{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10167","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10165","results":[{"id":"mp-1192126","created_at":"2022-09-04T14:46:29.757471Z","structure_string":"Zn4 Te2 Mo2 O14\n1.0\n8.576179 0.000000 0.000000\n0.000000 5.248012 0.000000\n0.000000 1.217809 7.256178\nZn Te Mo O\n4 2 2 14\ndirect\n0.461485 0.947228 0.512414 Zn\n0.961485 0.052772 0.487586 Zn\n0.639808 0.522994 0.238881 Zn\n0.139808 0.477006 0.761119 Zn\n0.751249 0.514943 0.644660 Te\n0.251249 0.485057 0.355340 Te\n0.469111 0.078021 0.984344 Mo\n0.969111 0.921979 0.015656 Mo\n0.942054 0.706084 0.633172 O\n0.442054 0.293916 0.366828 O\n0.650574 0.752452 0.453802 O\n0.150574 0.247548 0.546198 O\n0.445170 0.789256 0.157746 O\n0.945170 0.210744 0.842254 O\n0.791487 0.311915 0.456056 O\n0.291487 0.688085 0.543944 O\n0.620907 0.278674 0.051054 O\n0.120907 0.721326 0.948946 O\n0.291465 0.257797 0.948376 O\n0.791465 0.742203 0.051624 O\n0.527051 0.994315 0.766356 O\n0.027051 0.005685 0.233644 O\n","nsites":22,"nelements":4,"elements":["Zn","Te","Mo","O"],"chemical_system":"Mo-O-Te-Zn","density":4.742398328320518,"density_atomic":0.06736372537610888,"volume":326.5852634658844,"volume_molar":8.939738303332915,"formula_full":"Zn4 Te2 Mo2 O14","formula_reduced":"Zn2TeMoO7","formula_anonymous":"ABC2D7","energy":-141.87366889,"energy_per_atom":-6.448803131363636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.85166889,"band_gap":3.4519,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0047599,"is_theoretical":false,"updated_at":"2021-11-28T01:37:37.483000Z","spacegroup":4},{"id":"mp-1222570","created_at":"2022-09-04T14:46:29.765454Z","structure_string":"Li2 W6 O18 F2\n1.0\n6.488639 3.745225 0.000000\n-6.488639 3.745225 0.000000\n0.000000 3.721950 7.680404\nLi W O F\n2 6 18 2\ndirect\n0.054738 0.803936 0.500090 Li\n0.803936 0.054738 0.000090 Li\n0.483367 0.232710 0.487302 W\n0.232710 0.483367 0.987302 W\n0.740014 0.489603 0.972458 W\n0.227047 0.978161 0.995262 W\n0.489603 0.740014 0.472458 W\n0.978161 0.227047 0.495262 W\n0.929523 0.387561 0.002008 O\n0.133911 0.175603 0.009491 O\n0.387561 0.929523 0.502008 O\n0.175603 0.133911 0.509491 O\n0.753961 0.931646 0.510502 O\n0.185623 0.507208 0.501607 O\n0.931646 0.753961 0.010502 O\n0.507208 0.185623 0.001607 O\n0.595235 0.343163 0.251885 O\n0.340661 0.091728 0.756459 O\n0.343163 0.595235 0.751885 O\n0.091728 0.340661 0.256459 O\n0.753550 0.289743 0.511108 O\n0.544183 0.507645 0.500712 O\n0.289743 0.753550 0.011108 O\n0.507645 0.544183 0.000712 O\n0.858101 0.609224 0.742706 O\n0.609224 0.858101 0.242706 O\n0.101162 0.848991 0.258411 F\n0.848991 0.101162 0.758411 F\n","nsites":28,"nelements":4,"elements":["Li","W","O","F"],"chemical_system":"F-Li-O-W","density":6.418627221590346,"density_atomic":0.07500883914818066,"volume":373.289339202887,"volume_molar":8.02857480316847,"formula_full":"Li2 W6 O18 F2","formula_reduced":"LiW3O9F","formula_anonymous":"ABC3D9","energy":-239.01176518,"energy_per_atom":-8.536134470714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-199.09376518,"band_gap":2.5627000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001917,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.839000Z","spacegroup":9},{"id":"mp-1184044","created_at":"2022-09-04T14:46:29.791161Z","structure_string":"Cu1 Hg1 O3\n1.0\n3.831720 0.000000 0.000000\n0.000000 3.831720 0.000000\n0.000000 0.000000 3.831720\nCu Hg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Cu","Hg","O"],"chemical_system":"Cu-Hg-O","density":9.213171513943983,"density_atomic":0.08887686085370765,"volume":56.257612521104434,"volume_molar":6.775825228472588,"formula_full":"Cu1 Hg1 O3","formula_reduced":"CuHgO3","formula_anonymous":"ABC3","energy":-20.99000252,"energy_per_atom":-4.198000504,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.92900252,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.6891766,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.154000Z","spacegroup":221},{"id":"mp-16691","created_at":"2022-09-04T14:46:29.829410Z","structure_string":"Sr4 Li8 Ti24 O56\n1.0\n5.642853 -8.367803 0.000000\n5.642853 8.367803 0.000000\n0.000000 0.000000 11.561442\nSr Li Ti O\n4 8 24 56\ndirect\n0.353360 0.353360 0.121059 Sr\n0.646640 0.646640 0.878941 Sr\n0.853360 0.853360 0.378941 Sr\n0.146640 0.146640 0.621059 Sr\n0.058557 0.430989 0.121671 Li\n0.441443 0.069011 0.621671 Li\n0.930989 0.558557 0.378329 Li\n0.569011 0.941443 0.878329 Li\n0.941443 0.569011 0.878329 Li\n0.558557 0.930989 0.378329 Li\n0.069011 0.441443 0.621671 Li\n0.430989 0.058557 0.121671 Li\n0.491005 0.275877 0.385052 Ti\n0.008995 0.224123 0.885052 Ti\n0.775877 0.991005 0.114948 Ti\n0.724123 0.508995 0.614948 Ti\n0.508995 0.724123 0.614948 Ti\n0.243032 0.743032 0.250000 Ti\n0.991005 0.775877 0.114948 Ti\n0.224123 0.008995 0.885052 Ti\n0.275877 0.491005 0.385052 Ti\n0.234991 0.017634 0.359559 Ti\n0.265009 0.482366 0.859559 Ti\n0.517634 0.734991 0.140441 Ti\n0.982366 0.765009 0.640441 Ti\n0.765009 0.982366 0.640441 Ti\n0.256968 0.756968 0.750000 Ti\n0.482366 0.265009 0.859559 Ti\n0.017634 0.234991 0.359559 Ti\n0.760593 0.239407 0.500000 Ti\n0.739407 0.260593 0.000000 Ti\n0.239407 0.760593 0.500000 Ti\n0.260593 0.739407 0.000000 Ti\n0.743031 0.243031 0.250000 Ti\n0.756968 0.256968 0.750000 Ti\n0.734991 0.517634 0.140441 Ti\n0.354961 0.139395 0.758923 O\n0.590112 0.590112 0.633775 O\n0.909888 0.909888 0.133775 O\n0.090112 0.090112 0.866225 O\n0.409888 0.409888 0.366225 O\n0.355407 0.139871 0.482843 O\n0.144593 0.360129 0.982843 O\n0.639871 0.855407 0.017157 O\n0.860129 0.644593 0.517157 O\n0.644593 0.860129 0.517157 O\n0.855407 0.639871 0.017157 O\n0.360129 0.144593 0.982843 O\n0.139871 0.355407 0.482843 O\n0.916390 0.916390 0.622865 O\n0.583610 0.583610 0.122865 O\n0.416390 0.416390 0.877135 O\n0.083610 0.083610 0.377135 O\n0.360605 0.145039 0.258923 O\n0.139395 0.354961 0.758923 O\n0.645039 0.860605 0.241077 O\n0.854961 0.639395 0.741077 O\n0.639395 0.854961 0.741077 O\n0.371164 0.628836 0.000000 O\n0.145039 0.360605 0.258923 O\n0.367368 0.632632 0.500000 O\n0.132632 0.867368 0.000000 O\n0.632632 0.367368 0.500000 O\n0.867368 0.132632 0.000000 O\n0.146065 0.620722 0.378232 O\n0.353935 0.879278 0.878232 O\n0.120722 0.646065 0.121768 O\n0.379278 0.853935 0.621768 O\n0.853935 0.379278 0.621768 O\n0.646065 0.120722 0.121768 O\n0.879278 0.353935 0.878232 O\n0.620722 0.146065 0.378232 O\n0.363378 0.627868 0.250000 O\n0.136622 0.872132 0.750000 O\n0.127868 0.863378 0.250000 O\n0.372132 0.636622 0.750000 O\n0.636622 0.372132 0.750000 O\n0.863378 0.127868 0.250000 O\n0.872132 0.136622 0.750000 O\n0.627868 0.363378 0.250000 O\n0.880463 0.348107 0.371861 O\n0.619537 0.151893 0.871861 O\n0.848107 0.380463 0.128139 O\n0.651893 0.119537 0.628139 O\n0.119537 0.651893 0.628139 O\n0.380463 0.848107 0.128139 O\n0.151893 0.619537 0.871861 O\n0.348107 0.880463 0.371861 O\n0.871164 0.128836 0.500000 O\n0.628836 0.371164 0.000000 O\n0.128836 0.871164 0.500000 O\n0.860605 0.645039 0.241077 O\n","nsites":92,"nelements":4,"elements":["Sr","Li","Ti","O"],"chemical_system":"Li-O-Sr-Ti","density":3.7273627941612038,"density_atomic":0.0842627527615677,"volume":1091.8228634225354,"volume_molar":7.1468597483877865,"formula_full":"Sr4 Li8 Ti24 O56","formula_reduced":"SrLi2Ti6O14","formula_anonymous":"AB2C6D14","energy":-801.0573463499999,"energy_per_atom":-8.707145069021738,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-762.58534635,"band_gap":2.8389000000000006,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.09e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:43.202000Z","spacegroup":64},{"id":"mp-1246166","created_at":"2022-09-04T14:46:29.838227Z","structure_string":"Zr1 Fe2 N2\n1.0\n3.030444 0.000016 0.000008\n-1.515208 2.624416 -0.000017\n0.000093 0.000012 6.552326\nZr Fe N\n1 2 2\ndirect\n0.000001 0.000000 0.000004 Zr\n0.666670 0.333336 0.342903 Fe\n0.333330 0.666664 0.657096 Fe\n0.666662 0.333329 0.772942 N\n0.333336 0.666671 0.227056 N\n","nsites":5,"nelements":3,"elements":["Zr","Fe","N"],"chemical_system":"Fe-N-Zr","density":7.358491673606305,"density_atomic":0.09594762824822667,"volume":52.1117623362661,"volume_molar":6.27648736081322,"formula_full":"Zr1 Fe2 N2","formula_reduced":"Zr(FeN)2","formula_anonymous":"AB2C2","energy":-45.45337558,"energy_per_atom":-9.090675116,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.73137557999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0090685,"is_theoretical":true,"updated_at":"2021-11-28T01:37:37.104000Z","spacegroup":164},{"id":"mp-731832","created_at":"2022-09-04T14:46:29.847975Z","structure_string":"Cs4 V2 O4 F8\n1.0\n3.158420 -7.522241 0.000000\n3.158420 7.522241 0.000000\n0.000000 0.000000 7.509090\nCs V O F\n4 2 4 8\ndirect\n0.266304 0.733696 0.250000 Cs\n0.733696 0.266304 0.750000 Cs\n0.950548 0.049452 0.250000 Cs\n0.049452 0.950548 0.750000 Cs\n0.622768 0.377232 0.250000 V\n0.377232 0.622768 0.750000 V\n0.734627 0.265373 0.250000 O\n0.265373 0.734627 0.750000 O\n0.491381 0.508619 0.250000 O\n0.508619 0.491381 0.750000 O\n0.825517 0.598548 0.427896 F\n0.598548 0.825517 0.572104 F\n0.825517 0.598548 0.072104 F\n0.598548 0.825517 0.927896 F\n0.174483 0.401452 0.572104 F\n0.401452 0.174483 0.427896 F\n0.174483 0.401452 0.927896 F\n0.401452 0.174483 0.072104 F\n","nsites":18,"nelements":4,"elements":["Cs","V","O","F"],"chemical_system":"Cs-F-O-V","density":3.95341814361552,"density_atomic":0.050447317211584054,"volume":356.8078739352014,"volume_molar":11.937484672856211,"formula_full":"Cs4 V2 O4 F8","formula_reduced":"Cs2V(OF2)2","formula_anonymous":"AB2C2D4","energy":-102.99507015,"energy_per_atom":-5.721948341666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.15107014999998,"band_gap":0.3959,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0007885,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.604000Z","spacegroup":63},{"id":"mp-649","created_at":"2022-09-04T14:46:29.941717Z","structure_string":"Fe1 Pt3\n1.0\n3.869624 0.000000 0.000000\n0.000000 3.869624 0.000000\n0.000000 0.000000 3.869624\nFe Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n","nsites":4,"nelements":2,"elements":["Fe","Pt"],"chemical_system":"Fe-Pt","density":18.372427329107172,"density_atomic":0.06903251365518139,"volume":57.943710698122196,"volume_molar":8.723629549520243,"formula_full":"Fe1 Pt3","formula_reduced":"FePt3","formula_anonymous":"AB3","energy":-27.37816386,"energy_per_atom":-6.844540965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.37816386,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.1566303,"is_theoretical":false,"updated_at":"2021-11-28T01:37:33.921000Z","spacegroup":221},{"id":"mp-1073940","created_at":"2022-09-04T14:46:29.777404Z","structure_string":"Mg12 Si10\n1.0\n5.356878 0.000000 0.000000\n-0.891603 6.025387 0.000000\n-1.180358 -2.815288 13.383861\nMg Si\n12 10\ndirect\n0.832960 0.536098 0.081322 Mg\n0.887588 0.233690 0.468066 Mg\n0.620021 0.904244 0.722162 Mg\n0.681940 0.416498 0.293509 Mg\n0.525624 0.873709 0.258147 Mg\n0.792034 0.461738 0.841909 Mg\n0.467782 0.341748 0.607320 Mg\n0.402549 0.790509 0.487582 Mg\n0.041208 0.069489 0.174516 Mg\n0.810022 0.994962 0.950467 Mg\n0.282425 0.738382 0.995091 Mg\n0.343533 0.239146 0.926056 Mg\n0.018658 0.850873 0.343846 Si\n0.868514 0.700897 0.498345 Si\n0.110521 0.851826 0.804983 Si\n0.333178 0.458758 0.131876 Si\n0.346946 0.192123 0.399481 Si\n0.128567 0.936383 0.643034 Si\n0.962928 0.279542 0.666507 Si\n0.193664 0.486032 0.307772 Si\n0.544185 0.124745 0.107985 Si\n0.298168 0.518821 0.786545 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.200684820678939,"density_atomic":0.050926585816665794,"volume":431.9944022793782,"volume_molar":11.825141354811276,"formula_full":"Mg12 Si10","formula_reduced":"Mg6Si5","formula_anonymous":"A5B6","energy":-71.45415515,"energy_per_atom":-3.2479161431818184,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.16415515,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024897,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.146000Z","spacegroup":1},{"id":"mp-21509","created_at":"2022-09-04T14:46:29.798850Z","structure_string":"La3 Mg3 Ga3\n1.0\n3.800960 -6.583456 0.000000\n3.800960 6.583456 0.000000\n0.000000 0.000000 4.625845\nLa Mg Ga\n3 3 3\ndirect\n0.000000 0.577482 0.000000 La\n0.422518 0.422518 0.000000 La\n0.577482 0.000000 0.000000 La\n0.000000 0.241823 0.500000 Mg\n0.758177 0.758177 0.500000 Mg\n0.241823 0.000000 0.500000 Mg\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n","nsites":9,"nelements":3,"elements":["La","Mg","Ga"],"chemical_system":"Ga-La-Mg","density":5.012264024843746,"density_atomic":0.03887534002003789,"volume":231.50922912471103,"volume_molar":15.490901833645571,"formula_full":"La3 Mg3 Ga3","formula_reduced":"LaMgGa","formula_anonymous":"ABC","energy":-33.06830801,"energy_per_atom":-3.6742564455555558,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.06830801,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002892,"is_theoretical":false,"updated_at":"2021-11-28T01:37:37.956000Z","spacegroup":189},{"id":"mp-771021","created_at":"2022-09-04T14:46:29.805156Z","structure_string":"Na6 Li6 Mn4 P4 C4 O28\n1.0\n0.027474 -6.788158 5.094053\n8.806981 0.139820 0.259809\n0.242314 6.819218 5.137412\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.126948 0.253655 0.136385 Na\n0.626910 0.253560 0.636279 Na\n0.880463 0.250408 0.380686 Na\n0.380552 0.250342 0.880673 Na\n0.120172 0.754822 0.615294 Na\n0.620191 0.754909 0.115293 Na\n0.272256 0.103834 0.507696 Li\n0.772252 0.103856 0.007762 Li\n0.888592 0.723845 0.854927 Li\n0.388641 0.723974 0.354960 Li\n0.725835 0.897315 0.507972 Li\n0.225825 0.897385 0.007955 Li\n0.509851 0.360803 0.263883 Mn\n0.987253 0.645488 0.224737 Mn\n0.009628 0.360637 0.763823 Mn\n0.487348 0.645404 0.724687 Mn\n0.233416 0.412422 0.480987 P\n0.733515 0.412400 0.981008 P\n0.761160 0.594270 0.508540 P\n0.261090 0.594319 0.008467 P\n0.975935 0.041941 0.742413 C\n0.475971 0.041998 0.242404 C\n0.028265 0.952230 0.273155 C\n0.528275 0.952217 0.773156 C\n0.069679 0.084304 0.329224 O\n0.569691 0.084269 0.829226 O\n0.100546 0.064667 0.865849 O\n0.600576 0.064663 0.365868 O\n0.894728 0.158892 0.654188 O\n0.394785 0.158955 0.154228 O\n0.367133 0.309621 0.442204 O\n0.867347 0.309638 0.942339 O\n0.183596 0.323446 0.621851 O\n0.683630 0.323510 0.121866 O\n0.082344 0.429854 0.327136 O\n0.582540 0.429742 0.827094 O\n0.708171 0.431849 0.458631 O\n0.208176 0.431851 0.958629 O\n0.295733 0.573987 0.525058 O\n0.795724 0.573998 0.025057 O\n0.901540 0.578423 0.673272 O\n0.401549 0.578530 0.173218 O\n0.822082 0.686385 0.377400 O\n0.322032 0.686425 0.877305 O\n0.616428 0.691781 0.533533 O\n0.116197 0.691756 0.033350 O\n0.119629 0.833013 0.341731 O\n0.619600 0.832982 0.841708 O\n0.899728 0.936641 0.151344 O\n0.399715 0.936653 0.651311 O\n0.928365 0.906031 0.702101 O\n0.428396 0.906102 0.202134 O\n","nsites":52,"nelements":6,"elements":["Na","Li","Mn","P","C","O"],"chemical_system":"C-Li-Mn-Na-O-P","density":2.7635912974753474,"density_atomic":0.08490709854072685,"volume":612.4340708104339,"volume_molar":7.0926234243081545,"formula_full":"Na6 Li6 Mn4 P4 C4 O28","formula_reduced":"Na3Li3Mn2P2(CO7)2","formula_anonymous":"A2B2C2D3E3F14","energy":-377.56705507,"energy_per_atom":-7.260904905192307,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-351.65905507,"band_gap":3.5219,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0004915,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.830000Z","spacegroup":1},{"id":"mp-1200281","created_at":"2022-09-04T14:46:29.807774Z","structure_string":"H72 C24 Se8 N24\n1.0\n5.974465 0.000000 0.000000\n0.000000 10.218495 0.000000\n0.000000 0.000000 22.400795\nH C Se N\n72 24 8 24\ndirect\n0.679033 0.082513 0.558995 H\n0.820967 0.917487 0.058995 H\n0.179033 0.417487 0.441005 H\n0.320967 0.582513 0.941005 H\n0.567937 0.166555 0.622986 H\n0.932063 0.833445 0.122986 H\n0.067937 0.333445 0.377014 H\n0.432063 0.666555 0.877014 H\n0.391088 0.052832 0.581561 H\n0.108912 0.947168 0.081561 H\n0.891088 0.447168 0.418439 H\n0.608912 0.552832 0.918439 H\n0.385193 0.813145 0.581030 H\n0.114807 0.186855 0.081030 H\n0.885193 0.686855 0.418970 H\n0.614807 0.313145 0.918970 H\n0.575169 0.702667 0.620353 H\n0.924831 0.297333 0.120353 H\n0.075169 0.797333 0.379647 H\n0.424831 0.202667 0.879647 H\n0.669519 0.789673 0.554670 H\n0.830481 0.210327 0.054670 H\n0.169519 0.710327 0.445330 H\n0.330481 0.289673 0.945330 H\n0.251329 0.924330 0.669903 H\n0.248671 0.075670 0.169903 H\n0.751329 0.575670 0.330097 H\n0.748671 0.424330 0.830097 H\n0.402000 0.014327 0.726563 H\n0.098000 0.985673 0.226563 H\n0.902000 0.485673 0.273437 H\n0.598000 0.514327 0.773437 H\n0.410897 0.837218 0.725665 H\n0.089103 0.162782 0.225665 H\n0.910897 0.662782 0.274335 H\n0.589103 0.337218 0.774335 H\n0.712817 0.189152 0.441105 H\n0.787183 0.810848 0.941105 H\n0.212817 0.310848 0.558895 H\n0.287183 0.689152 0.058895 H\n0.419374 0.206999 0.461066 H\n0.080626 0.793001 0.961066 H\n0.919374 0.293001 0.538934 H\n0.580626 0.706999 0.038934 H\n0.530562 0.297216 0.398082 H\n0.969438 0.702784 0.898082 H\n0.030562 0.202784 0.601918 H\n0.469438 0.797216 0.101918 H\n0.751499 0.152924 0.300721 H\n0.748501 0.847076 0.800721 H\n0.251499 0.347076 0.699279 H\n0.248501 0.652924 0.199279 H\n0.755827 0.976031 0.300144 H\n0.744173 0.023969 0.800144 H\n0.255827 0.523969 0.699856 H\n0.244173 0.476031 0.199856 H\n0.879475 0.064918 0.362215 H\n0.620525 0.935082 0.862215 H\n0.379475 0.435082 0.637785 H\n0.120525 0.564918 0.137785 H\n0.713977 0.943690 0.442148 H\n0.786023 0.056310 0.942148 H\n0.213977 0.556310 0.557852 H\n0.286023 0.443690 0.057852 H\n0.541506 0.830574 0.399722 H\n0.958494 0.169426 0.899722 H\n0.041506 0.669426 0.600278 H\n0.458494 0.330574 0.100278 H\n0.420823 0.919158 0.461365 H\n0.079177 0.080842 0.961365 H\n0.920823 0.580842 0.538635 H\n0.579177 0.419158 0.038635 H\n0.560919 0.077124 0.596204 C\n0.939081 0.922876 0.096204 C\n0.060919 0.422876 0.403796 C\n0.439081 0.577124 0.903796 C\n0.558886 0.791727 0.593613 C\n0.941114 0.208273 0.093613 C\n0.058886 0.708273 0.406387 C\n0.441114 0.291727 0.906387 C\n0.400005 0.926383 0.698527 C\n0.099995 0.073617 0.198527 C\n0.900005 0.573617 0.301473 C\n0.599995 0.426383 0.801473 C\n0.542538 0.207771 0.424922 C\n0.957462 0.792229 0.924922 C\n0.042538 0.292229 0.575078 C\n0.457462 0.707771 0.075078 C\n0.748130 0.064056 0.328036 C\n0.751870 0.935944 0.828036 C\n0.248130 0.435944 0.671964 C\n0.251870 0.564056 0.171964 C\n0.545778 0.921175 0.425720 C\n0.954222 0.078825 0.925720 C\n0.045778 0.578825 0.574280 C\n0.454222 0.421175 0.074280 C\n0.663199 0.931949 0.646147 Se\n0.836801 0.068051 0.146147 Se\n0.163199 0.568051 0.353853 Se\n0.336801 0.431949 0.853853 Se\n0.463212 0.063314 0.371436 Se\n0.036788 0.936686 0.871436 Se\n0.963212 0.436686 0.628564 Se\n0.536788 0.563314 0.128564 Se\n0.439363 0.931999 0.962954 N\n0.060637 0.068001 0.462954 N\n0.939363 0.568001 0.037046 N\n0.560637 0.431999 0.537046 N\n0.447619 0.002921 0.005087 N\n0.052381 0.997079 0.505087 N\n0.947619 0.497079 0.994913 N\n0.552381 0.502921 0.494913 N\n0.456310 0.073767 0.047282 N\n0.043690 0.926233 0.547282 N\n0.956310 0.426233 0.952718 N\n0.543690 0.573767 0.452718 N\n0.354373 0.817833 0.287463 N\n0.145627 0.182167 0.787463 N\n0.854373 0.682167 0.712537 N\n0.645627 0.317833 0.212537 N\n0.493377 0.815479 0.249353 N\n0.006623 0.184521 0.749353 N\n0.993377 0.684521 0.750647 N\n0.506623 0.315479 0.250647 N\n0.632330 0.813112 0.211225 N\n0.867670 0.186888 0.711225 N\n0.132330 0.686888 0.788775 N\n0.367670 0.313112 0.288775 N\n","nsites":128,"nelements":4,"elements":["H","C","Se","N"],"chemical_system":"C-H-N-Se","density":1.61330545271254,"density_atomic":0.09359670930631395,"volume":1367.5694471383006,"volume_molar":6.4341372732361135,"formula_full":"H72 C24 Se8 N24","formula_reduced":"H9C3SeN3","formula_anonymous":"AB3C3D9","energy":-700.43384501,"energy_per_atom":-5.472139414140625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-687.99384501,"band_gap":3.3638,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:42.320000Z","spacegroup":19},{"id":"mp-1219076","created_at":"2022-09-04T14:46:29.809533Z","structure_string":"Sm1 Co2 Ni3\n1.0\n2.453942 -4.250351 0.000000\n2.453942 4.250351 0.000000\n0.000000 0.000000 3.966268\nSm Co Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n","nsites":6,"nelements":3,"elements":["Sm","Co","Ni"],"chemical_system":"Co-Ni-Sm","density":8.917245238008343,"density_atomic":0.07251871645651328,"volume":82.73726140199919,"volume_molar":8.304257237662569,"formula_full":"Sm1 Co2 Ni3","formula_reduced":"SmCo2Ni3","formula_anonymous":"AB2C3","energy":-37.19229721,"energy_per_atom":-6.198716201666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.19229721,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8612552,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.591000Z","spacegroup":191}]}