{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=30","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=28","results":[{"id":"mp-771033","created_at":"2022-09-04T14:41:59.399875Z","structure_string":"Tb8 W4 O24\n1.0\n5.306001 0.000000 0.000000\n0.000000 9.184155 0.000000\n0.000000 0.000000 10.039810\nTb W O\n8 4 24\ndirect\n0.020020 0.396743 0.034778 Tb\n0.037603 0.280860 0.628727 Tb\n0.462397 0.719140 0.128727 Tb\n0.479980 0.603257 0.534778 Tb\n0.520020 0.103257 0.965222 Tb\n0.537603 0.219140 0.371273 Tb\n0.962397 0.780860 0.871273 Tb\n0.979980 0.896743 0.465222 Tb\n0.039542 0.004502 0.152126 W\n0.460458 0.995498 0.652126 W\n0.539542 0.495498 0.847874 W\n0.960458 0.504502 0.347874 W\n0.084405 0.656301 0.469637 O\n0.174990 0.547596 0.202627 O\n0.181835 0.861822 0.680920 O\n0.192305 0.859964 0.264162 O\n0.230560 0.385931 0.432760 O\n0.251269 0.089758 0.506846 O\n0.248731 0.910242 0.006846 O\n0.269440 0.614069 0.932760 O\n0.307695 0.140036 0.764162 O\n0.318165 0.138178 0.180920 O\n0.325010 0.452404 0.702627 O\n0.415595 0.343699 0.969637 O\n0.584405 0.843699 0.530363 O\n0.674990 0.952404 0.797373 O\n0.681835 0.638178 0.319080 O\n0.692305 0.640036 0.735838 O\n0.730560 0.114069 0.567240 O\n0.751269 0.410243 0.493154 O\n0.748731 0.589758 0.993154 O\n0.769440 0.885931 0.067240 O\n0.807695 0.359964 0.235838 O\n0.818165 0.361822 0.819080 O\n0.825010 0.047596 0.297373 O\n0.915595 0.156301 0.030363 O\n","nsites":36,"nelements":3,"elements":["Tb","W","O"],"chemical_system":"O-Tb-W","density":8.114297847616967,"density_atomic":0.07358181135483957,"volume":489.25134265034956,"volume_molar":8.184279034609435,"formula_full":"Tb8 W4 O24","formula_reduced":"Tb2WO6","formula_anonymous":"AB2C6","energy":-326.66145886,"energy_per_atom":-9.073929412777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-292.42145886,"band_gap":3.5371999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.733000Z","spacegroup":19},{"id":"mp-21799","created_at":"2022-09-04T14:41:59.774663Z","structure_string":"Ta40 P24\n1.0\n3.417567 0.000000 0.000000\n0.000000 11.552805 0.000000\n0.000000 0.000000 25.529446\nTa P\n40 24\ndirect\n0.250000 0.878543 0.724564 Ta\n0.750000 0.443639 0.652595 Ta\n0.750000 0.056361 0.152595 Ta\n0.250000 0.943639 0.847405 Ta\n0.250000 0.691092 0.455069 Ta\n0.750000 0.308908 0.544931 Ta\n0.750000 0.191092 0.044931 Ta\n0.250000 0.808908 0.955069 Ta\n0.250000 0.556361 0.347405 Ta\n0.750000 0.584274 0.536924 Ta\n0.750000 0.915726 0.036924 Ta\n0.250000 0.084274 0.963076 Ta\n0.250000 0.108117 0.499941 Ta\n0.750000 0.891883 0.500059 Ta\n0.750000 0.608117 0.000059 Ta\n0.250000 0.391883 0.999941 Ta\n0.250000 0.543692 0.823261 Ta\n0.750000 0.456308 0.176739 Ta\n0.750000 0.043692 0.676739 Ta\n0.250000 0.956308 0.323261 Ta\n0.250000 0.155596 0.760732 Ta\n0.750000 0.844404 0.239268 Ta\n0.750000 0.655596 0.739268 Ta\n0.250000 0.344404 0.260732 Ta\n0.250000 0.415726 0.463076 Ta\n0.750000 0.121457 0.275436 Ta\n0.750000 0.378543 0.775436 Ta\n0.250000 0.621457 0.224564 Ta\n0.250000 0.658420 0.638088 Ta\n0.750000 0.341580 0.361912 Ta\n0.750000 0.158420 0.861912 Ta\n0.250000 0.841580 0.138088 Ta\n0.250000 0.215788 0.624582 Ta\n0.750000 0.784212 0.375418 Ta\n0.750000 0.715788 0.875418 Ta\n0.250000 0.284212 0.124582 Ta\n0.250000 0.935280 0.599403 Ta\n0.750000 0.064720 0.400597 Ta\n0.750000 0.435280 0.900597 Ta\n0.250000 0.564720 0.099403 Ta\n0.250000 0.586373 0.926670 P\n0.750000 0.413627 0.073330 P\n0.750000 0.086373 0.573330 P\n0.250000 0.913627 0.426670 P\n0.250000 0.316025 0.843892 P\n0.750000 0.683975 0.156108 P\n0.750000 0.816025 0.656108 P\n0.250000 0.183975 0.343892 P\n0.250000 0.755198 0.802077 P\n0.750000 0.244802 0.197923 P\n0.750000 0.255198 0.697923 P\n0.250000 0.744802 0.302077 P\n0.250000 0.497850 0.721066 P\n0.750000 0.502150 0.278934 P\n0.750000 0.997850 0.778934 P\n0.250000 0.002150 0.221066 P\n0.250000 0.449739 0.577898 P\n0.750000 0.550261 0.422102 P\n0.750000 0.949739 0.922102 P\n0.250000 0.050261 0.077898 P\n0.250000 0.751050 0.549193 P\n0.750000 0.248950 0.450807 P\n0.750000 0.251050 0.950807 P\n0.250000 0.748950 0.049193 P\n","nsites":64,"nelements":2,"elements":["Ta","P"],"chemical_system":"P-Ta","density":13.14849580566544,"density_atomic":0.06349420692826661,"volume":1007.965971955596,"volume_molar":9.484551506885644,"formula_full":"Ta40 P24","formula_reduced":"Ta5P3","formula_anonymous":"A3B5","energy":-652.65294718,"energy_per_atom":-10.1977022996875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-652.65294718,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037593,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.932000Z","spacegroup":62},{"id":"mp-693340","created_at":"2022-09-04T14:41:58.907406Z","structure_string":"Al4 Zn4 P8 H13 N3 O32\n1.0\n9.002909 0.000000 0.000000\n-1.370540 -9.392761 0.000000\n-1.242302 0.131235 -9.418411\nAl Zn P H N O\n4 4 8 13 3 32\ndirect\n0.064849 0.205720 0.950352 Al\n0.387079 0.569432 0.685672 Al\n0.611669 0.432375 0.310460 Al\n0.889236 0.690306 0.579294 Al\n0.126501 0.317052 0.445822 Zn\n0.448183 0.042577 0.795190 Zn\n0.559051 0.957015 0.207774 Zn\n0.935962 0.779350 0.027641 Zn\n0.094142 0.917514 0.789237 P\n0.036446 0.432234 0.711376 P\n0.472546 0.293114 0.562630 P\n0.584414 0.782695 0.914574 P\n0.411582 0.209436 0.084244 P\n0.547049 0.706895 0.445006 P\n0.956177 0.558043 0.295680 P\n0.918014 0.074971 0.199677 P\n0.255470 0.636447 0.983615 H\n0.175939 0.591616 0.131253 H\n0.147855 0.093432 0.320083 H\n0.270851 0.475368 0.057424 H\n0.369151 0.624951 0.135898 H\n0.623210 0.377225 0.873506 H\n0.719556 0.538016 0.937731 H\n0.778067 0.975872 0.625879 H\n0.675893 0.111361 0.591748 H\n0.813662 0.411501 0.879583 H\n0.736228 0.383353 0.028971 H\n0.769525 0.051781 0.464194 H\n0.869227 0.142075 0.605658 H\n0.268131 0.581934 0.077314 N\n0.722477 0.427072 0.929929 N\n0.773607 0.069491 0.572009 N\n0.102179 0.813270 0.913555 O\n0.016414 0.363614 0.859257 O\n0.036661 0.057316 0.835875 O\n0.006143 0.310456 0.601443 O\n0.052306 0.127688 0.332944 O\n0.089279 0.475373 0.333956 O\n0.196312 0.516581 0.713469 O\n0.244429 0.954457 0.731545 O\n0.250327 0.254825 0.038039 O\n0.322013 0.262440 0.465327 O\n0.410107 0.663265 0.528209 O\n0.461962 0.659970 0.843588 O\n0.467616 0.410728 0.676158 O\n0.485640 0.183170 0.952293 O\n0.600249 0.912867 0.817842 O\n0.541810 0.854618 0.385825 O\n0.520455 0.161794 0.640104 O\n0.399382 0.081850 0.184104 O\n0.532642 0.815417 0.057167 O\n0.538702 0.595337 0.322571 O\n0.505202 0.345338 0.160312 O\n0.601311 0.344049 0.471652 O\n0.693910 0.699653 0.550443 O\n0.733456 0.715789 0.934318 O\n0.769475 0.075515 0.258912 O\n0.801369 0.456944 0.277711 O\n0.920306 0.538288 0.685100 O\n0.971230 0.851089 0.665966 O\n0.951834 0.670652 0.413389 O\n0.958278 0.933517 0.160381 O\n0.982824 0.624955 0.152712 O\n0.937729 0.186252 0.080311 O\n","nsites":64,"nelements":6,"elements":["Al","Zn","P","H","N","O"],"chemical_system":"Al-H-N-O-P-Zn","density":2.4695305046139016,"density_atomic":0.08035746051507252,"volume":796.4412960511069,"volume_molar":7.494189987338434,"formula_full":"Al4 Zn4 P8 H13 N3 O32","formula_reduced":"Al4Zn4P8H13N3O32","formula_anonymous":"A3B4C4D8E13F32","energy":-433.35944626,"energy_per_atom":-6.7712413478125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-410.29244626,"band_gap":4.1775,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001412,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.821000Z","spacegroup":1},{"id":"mp-1193937","created_at":"2022-09-04T14:41:59.398794Z","structure_string":"Yb8 Pb4 Se16\n1.0\n0.000000 -4.359468 0.000000\n-12.291307 0.000000 0.000000\n0.000000 0.000000 -15.651772\nYb Pb Se\n8 4 16\ndirect\n0.750000 0.008428 0.130216 Yb\n0.750000 0.508428 0.369784 Yb\n0.250000 0.991572 0.869784 Yb\n0.250000 0.491572 0.630216 Yb\n0.750000 0.140873 0.591822 Yb\n0.750000 0.640873 0.908178 Yb\n0.250000 0.859127 0.408178 Yb\n0.250000 0.359127 0.091822 Yb\n0.750000 0.685401 0.189305 Pb\n0.750000 0.185401 0.310695 Pb\n0.250000 0.314599 0.810695 Pb\n0.250000 0.814599 0.689305 Pb\n0.750000 0.342353 0.675755 Se\n0.750000 0.842353 0.824245 Se\n0.250000 0.657647 0.324245 Se\n0.250000 0.157647 0.175755 Se\n0.750000 0.312492 0.959059 Se\n0.750000 0.812492 0.540941 Se\n0.250000 0.687508 0.040941 Se\n0.250000 0.187508 0.459059 Se\n0.750000 0.456286 0.182617 Se\n0.750000 0.956286 0.317383 Se\n0.250000 0.543714 0.817383 Se\n0.250000 0.043714 0.682617 Se\n0.750000 0.116194 0.954807 Se\n0.750000 0.616194 0.545193 Se\n0.250000 0.883806 0.045193 Se\n0.250000 0.383806 0.454807 Se\n","nsites":28,"nelements":3,"elements":["Yb","Pb","Se"],"chemical_system":"Pb-Se-Yb","density":6.883253424569188,"density_atomic":0.03338588999986517,"volume":838.6776569416924,"volume_molar":18.037981794178084,"formula_full":"Yb8 Pb4 Se16","formula_reduced":"Yb2PbSe4","formula_anonymous":"AB2C4","energy":-123.85194373,"energy_per_atom":-4.4232837046428575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.29994373,"band_gap":1.2689,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008462,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.271000Z","spacegroup":62},{"id":"mp-779594","created_at":"2022-09-04T14:41:59.427152Z","structure_string":"Zn16 As16 O56\n1.0\n5.277820 0.000000 0.000000\n0.000000 14.142686 0.000000\n0.000000 0.000000 16.968316\nZn As O\n16 16 56\ndirect\n0.089371 0.450711 0.085947 Zn\n0.089371 0.049289 0.585947 Zn\n0.089371 0.450711 0.414053 Zn\n0.089371 0.049289 0.914053 Zn\n0.313352 0.246143 0.156174 Zn\n0.313352 0.246143 0.343826 Zn\n0.313352 0.253857 0.656174 Zn\n0.313352 0.253857 0.843826 Zn\n0.686648 0.746143 0.156174 Zn\n0.686648 0.746143 0.343826 Zn\n0.686648 0.753857 0.656174 Zn\n0.686648 0.753857 0.843826 Zn\n0.910629 0.950711 0.085947 Zn\n0.910629 0.950711 0.414053 Zn\n0.910629 0.549289 0.585947 Zn\n0.910629 0.549289 0.914053 Zn\n0.033008 0.058553 0.250000 As\n0.033008 0.441447 0.750000 As\n0.177660 0.848244 0.250000 As\n0.177660 0.651756 0.750000 As\n0.421479 0.641395 0.004147 As\n0.421479 0.641395 0.495853 As\n0.421479 0.858605 0.504147 As\n0.421479 0.858605 0.995853 As\n0.578521 0.141395 0.004147 As\n0.578521 0.141395 0.495853 As\n0.578521 0.358605 0.504147 As\n0.578521 0.358605 0.995853 As\n0.822340 0.348244 0.250000 As\n0.822340 0.151756 0.750000 As\n0.966992 0.558553 0.250000 As\n0.966992 0.941447 0.750000 As\n0.008118 0.831565 0.164854 O\n0.008118 0.831565 0.335146 O\n0.008118 0.668435 0.664854 O\n0.008118 0.668435 0.835146 O\n0.134941 0.547422 0.165918 O\n0.134941 0.547422 0.334082 O\n0.134941 0.952578 0.665918 O\n0.134941 0.952578 0.834082 O\n0.195447 0.944819 0.004612 O\n0.195447 0.555181 0.504612 O\n0.195447 0.944819 0.495388 O\n0.195447 0.555181 0.995388 O\n0.191292 0.164230 0.250000 O\n0.191292 0.335770 0.750000 O\n0.278182 0.531897 0.750000 O\n0.278182 0.968103 0.250000 O\n0.244016 0.750000 0.000000 O\n0.244016 0.750000 0.500000 O\n0.400031 0.139619 0.086360 O\n0.400031 0.139619 0.413640 O\n0.400031 0.360381 0.586360 O\n0.400031 0.360381 0.913640 O\n0.391218 0.139102 0.579170 O\n0.391218 0.360898 0.079170 O\n0.391218 0.139102 0.920830 O\n0.391218 0.360898 0.420830 O\n0.455894 0.786743 0.250000 O\n0.455894 0.713257 0.750000 O\n0.544106 0.213257 0.750000 O\n0.544106 0.286743 0.250000 O\n0.608782 0.639102 0.579170 O\n0.608782 0.860898 0.079170 O\n0.608782 0.639102 0.920830 O\n0.608782 0.860898 0.420830 O\n0.599970 0.639619 0.086360 O\n0.599970 0.639619 0.413640 O\n0.599970 0.860381 0.586360 O\n0.599970 0.860381 0.913640 O\n0.755984 0.250000 0.000000 O\n0.755984 0.250000 0.500000 O\n0.721818 0.031897 0.750000 O\n0.721818 0.468103 0.250000 O\n0.808708 0.664230 0.250000 O\n0.808708 0.835770 0.750000 O\n0.804553 0.444819 0.004612 O\n0.804553 0.055181 0.504612 O\n0.804553 0.055181 0.995388 O\n0.804553 0.444819 0.495388 O\n0.865058 0.047422 0.165918 O\n0.865058 0.047422 0.334082 O\n0.865058 0.452578 0.665918 O\n0.865058 0.452578 0.834082 O\n0.991882 0.331565 0.164854 O\n0.991882 0.331565 0.335146 O\n0.991882 0.168435 0.664854 O\n0.991882 0.168435 0.835146 O\n","nsites":88,"nelements":3,"elements":["Zn","As","O"],"chemical_system":"As-O-Zn","density":4.11838754195602,"density_atomic":0.0694796232831873,"volume":1266.5583928301792,"volume_molar":8.667491957253084,"formula_full":"Zn16 As16 O56","formula_reduced":"Zn2As2O7","formula_anonymous":"A2B2C7","energy":-525.61669553,"energy_per_atom":-5.972916994659091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-487.14469553,"band_gap":2.1387,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000934,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.188000Z","spacegroup":57},{"id":"mp-1229257","created_at":"2022-09-04T14:41:59.461382Z","structure_string":"As1 P3 Pb2 O16\n1.0\n0.379213 0.618916 5.538135\n8.780755 -0.223804 -0.339617\n-3.632484 6.547327 -1.877246\nAs P Pb O\n1 3 2 16\ndirect\n0.129641 0.803600 0.702833 As\n0.868819 0.193479 0.293669 P\n0.718302 0.290450 0.807867 P\n0.288295 0.708266 0.190932 P\n0.701951 0.730211 0.930118 Pb\n0.307624 0.270990 0.075213 Pb\n0.542587 0.180296 0.844244 O\n0.471021 0.812328 0.153830 O\n0.732595 0.153176 0.571449 O\n0.263198 0.858879 0.419705 O\n0.939355 0.225266 0.526449 O\n0.045944 0.798415 0.461411 O\n0.973229 0.330634 0.934527 O\n0.042086 0.664505 0.052117 O\n0.140829 0.007206 0.900041 O\n0.850623 0.000381 0.144716 O\n0.600285 0.454647 0.821483 O\n0.396967 0.550225 0.202872 O\n0.868294 0.691658 0.679452 O\n0.098516 0.293332 0.303164 O\n0.386290 0.694252 0.697306 O\n0.633548 0.287807 0.286600 O\n","nsites":22,"nelements":4,"elements":["As","P","Pb","O"],"chemical_system":"As-O-P-Pb","density":4.271580681398219,"density_atomic":0.0675145371260361,"volume":325.85574805808733,"volume_molar":8.919769010276811,"formula_full":"As1 P3 Pb2 O16","formula_reduced":"AsP3(PbO8)2","formula_anonymous":"AB2C3D16","energy":-138.87470238999998,"energy_per_atom":-6.3124864722727265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.29870239,"band_gap":1.3138,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000197,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.139000Z","spacegroup":1},{"id":"mp-1197297","created_at":"2022-09-04T14:41:59.474491Z","structure_string":"Sc2 H22 Br4 O12\n1.0\n6.912099 0.006777 -3.173960\n-2.231760 8.156617 -0.849449\n-0.047802 -0.107593 8.784386\nSc H Br O\n2 22 4 12\ndirect\n0.120941 0.159027 0.673418 Sc\n0.879059 0.840973 0.326582 Sc\n0.941016 0.173410 0.330297 H\n0.058984 0.826590 0.669703 H\n0.917533 0.154446 0.885045 H\n0.082467 0.845554 0.114955 H\n0.854625 0.969610 0.781085 H\n0.145375 0.030390 0.218915 H\n0.533107 0.162860 0.893159 H\n0.466893 0.837140 0.106841 H\n0.413552 0.980780 0.779738 H\n0.586448 0.019220 0.220262 H\n0.395577 0.451656 0.666494 H\n0.604423 0.548344 0.333506 H\n0.360424 0.309124 0.515691 H\n0.639576 0.690876 0.484309 H\n0.802986 0.317732 0.527011 H\n0.197014 0.682268 0.472989 H\n0.966001 0.440983 0.706208 H\n0.033999 0.559017 0.293792 H\n0.337384 0.315557 0.029561 H\n0.662616 0.684443 0.970439 H\n0.257554 0.456570 0.937217 H\n0.742446 0.543430 0.062783 H\n0.144163 0.689276 0.918934 Br\n0.855837 0.310724 0.081066 Br\n0.533546 0.746730 0.694121 Br\n0.466454 0.253270 0.305879 Br\n0.964946 0.097079 0.408554 O\n0.035054 0.902921 0.591446 O\n0.949014 0.078568 0.811954 O\n0.050986 0.921432 0.188046 O\n0.397051 0.087808 0.817196 O\n0.602949 0.912192 0.182804 O\n0.328846 0.334687 0.612399 O\n0.671154 0.665313 0.387601 O\n0.938102 0.338635 0.624984 O\n0.061898 0.661365 0.375016 O\n0.287392 0.349778 0.918257 O\n0.712608 0.650222 0.081743 O\n","nsites":40,"nelements":4,"elements":["Sc","H","Br","O"],"chemical_system":"Br-H-O-Sc","density":2.1017759983402766,"density_atomic":0.08117547675086378,"volume":492.75965600749447,"volume_molar":7.418670023315777,"formula_full":"Sc2 H22 Br4 O12","formula_reduced":"ScH11(BrO3)2","formula_anonymous":"AB2C6D11","energy":-214.00892317999995,"energy_per_atom":-5.350223079499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.62892318,"band_gap":4.143599999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022262,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.227000Z","spacegroup":2},{"id":"mp-1038829","created_at":"2022-09-04T14:41:59.490194Z","structure_string":"Mg1 Cd1\n1.0\n1.613275 -2.794273 0.000000\n1.613275 2.794273 0.000000\n0.000000 0.000000 4.886352\nMg Cd\n1 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.000000 Cd\n","nsites":2,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":5.153193589138298,"density_atomic":0.045398135065456674,"volume":44.05467310752584,"volume_molar":13.265172129465363,"formula_full":"Mg1 Cd1","formula_reduced":"MgCd","formula_anonymous":"AB","energy":-2.63779721,"energy_per_atom":-1.318898605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.63779721,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.12e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.105000Z","spacegroup":187},{"id":"mp-1018131","created_at":"2022-09-04T14:41:58.912507Z","structure_string":"Lu1 Ag2\n1.0\n-1.850888 1.850888 4.555008\n1.850888 -1.850888 4.555008\n1.850888 1.850888 -4.555008\nLu Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.666971 0.666971 0.000000 Ag\n0.333029 0.333029 0.000000 Ag\n","nsites":3,"nelements":2,"elements":["Lu","Ag"],"chemical_system":"Ag-Lu","density":10.3940995785073,"density_atomic":0.04806310676348787,"volume":62.41793762443612,"volume_molar":12.529653544108477,"formula_full":"Lu1 Ag2","formula_reduced":"LuAg2","formula_anonymous":"AB2","energy":-11.20937007,"energy_per_atom":-3.7364566900000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.20937007,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036761,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.038000Z","spacegroup":139},{"id":"mp-19324","created_at":"2022-09-04T14:41:59.504923Z","structure_string":"Ca4 Mg2 W2 O12\n1.0\n5.637324 0.000000 0.000000\n0.000000 5.474869 0.000000\n0.000000 5.450525 7.818641\nCa Mg W O\n4 2 2 12\ndirect\n0.949175 0.764512 0.247512 Ca\n0.449175 0.235488 0.252488 Ca\n0.550825 0.764512 0.747512 Ca\n0.050825 0.235488 0.752488 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.695305 0.832691 0.455000 O\n0.195305 0.167309 0.045000 O\n0.304695 0.167309 0.545000 O\n0.804695 0.832691 0.955000 O\n0.784653 0.256721 0.551530 O\n0.284653 0.743279 0.948470 O\n0.215347 0.743279 0.448470 O\n0.715347 0.256721 0.051530 O\n0.530583 0.648542 0.259281 O\n0.030583 0.351458 0.240719 O\n0.469417 0.351458 0.740719 O\n0.969417 0.648542 0.759281 O\n","nsites":20,"nelements":4,"elements":["Ca","Mg","W","O"],"chemical_system":"Ca-Mg-O-W","density":5.288938761406692,"density_atomic":0.08288042985255192,"volume":241.31148976399996,"volume_molar":7.266058791820535,"formula_full":"Ca4 Mg2 W2 O12","formula_reduced":"Ca2MgWO6","formula_anonymous":"ABC2D6","energy":-156.43272056,"energy_per_atom":-7.821636028,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.31272056,"band_gap":3.646,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004176,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.726000Z","spacegroup":14},{"id":"mp-18318","created_at":"2022-09-04T14:41:59.402545Z","structure_string":"Tm8 Si8 O28\n1.0\n6.590437 0.000000 0.000000\n-0.282748 6.617886 0.000000\n-0.397154 -0.870997 12.017815\nTm Si O\n8 8 28\ndirect\n0.824767 0.326116 0.111265 Tm\n0.175233 0.673884 0.888735 Tm\n0.865718 0.713376 0.635445 Tm\n0.134282 0.286624 0.364555 Tm\n0.619543 0.587063 0.353063 Tm\n0.380457 0.412937 0.646937 Tm\n0.548250 0.827372 0.113618 Tm\n0.451750 0.172628 0.886382 Tm\n0.644668 0.122645 0.374555 Si\n0.355332 0.877355 0.625445 Si\n0.122547 0.776693 0.407093 Si\n0.877453 0.223307 0.592907 Si\n0.013255 0.835020 0.175070 Si\n0.986745 0.164980 0.824930 Si\n0.656688 0.648181 0.886477 Si\n0.343312 0.351819 0.113523 Si\n0.500919 0.483092 0.815386 O\n0.499081 0.516908 0.184614 O\n0.500177 0.833727 0.918590 O\n0.499823 0.166273 0.081410 O\n0.851858 0.709643 0.816019 O\n0.148142 0.290357 0.183981 O\n0.730185 0.582487 0.008045 O\n0.269815 0.417513 0.991955 O\n0.576613 0.909378 0.306032 O\n0.423387 0.090622 0.693968 O\n0.461523 0.271292 0.411272 O\n0.538477 0.728708 0.588728 O\n0.793261 0.282096 0.309542 O\n0.206739 0.717904 0.690458 O\n0.779841 0.071730 0.487580 O\n0.220159 0.928270 0.512420 O\n0.148375 0.012532 0.875477 O\n0.851625 0.987468 0.124523 O\n0.112977 0.366375 0.786064 O\n0.887023 0.633625 0.213936 O\n0.798020 0.204386 0.905970 O\n0.201980 0.795614 0.094030 O\n0.900091 0.062522 0.693307 O\n0.099909 0.937478 0.306693 O\n0.089535 0.324665 0.550181 O\n0.910465 0.675335 0.449819 O\n0.724681 0.402274 0.621809 O\n0.275319 0.597726 0.378191 O\n","nsites":44,"nelements":3,"elements":["Tm","Si","O"],"chemical_system":"O-Si-Tm","density":6.412550890240406,"density_atomic":0.0839447746651705,"volume":524.1541260370554,"volume_molar":7.173931652113476,"formula_full":"Tm8 Si8 O28","formula_reduced":"Tm2Si2O7","formula_anonymous":"A2B2C7","energy":-379.58046454,"energy_per_atom":-8.626828739545454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.34446454,"band_gap":4.6417,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034204,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.659000Z","spacegroup":2},{"id":"mp-1212293","created_at":"2022-09-04T14:42:01.262631Z","structure_string":"Ho8 Al2\n1.0\n-5.553883 -5.553883 0.000000\n-5.553883 0.000000 -5.553883\n0.000000 -5.553883 -5.553883\nHo Al\n8 2\ndirect\n0.606368 0.606368 0.606368 Ho\n0.180897 0.606368 0.606368 Ho\n0.606368 0.180897 0.606368 Ho\n0.569103 0.143632 0.143632 Ho\n0.143632 0.143632 0.143632 Ho\n0.606368 0.606368 0.180897 Ho\n0.143632 0.569103 0.143632 Ho\n0.143632 0.143632 0.569103 Ho\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Al\n","nsites":10,"nelements":2,"elements":["Ho","Al"],"chemical_system":"Al-Ho","density":6.656221228698347,"density_atomic":0.02918635259463169,"volume":342.625888849137,"volume_molar":20.633413306696177,"formula_full":"Ho8 Al2","formula_reduced":"Ho4Al","formula_anonymous":"AB4","energy":-39.01863897,"energy_per_atom":-3.9018638969999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.01863897,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0099936,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.447000Z","spacegroup":227}]}