{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10240","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10238","results":[{"id":"mp-754417","created_at":"2022-09-04T14:47:20.839352Z","structure_string":"H1\n1.0\n1.425318 -2.468723 0.000000\n1.425318 2.468723 0.000000\n0.000000 0.000000 0.984187\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n","nsites":1,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.24165290766723713,"density_atomic":0.14438040216067372,"volume":6.926147766835766,"volume_molar":4.171023677644464,"formula_full":"H1","formula_reduced":"H","formula_anonymous":"A","energy":-3.01370105,"energy_per_atom":-3.01370105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.01370105,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001443,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.507000Z","spacegroup":191},{"id":"mp-754418","created_at":"2022-09-04T14:43:35.927693Z","structure_string":"Co6 O1 F11\n1.0\n3.304517 -10.123574 0.000000\n3.304517 10.123574 0.000000\n0.000000 0.000000 3.213421\nCo O F\n6 1 11\ndirect\n0.981286 0.981286 0.000000 Co\n0.521257 0.521257 0.500000 Co\n0.664086 0.331046 0.000000 Co\n0.834708 0.168699 0.500000 Co\n0.168699 0.834708 0.500000 Co\n0.331046 0.664086 0.000000 Co\n0.707437 0.707437 0.000000 O\n0.290748 0.290748 0.000000 F\n0.969692 0.635982 0.000000 F\n0.597109 0.394183 0.500000 F\n0.730156 0.265997 0.500000 F\n0.068363 0.937301 0.500000 F\n0.361172 0.024836 0.000000 F\n0.635982 0.969692 0.000000 F\n0.937301 0.068363 0.500000 F\n0.265997 0.730156 0.500000 F\n0.394183 0.597109 0.500000 F\n0.024836 0.361172 0.000000 F\n","nsites":18,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":4.468623795036257,"density_atomic":0.08372073448028965,"volume":215.000502703876,"volume_molar":7.193129393075011,"formula_full":"Co6 O1 F11","formula_reduced":"Co6OF11","formula_anonymous":"AB6C11","energy":-108.3193645,"energy_per_atom":-6.017742472222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.7223645,"band_gap":0.5509,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.0100058,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.052000Z","spacegroup":38},{"id":"mp-754419","created_at":"2022-09-04T14:43:00.565750Z","structure_string":"Li4 Mn4 Sn2 O12\n1.0\n5.280583 0.176122 0.000010\n-2.501415 4.653858 -0.000013\n0.000021 -0.000017 10.334087\nLi Mn Sn O\n4 4 2 12\ndirect\n0.109708 0.609703 0.750000 Li\n0.390296 0.890293 0.250003 Li\n0.609712 0.109705 0.750000 Li\n0.890297 0.390297 0.249997 Li\n0.337000 0.663013 0.000002 Mn\n0.836993 0.163007 0.499988 Mn\n0.162993 0.836986 0.500002 Mn\n0.662994 0.336991 0.000008 Mn\n0.999993 0.999998 0.000000 Sn\n0.500006 0.500000 0.499999 Sn\n0.160396 0.160401 0.591629 O\n0.339597 0.339603 0.091618 O\n0.660399 0.660398 0.908372 O\n0.839601 0.839594 0.408383 O\n0.052769 0.693343 0.112049 O\n0.947232 0.306656 0.887937 O\n0.193344 0.552767 0.387948 O\n0.447232 0.806659 0.612066 O\n0.306663 0.947236 0.887939 O\n0.552769 0.193346 0.387949 O\n0.806663 0.447237 0.612060 O\n0.693343 0.052765 0.112054 O\n","nsites":22,"nelements":4,"elements":["Li","Mn","Sn","O"],"chemical_system":"Li-Mn-O-Sn","density":4.348190006104213,"density_atomic":0.0851018477735651,"volume":258.51377585286446,"volume_molar":7.076392484477449,"formula_full":"Li4 Mn4 Sn2 O12","formula_reduced":"Li2Mn2SnO6","formula_anonymous":"AB2C2D6","energy":-157.77375866,"energy_per_atom":-7.171534484545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.85775866,"band_gap":1.0102000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.706000Z","spacegroup":64},{"id":"mp-754420","created_at":"2022-09-04T14:42:09.884365Z","structure_string":"Li7 Fe1 O5 F1\n1.0\n5.451758 0.000000 0.000000\n-2.445082 4.961587 0.000000\n-2.629342 -1.356055 4.835151\nLi Fe O F\n7 1 5 1\ndirect\n0.593366 0.119363 0.313903 Li\n0.873574 0.755505 0.355831 Li\n0.734267 0.490991 0.685962 Li\n0.199727 0.474462 0.322994 Li\n0.164140 0.233587 0.673070 Li\n0.420787 0.927372 0.650743 Li\n0.303209 0.663472 0.964052 Li\n0.946705 0.957990 0.973498 Fe\n0.885116 0.083740 0.242328 O\n0.862920 0.217037 0.768293 O\n0.499487 0.623285 0.755754 O\n0.180486 0.806944 0.238060 O\n0.103394 0.878642 0.761099 O\n0.512522 0.425501 0.279585 F\n","nsites":14,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":2.5828032885960996,"density_atomic":0.10704362641428267,"volume":130.7877962375535,"volume_molar":5.62587513309104,"formula_full":"Li7 Fe1 O5 F1","formula_reduced":"Li7FeO5F","formula_anonymous":"ABC5D7","energy":-77.65359158000001,"energy_per_atom":-5.546685112857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.50059158,"band_gap":0.2707,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0003779,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.448000Z","spacegroup":1},{"id":"mp-754421","created_at":"2022-09-04T14:46:21.049074Z","structure_string":"Li10 Nb4 V6 O20\n1.0\n5.236512 0.135217 0.136213\n-2.707638 2.239468 7.097798\n2.257280 -10.256924 0.558169\nLi Nb V O\n10 4 6 20\ndirect\n0.499858 0.499979 0.500026 Li\n0.500143 0.500022 0.999973 Li\n0.228538 0.403623 0.241111 Li\n0.228440 0.403679 0.741138 Li\n0.771562 0.596321 0.758862 Li\n0.771464 0.596378 0.258890 Li\n0.395831 0.786087 0.744427 Li\n0.396127 0.786248 0.244464 Li\n0.603873 0.213751 0.255535 Li\n0.604172 0.213912 0.755573 Li\n0.091087 0.676617 0.495767 Nb\n0.091315 0.676735 0.995802 Nb\n0.908687 0.323267 0.504198 Nb\n0.908914 0.323383 0.004233 Nb\n0.000015 0.999996 0.249993 V\n0.694051 0.901367 0.502473 V\n0.305954 0.098634 0.997526 V\n0.999967 0.999988 0.750014 V\n0.693940 0.901366 0.002394 V\n0.306044 0.098635 0.497605 V\n0.049372 0.854824 0.875497 O\n0.049254 0.854757 0.375474 O\n0.950747 0.145243 0.124525 O\n0.950631 0.145178 0.624502 O\n0.328203 0.937726 0.625447 O\n0.328450 0.937890 0.125523 O\n0.671551 0.062110 0.374477 O\n0.671800 0.062275 0.874552 O\n0.160933 0.545985 0.626095 O\n0.161140 0.546072 0.126048 O\n0.838861 0.453928 0.373952 O\n0.839068 0.454015 0.873904 O\n0.227489 0.246412 0.374452 O\n0.227690 0.246497 0.874414 O\n0.772313 0.753505 0.625586 O\n0.772512 0.753588 0.125547 O\n0.431832 0.655630 0.383287 O\n0.432069 0.655680 0.883260 O\n0.567932 0.344321 0.616739 O\n0.568170 0.344371 0.116713 O\n","nsites":40,"nelements":4,"elements":["Li","Nb","V","O"],"chemical_system":"Li-Nb-O-V","density":4.504283825471127,"density_atomic":0.1017198089226199,"volume":393.237073719129,"volume_molar":5.920322524967729,"formula_full":"Li10 Nb4 V6 O20","formula_reduced":"Li5Nb2V3O10","formula_anonymous":"A2B3C5D10","energy":-312.96221986,"energy_per_atom":-7.8240554965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-289.02221986,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0013541,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.570000Z","spacegroup":2},{"id":"mp-754422","created_at":"2022-09-04T14:41:27.395751Z","structure_string":"Ba4 Yb8 O16\n1.0\n3.544479 0.000000 0.000000\n0.000000 10.374066 0.000000\n0.000000 0.000000 12.115223\nBa Yb O\n4 8 16\ndirect\n0.250000 0.748447 0.654103 Ba\n0.750000 0.751553 0.154103 Ba\n0.250000 0.248447 0.845897 Ba\n0.750000 0.251553 0.345897 Ba\n0.250000 0.577964 0.391202 Yb\n0.250000 0.578964 0.892372 Yb\n0.750000 0.921036 0.392372 Yb\n0.750000 0.922036 0.891202 Yb\n0.250000 0.077964 0.108798 Yb\n0.250000 0.078964 0.607628 Yb\n0.750000 0.421036 0.107628 Yb\n0.750000 0.422036 0.608798 Yb\n0.750000 0.516206 0.277968 O\n0.250000 0.569923 0.080360 O\n0.750000 0.618469 0.517564 O\n0.750000 0.713332 0.833314 O\n0.250000 0.786668 0.333314 O\n0.250000 0.881531 0.017564 O\n0.750000 0.930077 0.580360 O\n0.250000 0.983794 0.777968 O\n0.750000 0.016206 0.222032 O\n0.250000 0.069923 0.419640 O\n0.750000 0.118469 0.982436 O\n0.750000 0.213332 0.666686 O\n0.250000 0.286668 0.166686 O\n0.250000 0.381531 0.482436 O\n0.750000 0.430077 0.919640 O\n0.250000 0.483794 0.722032 O\n","nsites":28,"nelements":3,"elements":["Ba","Yb","O"],"chemical_system":"Ba-O-Yb","density":8.161776625544965,"density_atomic":0.06285288321542545,"volume":445.48473463072884,"volume_molar":9.581327779919627,"formula_full":"Ba4 Yb8 O16","formula_reduced":"BaYb2O4","formula_anonymous":"AB2C4","energy":-177.36686963999998,"energy_per_atom":-6.334531058571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-166.37486964,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0022265,"is_theoretical":false,"updated_at":"2021-11-28T01:35:20.427000Z","spacegroup":62},{"id":"mp-754423","created_at":"2022-09-04T14:39:22.438211Z","structure_string":"Mn8 O12 F4\n1.0\n3.172182 -3.327519 0.000000\n3.172182 3.327519 0.000000\n0.000000 0.000000 12.113467\nMn O F\n8 12 4\ndirect\n0.001455 0.998545 0.624524 Mn\n0.001455 0.998545 0.375476 Mn\n0.983126 0.016874 0.125833 Mn\n0.983126 0.016874 0.874167 Mn\n0.514028 0.485972 0.000000 Mn\n0.476131 0.523869 0.500000 Mn\n0.518659 0.481341 0.250275 Mn\n0.518659 0.481341 0.749725 Mn\n0.808863 0.191137 0.250314 O\n0.802571 0.197429 0.000000 O\n0.808863 0.191137 0.749686 O\n0.304071 0.311106 0.625008 O\n0.304071 0.311106 0.374992 O\n0.310213 0.300953 0.125205 O\n0.310213 0.300953 0.874795 O\n0.688894 0.695929 0.625008 O\n0.688894 0.695929 0.374992 O\n0.699047 0.689787 0.125205 O\n0.699047 0.689787 0.874795 O\n0.188371 0.811629 0.500000 O\n0.778979 0.221021 0.500000 F\n0.210460 0.789540 0.243633 F\n0.190351 0.809649 0.000000 F\n0.210460 0.789540 0.756367 F\n","nsites":24,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.594018935789776,"density_atomic":0.09384997150591977,"volume":255.72730193622013,"volume_molar":6.416774201812242,"formula_full":"Mn8 O12 F4","formula_reduced":"Mn2O3F","formula_anonymous":"AB2C3","energy":-189.20390776,"energy_per_atom":-7.883496156666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.76790776,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.037000Z","spacegroup":38},{"id":"mp-754424","created_at":"2022-09-04T14:39:32.969258Z","structure_string":"Li4 Nb1 Ni3 O8\n1.0\n5.154252 -2.974922 0.000000\n5.154252 2.974922 0.000000\n3.437193 0.000000 4.858208\nLi Nb Ni O\n4 1 3 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.261907 0.261907 0.261907 O\n0.759639 0.241057 0.759639 O\n0.759639 0.759639 0.241057 O\n0.738093 0.738093 0.738093 O\n0.241057 0.759639 0.759639 O\n0.240361 0.758943 0.240361 O\n0.240361 0.240361 0.758943 O\n0.758943 0.240361 0.240361 O\n","nsites":16,"nelements":4,"elements":["Li","Nb","Ni","O"],"chemical_system":"Li-Nb-Ni-O","density":4.734028173355573,"density_atomic":0.1073921780943134,"volume":148.98664208066032,"volume_molar":5.607615812309224,"formula_full":"Li4 Nb1 Ni3 O8","formula_reduced":"Li4NbNi3O8","formula_anonymous":"AB3C4D8","energy":-106.52158398,"energy_per_atom":-6.65759899875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.40258398,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0000375,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.059000Z","spacegroup":166},{"id":"mp-754425","created_at":"2022-09-04T14:40:33.638543Z","structure_string":"Li2 Mn1 Cr3 O8\n1.0\n-0.003177 3.082219 -5.031511\n-5.214108 -1.564195 2.498889\n-1.693062 2.569187 5.027779\nLi Mn Cr O\n2 1 3 8\ndirect\n0.999983 0.500009 0.500000 Li\n0.999985 0.500010 0.999977 Li\n0.999973 0.999992 0.999962 Mn\n0.500109 0.000092 0.499980 Cr\n0.000025 0.999862 0.500019 Cr\n0.499941 0.000023 0.000051 Cr\n0.778046 0.796142 0.741786 O\n0.248510 0.789570 0.729468 O\n0.778038 0.796139 0.240118 O\n0.247861 0.789553 0.229156 O\n0.752116 0.210413 0.770859 O\n0.221968 0.203879 0.759904 O\n0.751470 0.210434 0.270522 O\n0.221977 0.203883 0.258200 O\n","nsites":14,"nelements":4,"elements":["Li","Mn","Cr","O"],"chemical_system":"Cr-Li-Mn-O","density":3.944179630627498,"density_atomic":0.09425462801741602,"volume":148.53382050813602,"volume_molar":6.389225533718356,"formula_full":"Li2 Mn1 Cr3 O8","formula_reduced":"Li2MnCr3O8","formula_anonymous":"AB2C3D8","energy":-112.19701015,"energy_per_atom":-8.014072153571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.03601015,"band_gap":0.2563999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.0010631,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.146000Z","spacegroup":12},{"id":"mp-754426","created_at":"2022-09-04T14:47:08.694281Z","structure_string":"Na12 Ni4 O8\n1.0\n8.541857 0.000000 0.000000\n0.000000 5.918641 0.000000\n0.000000 3.100035 7.363823\nNa Ni O\n12 4 8\ndirect\n0.786045 0.735500 0.688566 Na\n0.531999 0.239997 0.125100 Na\n0.965184 0.251701 0.999822 Na\n0.286045 0.264500 0.811434 Na\n0.968001 0.239997 0.625100 Na\n0.534816 0.251701 0.499822 Na\n0.465184 0.748299 0.500178 Na\n0.031999 0.760003 0.374900 Na\n0.713955 0.735500 0.188566 Na\n0.034816 0.748299 0.000178 Na\n0.468001 0.760003 0.874900 Na\n0.213955 0.264500 0.311434 Na\n0.172791 0.794955 0.672210 Ni\n0.672791 0.205045 0.827790 Ni\n0.327209 0.794955 0.172210 Ni\n0.827209 0.205045 0.327790 Ni\n0.039717 0.544208 0.721674 O\n0.539717 0.455792 0.778326 O\n0.686976 0.962935 0.382090 O\n0.186976 0.037065 0.117910 O\n0.813024 0.962935 0.882090 O\n0.313024 0.037065 0.617910 O\n0.460283 0.544208 0.221674 O\n0.960283 0.455792 0.278326 O\n","nsites":24,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":2.8486013729633965,"density_atomic":0.06446642778884754,"volume":372.2867983101107,"volume_molar":9.34151459380507,"formula_full":"Na12 Ni4 O8","formula_reduced":"Na3NiO2","formula_anonymous":"AB2C3","energy":-107.05139912,"energy_per_atom":-4.460474963333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.39139912,"band_gap":1.4387,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9989438,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.299000Z","spacegroup":14},{"id":"mp-754427","created_at":"2022-09-04T14:44:08.675156Z","structure_string":"Li2 Fe6 O4 F12\n1.0\n4.701766 0.000000 0.000000\n0.000000 5.605188 0.000000\n0.000000 1.015152 10.334943\nLi Fe O F\n2 6 4 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Fe\n0.991562 0.270285 0.246766 Fe\n0.491562 0.729715 0.253234 Fe\n0.000000 0.500000 0.500000 Fe\n0.508438 0.270285 0.746766 Fe\n0.008438 0.729715 0.753234 Fe\n0.694426 0.482806 0.168793 O\n0.194426 0.517194 0.331207 O\n0.805574 0.482806 0.668793 O\n0.305574 0.517194 0.831207 O\n0.198700 0.271363 0.077994 F\n0.301902 0.772578 0.075550 F\n0.793158 0.981570 0.183285 F\n0.293158 0.018430 0.316715 F\n0.801902 0.227422 0.424450 F\n0.698700 0.728637 0.422006 F\n0.301300 0.271363 0.577994 F\n0.198098 0.772578 0.575550 F\n0.706842 0.981570 0.683285 F\n0.206842 0.018430 0.816715 F\n0.698098 0.227422 0.924450 F\n0.801300 0.728637 0.922006 F\n","nsites":24,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.9075155429149144,"density_atomic":0.08811542926822603,"volume":272.37000601725805,"volume_molar":6.834377145991563,"formula_full":"Li2 Fe6 O4 F12","formula_reduced":"LiFe3(OF3)2","formula_anonymous":"AB2C3D6","energy":-156.62490896,"energy_per_atom":-6.526037873333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.79690896,"band_gap":1.7498,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9998892,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.478000Z","spacegroup":14},{"id":"mp-754428","created_at":"2022-09-04T14:40:23.647649Z","structure_string":"Na10 Li2 Mn4 P4 C4 O28\n1.0\n-0.000809 -0.009269 5.211477\n9.028555 6.859408 0.012642\n-8.928943 6.726354 -0.036584\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.754580 0.159159 0.075586 Na\n0.754596 0.659212 0.575692 Na\n0.251357 0.378795 0.123505 Na\n0.251324 0.878817 0.623574 Na\n0.754064 0.621994 0.881774 Na\n0.754116 0.121940 0.381676 Na\n0.751861 0.868997 0.127932 Na\n0.751822 0.369074 0.627939 Na\n0.242771 0.839100 0.920821 Na\n0.242783 0.339095 0.420792 Na\n0.212468 0.158955 0.872252 Li\n0.212505 0.658974 0.372231 Li\n0.779023 0.055379 0.699210 Mn\n0.223942 0.944167 0.305414 Mn\n0.779197 0.555239 0.199484 Mn\n0.223749 0.444326 0.805254 Mn\n0.708273 0.329094 0.918652 P\n0.708553 0.828892 0.418702 P\n0.300150 0.668939 0.086776 P\n0.300079 0.168959 0.586695 P\n0.734376 0.403508 0.344860 C\n0.734369 0.903574 0.844813 C\n0.261355 0.592489 0.646598 C\n0.261330 0.092492 0.146629 C\n0.279152 0.158989 0.069105 O\n0.279179 0.658994 0.569117 O\n0.961242 0.431427 0.312552 O\n0.961210 0.931463 0.812550 O\n0.532928 0.450701 0.306078 O\n0.532861 0.950709 0.806017 O\n0.821376 0.197206 0.875730 O\n0.821718 0.696932 0.376187 O\n0.774043 0.378029 0.059075 O\n0.774048 0.878057 0.559110 O\n0.408742 0.324178 0.901311 O\n0.409049 0.823935 0.401251 O\n0.182581 0.595191 0.172163 O\n0.182765 0.095168 0.672069 O\n0.820551 0.411800 0.841486 O\n0.820990 0.911481 0.341511 O\n0.599007 0.661730 0.094401 O\n0.598975 0.161813 0.594305 O\n0.214930 0.617387 0.948691 O\n0.214814 0.117358 0.448638 O\n0.216861 0.806165 0.127163 O\n0.216486 0.306132 0.627076 O\n0.467302 0.554767 0.692395 O\n0.467317 0.054844 0.192430 O\n0.037897 0.561613 0.680917 O\n0.037899 0.061614 0.180915 O\n0.708710 0.830585 0.915439 O\n0.708725 0.330564 0.415449 O\n","nsites":52,"nelements":6,"elements":["Na","Li","Mn","P","C","O"],"chemical_system":"C-Li-Mn-Na-O-P","density":2.830240027702322,"density_atomic":0.08180266835084687,"volume":635.6760854911851,"volume_molar":7.361790124218674,"formula_full":"Na10 Li2 Mn4 P4 C4 O28","formula_reduced":"Na5LiMn2P2(CO7)2","formula_anonymous":"AB2C2D2E5F14","energy":-374.09503936,"energy_per_atom":-7.194135372307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-348.18703936,"band_gap":3.0618,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9997795,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.322000Z","spacegroup":1}]}