:01.994285Z","structure_string":"Mg4 Ta2 V2 O12\n1.0\n7.555116 0.000000 0.000000\n0.000000 5.222228 0.000000\n0.000000 0.028908 5.444908\nMg Ta V O\n4 2 2 12\ndirect\n0.750000 0.995779 0.041975 Mg\n0.750000 0.516784 0.565092 Mg\n0.250000 0.483216 0.434908 Mg\n0.250000 0.004221 0.958025 Mg\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.430713 0.171581 0.188684 O\n0.569222 0.686830 0.321131 O\n0.569287 0.828419 0.811316 O\n0.069222 0.313170 0.678869 O\n0.250000 0.864240 0.556793 O\n0.430778 0.313170 0.678869 O\n0.930778 0.686830 0.321131 O\n0.069287 0.171581 0.188684 O\n0.750000 0.382389 0.941868 O\n0.930713 0.828419 0.811316 O\n0.250000 0.617611 0.058132 O\n0.750000 0.135760 0.443207 O\n","nsites":20,"nelements":4,"elements":["Mg","Ta","V","O"],"chemical_system":"Mg-O-Ta-V","density":5.820384747436591,"density_atomic":0.09309845714215742,"volume":214.82633132642405,"volume_molar":6.468572031010616,"formula_full":"Mg4 Ta2 V2 O12","formula_reduced":"Mg2TaVO6","formula_anonymous":"ABC2D6","energy":-167.40704698000002,"energy_per_atom":-8.370352349000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.76304698,"band_gap":1.5259999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0004876,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.727000Z","spacegroup":11},{"id":"mp-975337","created_at":"2022-09-04T14:42:02.819476Z","structure_string":"Rb1 F3\n1.0\n-2.033363 2.033363 4.344031\n2.033363 -2.033363 4.344031\n2.033363 2.033363 -4.344031\nRb F\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.500000 0.500000 0.000000 F\n","nsites":4,"nelements":2,"elements":["Rb","F"],"chemical_system":"F-Rb","density":3.292823645761049,"density_atomic":0.055677182603847464,"volume":71.84271568589729,"volume_molar":10.816173661028337,"formula_full":"Rb1 F3","formula_reduced":"RbF3","formula_anonymous":"AB3","energy":-12.54617475,"energy_per_atom":-3.1365436875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.16017475,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0002937,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.052000Z","spacegroup":139},{"id":"mp-1661936","created_at":"2022-09-04T14:42:01.987669Z","structure_string":"Mg4 V6 O16\n1.0\n5.915824 -0.000057 0.000111\n-2.957926 5.123301 -0.000084\n0.000194 -0.000061 9.505615\nMg V O\n4 6 16\ndirect\n0.666652 0.333324 0.022214 Mg\n0.333336 0.666661 0.522254 Mg\n0.666652 0.333350 0.421529 Mg\n0.333353 0.666674 0.921523 Mg\n0.837672 0.163806 0.744388 V\n0.836206 0.673825 0.744396 V\n0.326188 0.162347 0.744391 V\n0.673737 0.836503 0.244166 V\n0.162720 0.326257 0.244154 V\n0.163487 0.837269 0.244165 V\n0.999990 0.000025 0.353110 O\n0.000027 0.000004 0.853406 O\n0.333318 0.666671 0.131756 O\n0.666683 0.333319 0.631912 O\n0.851569 0.178145 0.145577 O\n0.673439 0.822010 0.645871 O\n0.148615 0.326550 0.645855 O\n0.821833 0.673441 0.145584 O\n0.326548 0.148417 0.145579 O\n0.177975 0.851380 0.645862 O\n0.505618 0.468412 0.864975 O\n0.037185 0.531671 0.364793 O\n0.494445 0.962812 0.364800 O\n0.531598 0.037186 0.864971 O\n0.962826 0.494390 0.864975 O\n0.468332 0.505557 0.364796 O\n","nsites":26,"nelements":3,"elements":["Mg","V","O"],"chemical_system":"Mg-O-V","density":3.79750997018332,"density_atomic":0.09024651226530449,"volume":288.0997763499806,"volume_molar":6.672990023477316,"formula_full":"Mg4 V6 O16","formula_reduced":"Mg2V3O8","formula_anonymous":"A2B3C8","energy":-209.65775801,"energy_per_atom":-8.06375992346154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.46575801,"band_gap":1.8265,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.37e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.647000Z","spacegroup":159},{"id":"mp-1216496","created_at":"2022-09-04T14:42:02.975228Z","structure_string":"V18 Ga4 Sn2\n1.0\n4.855489 0.000000 0.000000\n0.000000 4.876257 0.000000\n0.000000 0.000000 14.427437\nV Ga Sn\n18 4 2\ndirect\n0.500000 0.000000 0.241590 V\n0.500000 0.000000 0.580461 V\n0.500000 0.000000 0.919219 V\n0.762023 0.500000 0.000000 V\n0.739447 0.500000 0.332709 V\n0.739447 0.500000 0.667291 V\n0.000000 0.740817 0.160280 V\n0.000000 0.739288 0.500000 V\n0.000000 0.740817 0.839720 V\n0.500000 0.000000 0.080781 V\n0.500000 0.000000 0.419539 V\n0.500000 0.000000 0.758410 V\n0.237977 0.500000 0.000000 V\n0.260553 0.500000 0.332709 V\n0.260553 0.500000 0.667291 V\n0.000000 0.259183 0.160280 V\n0.000000 0.260712 0.500000 V\n0.000000 0.259183 0.839720 V\n0.500000 0.500000 0.165804 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.834196 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.329961 Sn\n0.000000 0.000000 0.670039 Sn\n","nsites":24,"nelements":3,"elements":["V","Ga","Sn"],"chemical_system":"Ga-Sn-V","density":6.967308281565659,"density_atomic":0.07025908568553531,"volume":341.59283124489957,"volume_molar":8.571333801515463,"formula_full":"V18 Ga4 Sn2","formula_reduced":"V9Ga2Sn","formula_anonymous":"AB2C9","energy":-186.69371635,"energy_per_atom":-7.7789048479166665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.69371635,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.4442938,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.994000Z","spacegroup":47},{"id":"mp-849313","created_at":"2022-09-04T14:42:02.720906Z","structure_string":"Li6 V3 Cr6 O18\n1.0\n4.478766 6.473002 0.000000\n-4.478766 6.473002 0.000000\n0.000000 1.505854 5.811097\nLi V Cr O\n6 3 6 18\ndirect\n0.000865 0.333024 0.673057 Li\n0.333024 0.000865 0.673057 Li\n0.999135 0.666976 0.326943 Li\n0.666976 0.999135 0.326943 Li\n0.330752 0.669248 0.000000 Li\n0.669248 0.330752 0.000000 Li\n0.336009 0.663991 0.500000 V\n0.000000 0.000000 0.500000 V\n0.663991 0.336009 0.500000 V\n0.001658 0.331108 0.164017 Cr\n0.664783 0.664783 0.163757 Cr\n0.331108 0.001658 0.164017 Cr\n0.998342 0.668892 0.835983 Cr\n0.668892 0.998342 0.835983 Cr\n0.335217 0.335217 0.836243 Cr\n0.504754 0.504754 0.270695 O\n0.844309 0.501021 0.940350 O\n0.501021 0.844309 0.940350 O\n0.495246 0.495246 0.729305 O\n0.824785 0.483348 0.402145 O\n0.483348 0.824785 0.402145 O\n0.155691 0.498979 0.059650 O\n0.821742 0.821742 0.069465 O\n0.498979 0.155691 0.059650 O\n0.175215 0.516652 0.597855 O\n0.849805 0.849805 0.587615 O\n0.516652 0.175215 0.597855 O\n0.174628 0.831671 0.277875 O\n0.831671 0.174628 0.277875 O\n0.178258 0.178258 0.930535 O\n0.168329 0.825372 0.722125 O\n0.825372 0.168329 0.722125 O\n0.150195 0.150195 0.412385 O\n","nsites":33,"nelements":4,"elements":["Li","V","Cr","O"],"chemical_system":"Cr-Li-O-V","density":3.915217950544755,"density_atomic":0.09794036214224355,"volume":336.93973841012036,"volume_molar":6.148783431343404,"formula_full":"Li6 V3 Cr6 O18","formula_reduced":"Li2VCr2O6","formula_anonymous":"AB2C2D6","energy":-264.54599605,"energy_per_atom":-8.016545334848484,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-235.08599605,"band_gap":1.3626,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.0001085,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.686000Z","spacegroup":12},{"id":"mp-9266","created_at":"2022-09-04T14:42:02.730583Z","structure_string":"Na12 Fe2 S8\n1.0\n4.473294 -7.747972 0.000000\n4.473294 7.747972 0.000000\n0.000000 0.000000 6.947354\nNa Fe S\n12 2 8\ndirect\n0.146869 0.853131 0.539430 Na\n0.293737 0.146869 0.039430 Na\n0.853131 0.706263 0.039430 Na\n0.146869 0.293737 0.539430 Na\n0.706263 0.853131 0.539430 Na\n0.853131 0.146869 0.039430 Na\n0.531708 0.468292 0.368704 Na\n0.063415 0.531708 0.868704 Na\n0.468292 0.936585 0.868704 Na\n0.531708 0.063415 0.368704 Na\n0.936585 0.468292 0.368704 Na\n0.468292 0.531708 0.868704 Na\n0.666667 0.333333 0.752869 Fe\n0.333333 0.666667 0.252869 Fe\n0.810891 0.189109 0.645879 S\n0.621782 0.810891 0.145879 S\n0.333333 0.666667 0.591991 S\n0.666667 0.333333 0.091991 S\n0.189109 0.810891 0.145879 S\n0.378218 0.189109 0.645879 S\n0.810891 0.621782 0.645879 S\n0.189109 0.378218 0.145879 S\n","nsites":22,"nelements":3,"elements":["Na","Fe","S"],"chemical_system":"Fe-Na-S","density":2.2208993534380834,"density_atomic":0.04568333188731699,"volume":481.57608237213174,"volume_molar":13.182358884974239,"formula_full":"Na12 Fe2 S8","formula_reduced":"Na6FeS4","formula_anonymous":"AB4C6","energy":-90.07315005,"energy_per_atom":-4.094234093181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.04915005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0006374,"is_theoretical":false,"updated_at":"2021-11-28T01:35:31.826000Z","spacegroup":186},{"id":"mp-768754","created_at":"2022-09-04T14:42:02.733641Z","structure_string":"Li4 Bi8 S12 O48\n1.0\n9.859808 0.000000 0.000000\n0.000000 8.941604 0.000000\n0.000000 8.835693 12.748790\nLi Bi S O\n4 8 12 48\ndirect\n0.773451 0.991163 0.321201 Li\n0.273451 0.008837 0.178799 Li\n0.726549 0.991163 0.821201 Li\n0.226549 0.008837 0.678799 Li\n0.536363 0.374555 0.883496 Bi\n0.949500 0.188480 0.097529 Bi\n0.036363 0.625445 0.616504 Bi\n0.449500 0.811520 0.402471 Bi\n0.550500 0.188480 0.597529 Bi\n0.963637 0.374555 0.383496 Bi\n0.050500 0.811520 0.902471 Bi\n0.463637 0.625445 0.116504 Bi\n0.276911 0.437615 0.005417 S\n0.377842 0.759518 0.650337 S\n0.097386 0.044656 0.343198 S\n0.597386 0.955344 0.156802 S\n0.877842 0.240482 0.849663 S\n0.776911 0.562385 0.494583 S\n0.223089 0.437615 0.505417 S\n0.122158 0.759518 0.150337 S\n0.402614 0.044656 0.843198 S\n0.902614 0.955344 0.656802 S\n0.622158 0.240482 0.349663 S\n0.723089 0.562385 0.994583 S\n0.858913 0.479056 0.042296 O\n0.888939 0.828593 0.623903 O\n0.591185 0.104542 0.325035 O\n0.698578 0.535715 0.908639 O\n0.384758 0.532847 0.922611 O\n0.234427 0.699351 0.683648 O\n0.390322 0.849296 0.535212 O\n0.967462 0.089289 0.279848 O\n0.276571 0.244334 0.046257 O\n0.213825 0.065119 0.278325 O\n0.087432 0.854275 0.437975 O\n0.473670 0.602787 0.706085 O\n0.973670 0.397213 0.793915 O\n0.587432 0.145725 0.062025 O\n0.713825 0.934881 0.221675 O\n0.776571 0.755666 0.453743 O\n0.890322 0.150704 0.964788 O\n0.467462 0.910711 0.220152 O\n0.734427 0.300649 0.816352 O\n0.884758 0.467153 0.577389 O\n0.198578 0.464285 0.591361 O\n0.388939 0.171407 0.876097 O\n0.091185 0.895458 0.174965 O\n0.358913 0.520944 0.457704 O\n0.641087 0.479056 0.542296 O\n0.908815 0.104542 0.825035 O\n0.611061 0.828593 0.123903 O\n0.801422 0.535715 0.408639 O\n0.115242 0.532847 0.422611 O\n0.265573 0.699351 0.183648 O\n0.532538 0.089289 0.779848 O\n0.109678 0.849296 0.035212 O\n0.223429 0.244334 0.546257 O\n0.286175 0.065119 0.778325 O\n0.412568 0.854275 0.937975 O\n0.026330 0.602787 0.206085 O\n0.526330 0.397213 0.293915 O\n0.912568 0.145725 0.562025 O\n0.786175 0.934881 0.721675 O\n0.723429 0.755666 0.953743 O\n0.032538 0.910711 0.720152 O\n0.609678 0.150704 0.464788 O\n0.765573 0.300649 0.316352 O\n0.615242 0.467153 0.077389 O\n0.301422 0.464285 0.091361 O\n0.408815 0.895458 0.674965 O\n0.111061 0.171407 0.376097 O\n0.141087 0.520944 0.957704 O\n","nsites":72,"nelements":4,"elements":["Li","Bi","S","O"],"chemical_system":"Bi-Li-O-S","density":4.214056302108735,"density_atomic":0.06405892389279123,"volume":1123.9651811900387,"volume_molar":9.400939625646275,"formula_full":"Li4 Bi8 S12 O48","formula_reduced":"LiBi2(SO4)3","formula_anonymous":"AB2C3D12","energy":-458.07690246,"energy_per_atom":-6.362179200833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-425.10090246,"band_gap":0.6097000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9983472,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.093000Z","spacegroup":14},{"id":"mp-767624","created_at":"2022-09-04T14:42:02.623086Z","structure_string":"Li9 V5 Si2 O16\n1.0\n5.104718 0.000000 0.000000\n0.858233 5.042674 0.000000\n0.924036 1.658279 11.157230\nLi V Si O\n9 5 2 16\ndirect\n0.747146 0.927246 0.559511 Li\n0.241202 0.816191 0.676451 Li\n0.747369 0.684320 0.807620 Li\n0.252907 0.564347 0.940767 Li\n0.747093 0.435653 0.059233 Li\n0.252631 0.315680 0.192380 Li\n0.758798 0.183809 0.323549 Li\n0.252854 0.072754 0.440489 Li\n0.500000 0.500000 0.500000 Li\n0.497377 0.261710 0.737387 V\n0.001488 0.130564 0.867729 V\n0.500000 0.000000 0.000000 V\n0.998512 0.869436 0.132271 V\n0.502623 0.738290 0.262613 V\n0.996345 0.380238 0.615988 Si\n0.003655 0.619762 0.384012 Si\n0.664855 0.562419 0.651623 O\n0.329995 0.183521 0.598645 O\n0.373391 0.926032 0.843954 O\n0.883255 0.080030 0.700298 O\n0.108499 0.459342 0.758635 O\n0.872697 0.801212 0.967199 O\n0.629890 0.331542 0.896819 O\n0.127303 0.198788 0.032801 O\n0.370110 0.668458 0.103181 O\n0.891501 0.540658 0.241365 O\n0.626609 0.073968 0.156046 O\n0.335145 0.437581 0.348377 O\n0.670005 0.816479 0.401355 O\n0.116745 0.919970 0.299702 O\n0.098955 0.678688 0.527286 O\n0.901045 0.321312 0.472714 O\n","nsites":32,"nelements":4,"elements":["Li","V","Si","O"],"chemical_system":"Li-O-Si-V","density":3.638680724404493,"density_atomic":0.11141943308043666,"volume":287.2030409354026,"volume_molar":5.404928560040739,"formula_full":"Li9 V5 Si2 O16","formula_reduced":"Li9V5(SiO8)2","formula_anonymous":"A2B5C9D16","energy":-235.21561168,"energy_per_atom":-7.350487865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.72361168,"band_gap":1.6405000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.146000Z","spacegroup":2},{"id":"mp-676737","created_at":"2022-09-04T14:42:02.743430Z","structure_string":"K18 Nb4 As12\n1.0\n9.342102 0.000000 0.000000\n0.000000 9.468021 0.000000\n0.000000 1.410487 12.765301\nK Nb As\n18 4 12\ndirect\n0.338657 0.585573 0.166113 K\n0.420635 0.931869 0.586545 K\n0.440574 0.624423 0.892893 K\n0.468346 0.182199 0.300320 K\n0.531654 0.182199 0.800320 K\n0.559426 0.624423 0.392893 K\n0.579365 0.931869 0.086545 K\n0.661343 0.585573 0.666113 K\n0.803854 0.013834 0.593886 K\n0.834289 0.407020 0.336189 K\n0.924261 0.069982 0.904712 K\n0.944165 0.395709 0.609391 K\n0.930109 0.802506 0.217552 K\n0.069891 0.802506 0.717552 K\n0.055835 0.395709 0.109391 K\n0.075739 0.069982 0.404712 K\n0.165711 0.407020 0.836189 K\n0.196146 0.013834 0.093886 K\n0.325328 0.343370 0.554035 Nb\n0.674672 0.343370 0.054035 Nb\n0.829360 0.657142 0.945500 Nb\n0.170640 0.657142 0.445500 Nb\n0.306350 0.589504 0.620547 As\n0.297646 0.844030 0.324647 As\n0.414489 0.283214 0.032772 As\n0.585511 0.283214 0.532772 As\n0.702354 0.844030 0.824647 As\n0.693650 0.589504 0.120547 As\n0.806301 0.410767 0.878672 As\n0.811995 0.154571 0.166180 As\n0.915074 0.722486 0.477146 As\n0.084926 0.722486 0.977146 As\n0.188005 0.154571 0.666180 As\n0.193699 0.410767 0.378672 As\n","nsites":34,"nelements":3,"elements":["K","Nb","As"],"chemical_system":"As-K-Nb","density":2.903763668106935,"density_atomic":0.030112307733508502,"volume":1129.1064205672067,"volume_molar":19.998934699045527,"formula_full":"K18 Nb4 As12","formula_reduced":"K9(NbAs3)2","formula_anonymous":"A2B6C9","energy":-132.58515718,"energy_per_atom":-3.8995634464705886,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.58515718,"band_gap":0.607,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.997087,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.209000Z","spacegroup":7},{"id":"mp-1177973","created_at":"2022-09-04T14:42:02.671447Z","structure_string":"Li8 Fe12 W4 O32\n1.0\n8.613480 -0.021068 0.009875\n-0.021014 8.560388 -0.024892\n0.009718 -0.024505 8.596153\nLi Fe W O\n8 12 4 32\ndirect\n0.998593 0.998763 0.996461 Li\n0.248376 0.255963 0.252296 Li\n0.248649 0.745267 0.756221 Li\n0.503296 0.003897 0.498458 Li\n0.498344 0.503551 0.003734 Li\n0.752116 0.245838 0.749778 Li\n0.747399 0.751174 0.248253 Li\n0.003582 0.495738 0.498274 Li\n0.120033 0.135999 0.626059 Fe\n0.126746 0.380894 0.873299 Fe\n0.125262 0.623607 0.121905 Fe\n0.368151 0.373506 0.613639 Fe\n0.375763 0.613737 0.366724 Fe\n0.380639 0.863420 0.120743 Fe\n0.624492 0.372505 0.376741 Fe\n0.624588 0.118356 0.132666 Fe\n0.629096 0.875283 0.879680 Fe\n0.859307 0.130008 0.381462 Fe\n0.873736 0.882586 0.632976 Fe\n0.885488 0.631640 0.877445 Fe\n0.123834 0.875387 0.372314 W\n0.374805 0.130336 0.879405 W\n0.628647 0.620696 0.623979 W\n0.874336 0.375884 0.123974 W\n0.122346 0.101930 0.383665 O\n0.115123 0.878650 0.601551 O\n0.123139 0.613390 0.901172 O\n0.146232 0.126198 0.861779 O\n0.107323 0.391223 0.119866 O\n0.140167 0.364944 0.633020 O\n0.133981 0.644842 0.363666 O\n0.132012 0.862774 0.144237 O\n0.362225 0.132435 0.644294 O\n0.383111 0.352306 0.866348 O\n0.355608 0.635297 0.136858 O\n0.394720 0.616453 0.612825 O\n0.353246 0.867985 0.365149 O\n0.384805 0.385818 0.387748 O\n0.366981 0.114149 0.101954 O\n0.383541 0.894383 0.882434 O\n0.617494 0.396062 0.624489 O\n0.610899 0.624217 0.395032 O\n0.608244 0.880594 0.109307 O\n0.648876 0.372332 0.132214 O\n0.600856 0.112152 0.870458 O\n0.639926 0.134298 0.371462 O\n0.633908 0.854919 0.631920 O\n0.621329 0.637179 0.849756 O\n0.871423 0.365786 0.357288 O\n0.884000 0.148633 0.139027 O\n0.858611 0.871006 0.860110 O\n0.896394 0.882611 0.380936 O\n0.852454 0.636331 0.618113 O\n0.890192 0.113112 0.613224 O\n0.872105 0.379345 0.900821 O\n0.893449 0.604752 0.132928 O\n","nsites":56,"nelements":4,"elements":["Li","Fe","W","O"],"chemical_system":"Fe-Li-O-W","density":5.169025175528074,"density_atomic":0.08835244139545573,"volume":633.8251565607588,"volume_molar":6.816043410782013,"formula_full":"Li8 Fe12 W4 O32","formula_reduced":"Li2Fe3WO8","formula_anonymous":"AB2C3D8","energy":-435.84678657,"energy_per_atom":-7.782978331607143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-369.03878657,"band_gap":1.0395,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":55.9998539,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.851000Z","spacegroup":1},{"id":"mp-756776","created_at":"2022-09-04T14:42:02.866181Z","structure_string":"Li4 Fe2 P2 H2 O10\n1.0\n5.388815 0.000000 0.000000\n-0.299949 5.518268 0.000000\n-2.520758 -2.448177 6.803077\nLi Fe P H O\n4 2 2 2 10\ndirect\n0.463339 0.125672 0.830787 Li\n0.792668 0.428328 0.805423 Li\n0.207332 0.571672 0.194577 Li\n0.536661 0.874328 0.169213 Li\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.673945 0.376800 0.230538 P\n0.326055 0.623200 0.769462 P\n0.332628 0.075836 0.355151 H\n0.667372 0.924164 0.644849 H\n0.820454 0.061334 0.731317 O\n0.736170 0.217210 0.371321 O\n0.334144 0.337351 0.665950 O\n0.387730 0.254254 0.072915 O\n0.873519 0.355559 0.120946 O\n0.126481 0.644441 0.879054 O\n0.612270 0.745746 0.927085 O\n0.665856 0.662649 0.334050 O\n0.263830 0.782790 0.628679 O\n0.179546 0.938666 0.268683 O\n","nsites":20,"nelements":5,"elements":["Li","Fe","P","H","O"],"chemical_system":"Fe-H-Li-O-P","density":2.982951550380564,"density_atomic":0.09886180744542555,"volume":202.30259305182693,"volume_molar":6.091473457355499,"formula_full":"Li4 Fe2 P2 H2 O10","formula_reduced":"Li2FePHO5","formula_anonymous":"ABCD2E5","energy":-136.66721387,"energy_per_atom":-6.8333606935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.28521387,"band_gap":3.8225,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9998887,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.130000Z","spacegroup":2},{"id":"mp-1198083","created_at":"2022-09-04T14:42:03.633773Z","structure_string":"Gd20 Ge16\n1.0\n7.737264 0.000000 0.000000\n0.000000 7.838966 0.000000\n0.000000 0.000000 14.933136\nGd Ge\n20 16\ndirect\n0.475901 0.321797 0.900194 Gd\n0.975901 0.178203 0.599806 Gd\n0.524099 0.678203 0.400194 Gd\n0.024099 0.821797 0.099806 Gd\n0.524099 0.678203 0.099806 Gd\n0.024099 0.821797 0.400194 Gd\n0.475901 0.321797 0.599806 Gd\n0.975901 0.178203 0.900194 Gd\n0.122637 0.661887 0.883265 Gd\n0.622637 0.838113 0.616735 Gd\n0.877363 0.338113 0.383265 Gd\n0.377363 0.161887 0.116735 Gd\n0.877363 0.338113 0.116735 Gd\n0.377363 0.161887 0.383265 Gd\n0.122637 0.661887 0.616735 Gd\n0.622637 0.838113 0.883265 Gd\n0.709273 0.000616 0.250000 Gd\n0.209273 0.499384 0.250000 Gd\n0.290727 0.999384 0.750000 Gd\n0.790727 0.500616 0.750000 Gd\n0.282144 0.967103 0.955892 Ge\n0.782144 0.532897 0.544108 Ge\n0.717856 0.032897 0.455892 Ge\n0.217856 0.467103 0.044108 Ge\n0.717856 0.032897 0.044108 Ge\n0.217856 0.467103 0.455892 Ge\n0.282144 0.967103 0.544108 Ge\n0.782144 0.532897 0.955892 Ge\n0.582286 0.387416 0.250000 Ge\n0.082286 0.112584 0.250000 Ge\n0.417714 0.612584 0.750000 Ge\n0.917714 0.887416 0.750000 Ge\n0.825438 0.633532 0.250000 Ge\n0.325438 0.866468 0.250000 Ge\n0.174562 0.366468 0.750000 Ge\n0.674562 0.133532 0.750000 Ge\n","nsites":36,"nelements":2,"elements":["Gd","Ge"],"chemical_system":"Gd-Ge","density":7.896796605658388,"density_atomic":0.039747085052998496,"volume":905.7267961159376,"volume_molar":15.151150711983327,"formula_full":"Gd20 Ge16","formula_reduced":"Gd5Ge4","formula_anonymous":"A4B5","energy":-385.77259881,"energy_per_atom":-10.7159055225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-385.77259881,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":84.8189549,"is_theoretical":false,"updated_at":"2021-11-28T01:35:30.564000Z","spacegroup":62}]}