{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=5","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=3","results":[{"id":"mp-1025490","created_at":"2022-09-04T14:41:05.294486Z","structure_string":"Tm1 U2 S3 O2\n1.0\n-1.895605 1.895605 10.515018\n1.895605 -1.895605 10.515018\n1.895605 1.895605 -10.515018\nTm U S O\n1 2 3 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.314075 0.314075 0.000000 U\n0.685925 0.685925 0.000000 U\n0.127546 0.127546 0.000000 S\n0.872454 0.872454 0.000000 S\n0.500000 0.500000 0.000000 S\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n","nsites":8,"nelements":4,"elements":["Tm","U","S","O"],"chemical_system":"O-S-Tm-U","density":8.495076238474084,"density_atomic":0.052932728881181446,"volume":151.13522709093024,"volume_molar":11.376970141701841,"formula_full":"Tm1 U2 S3 O2","formula_reduced":"TmU2S3O2","formula_anonymous":"AB2C2D3","energy":-70.91553653999999,"energy_per_atom":-8.864442067499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.03253654,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.8410896,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.408000Z","spacegroup":139},{"id":"mp-759670","created_at":"2022-09-04T14:41:05.331450Z","structure_string":"Ni6 O1 F11\n1.0\n3.331074 -9.953363 0.000000\n3.331074 9.953363 0.000000\n0.000000 0.000000 3.084903\nNi O F\n6 1 11\ndirect\n0.000613 0.999387 0.000000 Ni\n0.497874 0.502126 0.500000 Ni\n0.168296 0.831704 0.500000 Ni\n0.337303 0.662697 0.000000 Ni\n0.664952 0.335048 0.000000 Ni\n0.832532 0.167468 0.500000 Ni\n0.398415 0.601585 0.500000 O\n0.066377 0.933623 0.500000 F\n0.698005 0.698551 0.000000 F\n0.637637 0.971132 0.000000 F\n0.301449 0.301995 0.000000 F\n0.970366 0.636153 0.000000 F\n0.599392 0.400608 0.500000 F\n0.269165 0.730835 0.500000 F\n0.730963 0.269037 0.500000 F\n0.028868 0.362363 0.000000 F\n0.363847 0.029634 0.000000 F\n0.934200 0.065800 0.500000 F\n","nsites":18,"nelements":3,"elements":["Ni","O","F"],"chemical_system":"F-Ni-O","density":4.684964692395979,"density_atomic":0.08799274636308858,"volume":204.5623161450804,"volume_molar":6.8439059000960825,"formula_full":"Ni6 O1 F11","formula_reduced":"Ni6OF11","formula_anonymous":"AB6C11","energy":-99.46001895,"energy_per_atom":-5.525556608333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.44501895,"band_gap":0.5209000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0032282,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.551000Z","spacegroup":38},{"id":"mp-867164","created_at":"2022-09-04T14:41:05.335763Z","structure_string":"Pm3 Sn1\n1.0\n4.933443 0.000000 0.000000\n0.000000 4.933443 0.000000\n0.000000 0.000000 4.933443\nPm Sn\n3 1\ndirect\n0.500000 0.000000 0.000000 Pm\n0.000000 0.500000 0.000000 Pm\n0.000000 0.000000 0.500000 Pm\n0.500000 0.500000 0.500000 Sn\n","nsites":4,"nelements":2,"elements":["Pm","Sn"],"chemical_system":"Pm-Sn","density":7.657396226849146,"density_atomic":0.03331268566514199,"volume":120.07437767725686,"volume_molar":18.077620101046065,"formula_full":"Pm3 Sn1","formula_reduced":"Pm3Sn","formula_anonymous":"AB3","energy":-20.0050189,"energy_per_atom":-5.001254725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.0050189,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7697622,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.171000Z","spacegroup":221},{"id":"mp-20426","created_at":"2022-09-04T14:41:07.843824Z","structure_string":"Fe4 As2\n1.0\n3.663818 0.000000 0.000000\n0.000000 3.663818 0.000000\n0.000000 0.000000 5.808705\nFe As\n4 2\ndirect\n0.000000 0.500000 0.682241 Fe\n0.500000 0.000000 0.317759 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.265104 As\n0.500000 0.000000 0.734896 As\n","nsites":6,"nelements":2,"elements":["Fe","As"],"chemical_system":"As-Fe","density":7.948233637648245,"density_atomic":0.07694920644133454,"volume":77.97351366546387,"volume_molar":7.826124580753449,"formula_full":"Fe4 As2","formula_reduced":"Fe2As","formula_anonymous":"AB2","energy":-43.60811457,"energy_per_atom":-7.268019095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.60811457,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.5367809,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.619000Z","spacegroup":129},{"id":"mp-1044851","created_at":"2022-09-04T14:41:05.299461Z","structure_string":"Mg4 Sn8 P8 O32\n1.0\n5.248305 -0.002927 0.879610\n2.574304 9.247156 0.706406\n-0.043148 -0.488700 16.336940\nMg Sn P O\n4 8 8 32\ndirect\n0.377618 0.852533 0.844980 Mg\n0.077112 0.646509 0.654570 Mg\n0.922432 0.353680 0.343730 Mg\n0.620272 0.145944 0.154748 Mg\n0.196227 0.197275 0.987534 Sn\n0.383830 0.299622 0.511553 Sn\n0.802223 0.796940 0.011612 Sn\n0.497960 0.495686 0.999256 Sn\n0.615281 0.701033 0.488105 Sn\n0.650101 0.750481 0.251030 Sn\n0.348330 0.249427 0.749721 Sn\n0.997227 0.004174 0.501318 Sn\n0.090518 0.587186 0.861740 P\n0.697467 0.437802 0.621764 P\n0.907611 0.412846 0.137124 P\n0.241628 0.937518 0.121727 P\n0.454626 0.086772 0.361857 P\n0.542793 0.912822 0.638051 P\n0.304400 0.559568 0.377713 P\n0.757188 0.060620 0.877558 P\n0.740051 0.318566 0.106766 O\n0.631284 0.929109 0.900361 O\n0.833389 0.818568 0.606447 O\n0.754122 0.320034 0.552668 O\n0.179118 0.376969 0.073383 O\n0.606130 0.381186 0.707563 O\n0.627250 0.178196 0.946789 O\n0.943369 0.990362 0.121839 O\n0.249648 0.677049 0.446566 O\n0.462902 0.569327 0.599047 O\n0.763017 0.573861 0.126199 O\n0.556037 0.129332 0.274535 O\n0.367455 0.069328 0.098710 O\n0.943575 0.490495 0.620949 O\n0.250025 0.683957 0.893807 O\n0.242670 0.427091 0.873138 O\n0.036494 0.630915 0.774303 O\n0.369033 0.820334 0.052489 O\n0.540734 0.073817 0.627008 O\n0.445340 0.867897 0.725211 O\n0.056614 0.508211 0.378868 O\n0.366657 0.878589 0.575270 O\n0.055175 0.008905 0.877948 O\n0.306098 0.881415 0.207409 O\n0.538006 0.427244 0.400317 O\n0.164842 0.182886 0.392291 O\n0.967160 0.367693 0.223895 O\n0.630041 0.120791 0.424985 O\n0.816622 0.619935 0.923958 O\n0.694450 0.117077 0.791809 O\n0.398096 0.614460 0.291596 O\n0.452509 0.926532 0.373865 O\n","nsites":52,"nelements":4,"elements":["Mg","Sn","P","O"],"chemical_system":"Mg-O-P-Sn","density":3.7781975088568216,"density_atomic":0.06548771767642186,"volume":794.0420256655552,"volume_molar":9.195832399833666,"formula_full":"Mg4 Sn8 P8 O32","formula_reduced":"MgSn2(PO4)2","formula_anonymous":"AB2C2D8","energy":-369.17031828,"energy_per_atom":-7.099429197692308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-347.18631828,"band_gap":2.5398999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006234,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.620000Z","spacegroup":5},{"id":"mp-1079916","created_at":"2022-09-04T14:41:05.302129Z","structure_string":"Dy2 In4 Ni2\n1.0\n2.147630 -5.222658 0.000000\n2.147630 5.222658 0.000000\n0.000000 0.000000 7.496319\nDy In Ni\n2 4 2\ndirect\n0.566139 0.433861 0.250000 Dy\n0.433861 0.566139 0.750000 Dy\n0.855800 0.144200 0.449809 In\n0.144200 0.855800 0.550191 In\n0.855800 0.144200 0.050191 In\n0.144200 0.855800 0.949809 In\n0.281767 0.718233 0.250000 Ni\n0.718233 0.281767 0.750000 Ni\n","nsites":8,"nelements":3,"elements":["Dy","In","Ni"],"chemical_system":"Dy-In-Ni","density":8.903529843042783,"density_atomic":0.04757303760064778,"volume":168.162480335102,"volume_molar":12.658726589108953,"formula_full":"Dy2 In4 Ni2","formula_reduced":"DyIn2Ni","formula_anonymous":"ABC2","energy":-35.17502975,"energy_per_atom":-4.39687871875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.17502975,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.9e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.649000Z","spacegroup":63},{"id":"mp-556968","created_at":"2022-09-04T14:41:05.305421Z","structure_string":"Rb8 Na24 Sn8 O32\n1.0\n-6.483256 6.483256 7.630935\n6.483256 -6.483256 7.630935\n6.483256 6.483256 -7.630935\nRb Na Sn O\n8 24 8 32\ndirect\n0.944972 0.939328 0.467070 Rb\n0.227902 0.194972 0.505644 Rb\n0.472258 0.477902 0.532930 Rb\n0.060672 0.527742 0.005644 Rb\n0.805028 0.310672 0.032930 Rb\n0.522098 0.055028 0.994356 Rb\n0.277742 0.772098 0.967070 Rb\n0.689328 0.722258 0.494356 Rb\n0.029782 0.658843 0.310397 Na\n0.667308 0.800593 0.860040 Na\n0.557268 0.917308 0.366715 Na\n0.408843 0.598446 0.129060 Na\n0.809447 0.442732 0.360040 Na\n0.840172 0.159991 0.363885 Na\n0.401554 0.530615 0.810397 Na\n0.909828 0.090009 0.136115 Na\n0.280615 0.970218 0.629060 Na\n0.192732 0.332692 0.133285 Na\n0.082692 0.449407 0.639960 Na\n0.840009 0.203894 0.680181 Na\n0.909991 0.046106 0.819819 Na\n0.796106 0.476287 0.636115 Na\n0.940553 0.807268 0.139960 Na\n0.953894 0.773713 0.863885 Na\n0.469385 0.279782 0.870940 Na\n0.199407 0.059447 0.866715 Na\n0.550593 0.190553 0.633285 Na\n0.720218 0.591157 0.189603 Na\n0.341157 0.651554 0.370940 Na\n0.348446 0.719385 0.689603 Na\n0.523713 0.159828 0.319819 Na\n0.226287 0.090172 0.180181 Na\n0.642614 0.856213 0.139488 Sn\n0.253126 0.892614 0.286402 Sn\n0.716725 0.503126 0.860512 Sn\n0.143787 0.283275 0.786402 Sn\n0.107386 0.393787 0.360512 Sn\n0.606213 0.966725 0.713598 Sn\n0.033275 0.746874 0.639488 Sn\n0.496874 0.357386 0.213598 Sn\n0.830437 0.941176 0.190273 O\n0.600088 0.372018 0.120610 O\n0.235954 0.162391 0.745122 O\n0.332731 0.759168 0.245122 O\n0.359836 0.169563 0.110740 O\n0.058824 0.249096 0.889260 O\n0.837609 0.582731 0.073563 O\n0.520522 0.399912 0.771931 O\n0.691176 0.000904 0.610740 O\n0.149912 0.877982 0.379390 O\n0.764473 0.019364 0.903799 O\n0.498591 0.770522 0.620610 O\n0.251409 0.479478 0.879390 O\n0.999096 0.609836 0.690273 O\n0.240832 0.485954 0.573563 O\n0.769364 0.365565 0.754891 O\n0.750904 0.640164 0.809727 O\n0.980636 0.884435 0.745109 O\n0.115565 0.860674 0.096201 O\n0.919563 0.308824 0.309727 O\n0.912391 0.667269 0.426437 O\n0.634435 0.389326 0.403799 O\n0.610674 0.014473 0.245109 O\n0.139326 0.235527 0.254891 O\n0.229478 0.850088 0.728069 O\n0.627982 0.748591 0.228069 O\n0.509168 0.764046 0.926437 O\n0.985527 0.230636 0.596201 O\n0.417269 0.490832 0.254878 O\n0.122018 0.501409 0.271931 O\n0.390164 0.080437 0.389260 O\n0.514046 0.087609 0.754878 O\n","nsites":72,"nelements":4,"elements":["Rb","Na","Sn","O"],"chemical_system":"Na-O-Rb-Sn","density":3.490851259747979,"density_atomic":0.05611880435655688,"volume":1282.9924091493508,"volume_molar":10.73105678042903,"formula_full":"Rb8 Na24 Sn8 O32","formula_reduced":"RbNa3SnO4","formula_anonymous":"ABC3D4","energy":-363.79190055,"energy_per_atom":-5.0526652854166665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-341.80790055,"band_gap":2.5699,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:13.200000Z","spacegroup":88},{"id":"mp-1189372","created_at":"2022-09-04T14:41:05.315111Z","structure_string":"Te2 H4 N2 F10\n1.0\n9.439133 0.000000 0.000000\n0.000000 5.386956 0.000000\n0.000000 2.024224 5.071754\nTe H N F\n2 4 2 10\ndirect\n0.146756 0.481858 0.251308 Te\n0.646756 0.518142 0.748692 Te\n0.320363 0.105545 0.423665 H\n0.820363 0.894455 0.576335 H\n0.276374 0.214026 0.663031 H\n0.776374 0.785974 0.336969 H\n0.305041 0.273462 0.468086 N\n0.805041 0.726538 0.531914 N\n0.272601 0.727454 0.015790 F\n0.772601 0.272546 0.984210 F\n0.138376 0.696190 0.456839 F\n0.638376 0.303810 0.543161 F\n0.003760 0.699563 0.038706 F\n0.503760 0.300437 0.961294 F\n0.146348 0.286090 0.025617 F\n0.646348 0.713910 0.974383 F\n0.995781 0.268063 0.448802 F\n0.495781 0.731937 0.551198 F\n","nsites":18,"nelements":4,"elements":["Te","H","N","F"],"chemical_system":"F-H-N-Te","density":3.0728572450423917,"density_atomic":0.06979732700125132,"volume":257.889532068718,"volume_molar":8.6280392369353,"formula_full":"Te2 H4 N2 F10","formula_reduced":"TeH2NF5","formula_anonymous":"ABC2D5","energy":-85.63218075,"energy_per_atom":-4.7573433750000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.29018075,"band_gap":2.724,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003538,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.992000Z","spacegroup":4},{"id":"mp-28327","created_at":"2022-09-04T14:41:05.319544Z","structure_string":"Li4 Ga4 Br12\n1.0\n10.620692 0.000000 0.000000\n0.000000 6.696748 0.000000\n0.000000 0.521041 8.139741\nLi Ga Br\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.250000 0.030471 0.961932 Ga\n0.750000 0.865188 0.757093 Ga\n0.750000 0.969529 0.038068 Ga\n0.250000 0.134812 0.242907 Ga\n0.569243 0.666232 0.686021 Br\n0.430757 0.333768 0.313979 Br\n0.930757 0.666232 0.686021 Br\n0.750000 0.327459 0.069017 Br\n0.069766 0.176466 0.812259 Br\n0.569766 0.823534 0.187741 Br\n0.930234 0.823534 0.187741 Br\n0.430234 0.176466 0.812259 Br\n0.069243 0.333768 0.313979 Br\n0.750000 0.130192 0.540882 Br\n0.250000 0.869808 0.459118 Br\n0.250000 0.672541 0.930983 Br\n","nsites":20,"nelements":3,"elements":["Li","Ga","Br"],"chemical_system":"Br-Ga-Li","density":3.629821446701195,"density_atomic":0.034546387357535874,"volume":578.9317358429157,"volume_molar":17.432042018385882,"formula_full":"Li4 Ga4 Br12","formula_reduced":"LiGaBr3","formula_anonymous":"ABC3","energy":-67.78024497,"energy_per_atom":-3.3890122485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.37224497,"band_gap":2.8538,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.17e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.829000Z","spacegroup":11},{"id":"mp-1120717","created_at":"2022-09-04T14:41:05.322318Z","structure_string":"V6 Bi2\n1.0\n5.026607 0.000000 0.000000\n0.000000 5.026607 0.000000\n0.000000 0.000000 5.026607\nV Bi\n6 2\ndirect\n0.500000 0.250000 0.000000 V\n0.500000 0.750000 0.000000 V\n0.250000 0.000000 0.500000 V\n0.750000 0.000000 0.500000 V\n0.000000 0.500000 0.250000 V\n0.000000 0.500000 0.750000 V\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n","nsites":8,"nelements":2,"elements":["V","Bi"],"chemical_system":"Bi-V","density":9.460819185223913,"density_atomic":0.0629890693664083,"volume":127.0061628226937,"volume_molar":9.560612373821755,"formula_full":"V6 Bi2","formula_reduced":"V3Bi","formula_anonymous":"AB3","energy":-61.01697775,"energy_per_atom":-7.62712221875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.01697775,"band_gap":0.1071999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007756,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.408000Z","spacegroup":223},{"id":"mp-1236059","created_at":"2022-09-04T14:41:05.326631Z","structure_string":"Li1 Mn2 Fe2 P4 O16\n1.0\n9.934122 -0.000021 0.041398\n-0.000013 5.989515 -0.000029\n0.019788 -0.000024 4.979787\nLi Mn Fe P O\n1 2 2 4 16\ndirect\n0.941806 0.249999 0.935082 Li\n0.217590 0.750001 0.427543 Mn\n0.288677 0.250000 0.920384 Mn\n0.722571 0.749998 0.054516 Fe\n0.762157 0.249988 0.519233 Fe\n0.100496 0.250000 0.407339 P\n0.401804 0.749999 0.907618 P\n0.592302 0.250003 0.072268 P\n0.905545 0.749999 0.619483 P\n0.060038 0.750000 0.652848 O\n0.116447 0.250000 0.718217 O\n0.172634 0.048496 0.269328 O\n0.172634 0.451505 0.269329 O\n0.329597 0.549355 0.765756 O\n0.329597 0.950645 0.765754 O\n0.377946 0.750001 0.214662 O\n0.440158 0.249999 0.148803 O\n0.553184 0.750002 0.851885 O\n0.608187 0.250004 0.770198 O\n0.663991 0.047273 0.213461 O\n0.663990 0.452738 0.213456 O\n0.842995 0.545854 0.776988 O\n0.842995 0.954143 0.776985 O\n0.867189 0.750003 0.323256 O\n0.950472 0.249999 0.335415 O\n","nsites":25,"nelements":5,"elements":["Li","Mn","Fe","P","O"],"chemical_system":"Fe-Li-Mn-O-P","density":3.409637859437847,"density_atomic":0.08437529166924006,"volume":296.2952720566894,"volume_molar":7.137327339391512,"formula_full":"Li1 Mn2 Fe2 P4 O16","formula_reduced":"LiMn2Fe2(PO4)4","formula_anonymous":"AB2C2D4E16","energy":-198.01548753,"energy_per_atom":-7.9206195012,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.17548753,"band_gap":0.4716999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.9956182,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.698000Z","spacegroup":6},{"id":"mp-26192","created_at":"2022-09-04T14:41:05.207131Z","structure_string":"Li2 Ni4 P10 O32\n1.0\n18.462403 0.000000 -0.361424\n0.000000 6.812889 0.000000\n0.014480 0.000000 5.036443\nLi Ni P O\n2 4 10 32\ndirect\n0.968143 0.644185 0.735719 Li\n0.468143 0.355815 0.735719 Li\n0.092915 0.814220 0.261091 Ni\n0.592915 0.185780 0.261091 Ni\n0.406540 0.819938 0.738535 Ni\n0.906540 0.180062 0.738535 Ni\n0.128027 0.536930 0.743802 P\n0.249998 0.752795 0.005634 P\n0.628027 0.463070 0.743802 P\n0.418699 0.126058 0.227560 P\n0.581323 0.873321 0.773889 P\n0.081323 0.126679 0.773889 P\n0.371768 0.532735 0.251015 P\n0.749998 0.247205 0.005634 P\n0.918699 0.873942 0.227560 P\n0.871768 0.467265 0.251015 P\n0.290187 0.605246 0.209302 O\n0.571579 0.940596 0.061521 O\n0.511481 0.787640 0.656767 O\n0.117009 0.974662 0.600572 O\n0.303861 0.865131 0.845664 O\n0.883241 0.036209 0.384654 O\n0.112758 0.562701 0.449599 O\n0.011481 0.212360 0.656767 O\n0.358770 0.302671 0.208107 O\n0.612758 0.437299 0.449599 O\n0.617009 0.025338 0.600572 O\n0.432646 0.082150 0.933861 O\n0.572687 0.368811 0.922920 O\n0.071579 0.059404 0.061521 O\n0.858770 0.697329 0.208107 O\n0.422206 0.613864 0.046079 O\n0.638396 0.691929 0.798990 O\n0.195846 0.867105 0.160266 O\n0.932646 0.917850 0.933861 O\n0.709185 0.398209 0.809346 O\n0.383241 0.963791 0.384654 O\n0.072687 0.631189 0.922920 O\n0.695846 0.132895 0.160266 O\n0.393126 0.556928 0.541471 O\n0.485612 0.211324 0.373656 O\n0.985612 0.788675 0.373656 O\n0.893126 0.443072 0.541471 O\n0.790187 0.394754 0.209302 O\n0.922206 0.386136 0.046079 O\n0.803861 0.134869 0.845664 O\n0.209185 0.601791 0.809346 O\n0.138396 0.308071 0.798990 O\n","nsites":48,"nelements":4,"elements":["Li","Ni","P","O"],"chemical_system":"Li-Ni-O-P","density":2.805541850063329,"density_atomic":0.07576582070625755,"volume":633.5310507107811,"volume_molar":7.9483607566896275,"formula_full":"Li2 Ni4 P10 O32","formula_reduced":"LiNi2P5O16","formula_anonymous":"AB2C5D16","energy":-348.68177008000004,"energy_per_atom":-7.264203543333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-316.53377008,"band_gap":0.3856,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.4323426,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.993000Z","spacegroup":7}]}