{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12161","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12159","results":[{"id":"mp-758516","created_at":"2022-09-04T14:47:59.204592Z","structure_string":"Li8 Fe8 Si12 O36\n1.0\n6.280873 0.000000 0.000000\n0.000000 9.654500 0.000000\n0.000000 0.000000 12.389804\nLi Fe Si O\n8 8 12 36\ndirect\n0.148565 0.558935 0.084008 Li\n0.148565 0.941065 0.084008 Li\n0.648565 0.058935 0.415992 Li\n0.648565 0.441065 0.415992 Li\n0.351435 0.558935 0.584008 Li\n0.351435 0.941065 0.584008 Li\n0.851435 0.058935 0.915992 Li\n0.851435 0.441065 0.915992 Li\n0.701689 0.502426 0.163751 Fe\n0.701689 0.997574 0.163751 Fe\n0.201689 0.002426 0.336249 Fe\n0.201689 0.497574 0.336249 Fe\n0.798311 0.502426 0.663751 Fe\n0.798311 0.997574 0.663751 Fe\n0.298311 0.002426 0.836249 Fe\n0.298311 0.497574 0.836249 Fe\n0.534918 0.750000 0.035952 Si\n0.035947 0.250000 0.081167 Si\n0.432816 0.250000 0.214391 Si\n0.932816 0.750000 0.285609 Si\n0.535947 0.750000 0.418833 Si\n0.034918 0.250000 0.464048 Si\n0.965082 0.750000 0.535952 Si\n0.464053 0.250000 0.581167 Si\n0.067184 0.250000 0.714391 Si\n0.567184 0.750000 0.785609 Si\n0.964053 0.750000 0.918833 Si\n0.465082 0.250000 0.964048 Si\n0.799722 0.750000 0.024925 O\n0.914359 0.102644 0.072376 O\n0.914359 0.397356 0.072376 O\n0.458799 0.608772 0.095691 O\n0.458799 0.891228 0.095691 O\n0.539411 0.250000 0.093359 O\n0.997616 0.895272 0.225818 O\n0.997616 0.604728 0.225818 O\n0.172237 0.250000 0.196677 O\n0.672237 0.750000 0.303323 O\n0.497616 0.104728 0.274182 O\n0.497616 0.395272 0.274182 O\n0.039411 0.750000 0.406641 O\n0.958799 0.108772 0.404309 O\n0.958799 0.391228 0.404309 O\n0.414359 0.602644 0.427624 O\n0.414359 0.897356 0.427624 O\n0.299722 0.250000 0.475075 O\n0.700278 0.750000 0.524925 O\n0.585641 0.102644 0.572376 O\n0.585641 0.397356 0.572376 O\n0.041201 0.608772 0.595691 O\n0.041201 0.891228 0.595691 O\n0.960589 0.250000 0.593359 O\n0.502384 0.604728 0.725818 O\n0.502384 0.895272 0.725818 O\n0.327763 0.250000 0.696677 O\n0.827763 0.750000 0.803323 O\n0.002384 0.104728 0.774182 O\n0.002384 0.395272 0.774182 O\n0.460589 0.750000 0.906641 O\n0.541201 0.108772 0.904309 O\n0.541201 0.391228 0.904309 O\n0.085641 0.602644 0.927624 O\n0.085641 0.897356 0.927624 O\n0.200278 0.250000 0.975075 O\n","nsites":64,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":3.128102944045636,"density_atomic":0.08518551218311383,"volume":751.3014638266928,"volume_molar":7.069442450559988,"formula_full":"Li8 Fe8 Si12 O36","formula_reduced":"Li2Fe2(SiO3)3","formula_anonymous":"A2B2C3D9","energy":-494.36069062,"energy_per_atom":-7.7243857909375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-451.58069062,"band_gap":3.0875,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":31.9992865,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.075000Z","spacegroup":62},{"id":"mp-1184353","created_at":"2022-09-04T14:47:59.207629Z","structure_string":"Eu1 Tm1 O3\n1.0\n4.268535 0.000000 0.000000\n0.000000 4.268535 0.000000\n0.000000 0.000000 4.268535\nEu Tm O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Eu","Tm","O"],"chemical_system":"Eu-O-Tm","density":7.876204539246209,"density_atomic":0.06428852534276894,"volume":77.77437689449803,"volume_molar":9.367364903599176,"formula_full":"Eu1 Tm1 O3","formula_reduced":"EuTmO3","formula_anonymous":"ABC3","energy":-45.53246852,"energy_per_atom":-9.106493704,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.47146852,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0018311,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.996000Z","spacegroup":221},{"id":"mp-1629","created_at":"2022-09-04T14:47:59.214700Z","structure_string":"Th4 Au2\n1.0\n-3.735258 3.735258 3.031360\n3.735258 -3.735258 3.031360\n3.735258 3.735258 -3.031360\nTh Au\n4 2\ndirect\n0.157380 0.657380 0.814760 Th\n0.842620 0.342620 0.185240 Th\n0.342620 0.157380 0.500000 Th\n0.657380 0.842620 0.500000 Th\n0.250000 0.250000 0.000000 Au\n0.750000 0.750000 0.000000 Au\n","nsites":6,"nelements":2,"elements":["Th","Au"],"chemical_system":"Au-Th","density":12.976867891649286,"density_atomic":0.03546602650397494,"volume":169.1759859066122,"volume_molar":16.980026672356583,"formula_full":"Th4 Au2","formula_reduced":"Th2Au","formula_anonymous":"AB2","energy":-38.72511285,"energy_per_atom":-6.454185475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.72511285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008136,"is_theoretical":false,"updated_at":"2021-11-28T01:38:26.237000Z","spacegroup":140},{"id":"mp-1112502","created_at":"2022-09-04T14:47:59.215627Z","structure_string":"Cs2 Tl1 As1 Cl6\n1.0\n0.000000 5.573910 5.573910\n5.573910 0.000000 5.573910\n5.573910 5.573910 0.000000\nCs Tl As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.773924 0.226076 0.226076 Cl\n0.226076 0.226076 0.773924 Cl\n0.226076 0.773924 0.773924 Cl\n0.226076 0.773924 0.226076 Cl\n0.773924 0.226076 0.773924 Cl\n0.773924 0.773924 0.226076 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Tl","As","Cl"],"chemical_system":"As-Cl-Cs-Tl","density":3.6334000609713284,"density_atomic":0.0288728828173229,"volume":346.3457412018549,"volume_molar":20.85742805144102,"formula_full":"Cs2 Tl1 As1 Cl6","formula_reduced":"Cs2TlAsCl6","formula_anonymous":"ABC2D6","energy":-36.62250983,"energy_per_atom":-3.662250983,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.93850983,"band_gap":2.0627,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006876,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.378000Z","spacegroup":225},{"id":"mp-1183960","created_at":"2022-09-04T14:48:00.032704Z","structure_string":"Ca6 Eu2\n1.0\n3.914596 -6.780279 0.000000\n3.914596 6.780279 0.000000\n0.000000 0.000000 6.465730\nCa Eu\n6 2\ndirect\n0.167258 0.334515 0.250000 Ca\n0.665485 0.832742 0.250000 Ca\n0.167258 0.832742 0.250000 Ca\n0.832742 0.665485 0.750000 Ca\n0.334515 0.167258 0.750000 Ca\n0.832742 0.167258 0.750000 Ca\n0.333333 0.666667 0.750000 Eu\n0.666667 0.333333 0.250000 Eu\n","nsites":8,"nelements":2,"elements":["Ca","Eu"],"chemical_system":"Ca-Eu","density":2.6337948813682006,"density_atomic":0.02330815584838692,"volume":343.22749736348845,"volume_molar":25.837053772818205,"formula_full":"Ca6 Eu2","formula_reduced":"Ca3Eu","formula_anonymous":"AB3","energy":-32.38170982,"energy_per_atom":-4.0477137275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.38170982,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.6234928,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.152000Z","spacegroup":194},{"id":"mp-755229","created_at":"2022-09-04T14:47:59.217008Z","structure_string":"V4 O3 F9\n1.0\n-5.207418 -0.010411 -0.019859\n-2.613513 -4.756013 0.038524\n0.026126 -2.934682 8.704388\nV O F\n4 3 9\ndirect\n0.751199 0.499607 0.250248 V\n0.464957 0.013090 0.499014 V\n0.263665 0.519000 0.744939 V\n0.037143 0.984479 0.002882 V\n0.396177 0.762185 0.080728 O\n0.403269 0.741608 0.668800 O\n0.104153 0.239899 0.418570 O\n0.912710 0.760369 0.169581 F\n0.907844 0.744275 0.582564 F\n0.961383 0.261221 0.119566 F\n0.537772 0.742226 0.377862 F\n0.591249 0.238831 0.331694 F\n0.585403 0.245227 0.921643 F\n0.474721 0.239153 0.630961 F\n0.027332 0.750114 0.874963 F\n0.081023 0.258717 0.825984 F\n","nsites":16,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.2712092590261843,"density_atomic":0.07455826128089976,"volume":214.59727902880778,"volume_molar":8.077093881402979,"formula_full":"V4 O3 F9","formula_reduced":"V4(OF3)3","formula_anonymous":"A3B4C9","energy":-115.68127853,"energy_per_atom":-7.230079908125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.66227853,"band_gap":1.7218,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0001707,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.802000Z","spacegroup":1},{"id":"mp-1223318","created_at":"2022-09-04T14:47:59.218031Z","structure_string":"K1 Na1 Mg2 F6\n1.0\n4.007581 0.000000 0.000000\n0.000000 4.007581 0.000000\n0.000000 0.000000 7.994870\nK Na Mg F\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.246633 Mg\n0.000000 0.000000 0.753367 Mg\n0.500000 0.000000 0.243520 F\n0.500000 0.000000 0.756480 F\n0.000000 0.500000 0.756480 F\n0.000000 0.500000 0.243520 F\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n","nsites":10,"nelements":4,"elements":["K","Na","Mg","F"],"chemical_system":"F-K-Mg-Na","density":2.9057208917840134,"density_atomic":0.07787964725749985,"volume":128.40325235341888,"volume_molar":7.732624597140898,"formula_full":"K1 Na1 Mg2 F6","formula_reduced":"KNaMg2F6","formula_anonymous":"ABC2D6","energy":-52.12327166,"energy_per_atom":-5.212327166,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.35127166,"band_gap":6.3905,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.088000Z","spacegroup":123},{"id":"mp-1306592","created_at":"2022-09-04T14:47:59.227264Z","structure_string":"Li4 Ni6 Sb2 O16\n1.0\n2.988915 -5.165980 0.010250\n5.970749 -0.004345 0.159999\n-2.727897 -1.590693 9.492683\nLi Ni Sb O\n4 6 2 16\ndirect\n0.308517 0.383366 0.567247 Li\n0.808771 0.383382 0.067243 Li\n0.191869 0.616537 0.932770 Li\n0.691581 0.616609 0.432775 Li\n0.749820 0.999959 0.750043 Ni\n0.749869 0.999995 0.249932 Ni\n0.999951 0.000160 0.499941 Ni\n0.249632 0.999960 0.250199 Ni\n0.249722 0.000116 0.749923 Ni\n0.500346 0.000160 0.000032 Ni\n0.750154 0.499928 0.750055 Sb\n0.250064 0.500124 0.250075 Sb\n0.093590 0.811304 0.637529 O\n0.593982 0.811319 0.137557 O\n0.405955 0.188594 0.862425 O\n0.905456 0.188597 0.362423 O\n0.872405 0.254560 0.867889 O\n0.372200 0.254553 0.367922 O\n0.652268 0.238567 0.633300 O\n0.152586 0.238360 0.133209 O\n0.110421 0.239414 0.633908 O\n0.610585 0.239605 0.133995 O\n0.389399 0.761289 0.865939 O\n0.889270 0.761084 0.365837 O\n0.848395 0.760703 0.866799 O\n0.348011 0.760922 0.366885 O\n0.627490 0.745446 0.632062 O\n0.127694 0.745387 0.132085 O\n","nsites":28,"nelements":4,"elements":["Li","Ni","Sb","O"],"chemical_system":"Li-Ni-O-Sb","density":4.940337878320669,"density_atomic":0.09472441654954655,"volume":295.59432530634086,"volume_molar":6.357537981614339,"formula_full":"Li4 Ni6 Sb2 O16","formula_reduced":"Li2Ni3SbO8","formula_anonymous":"AB2C3D8","energy":-172.79752754,"energy_per_atom":-6.171340269285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.55952754,"band_gap":0.2080999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0001933,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.556000Z","spacegroup":12},{"id":"mp-27457","created_at":"2022-09-04T14:47:59.230215Z","structure_string":"Ba4 P8 O24\n1.0\n4.563397 0.000000 0.000000\n0.000000 8.523427 0.000000\n0.000000 0.000000 13.673185\nBa P O\n4 8 24\ndirect\n0.008310 0.448835 0.126622 Ba\n0.508310 0.051165 0.873378 Ba\n0.991690 0.948835 0.373378 Ba\n0.491690 0.551165 0.626622 Ba\n0.966832 0.672509 0.846639 P\n0.466832 0.827491 0.153361 P\n0.033168 0.172509 0.653361 P\n0.533168 0.327491 0.346639 P\n0.462442 0.469970 0.897032 P\n0.962442 0.030030 0.102968 P\n0.537558 0.969970 0.602968 P\n0.037558 0.530030 0.397032 P\n0.532422 0.664917 0.118951 O\n0.032422 0.835083 0.881049 O\n0.467578 0.164917 0.381049 O\n0.967578 0.335083 0.618951 O\n0.498549 0.373254 0.241497 O\n0.998549 0.126746 0.758503 O\n0.501451 0.873254 0.258503 O\n0.001451 0.626746 0.741497 O\n0.540312 0.384990 0.989712 O\n0.040312 0.115010 0.010288 O\n0.459688 0.884990 0.510288 O\n0.959688 0.615010 0.489712 O\n0.360884 0.455908 0.416284 O\n0.860884 0.044092 0.583716 O\n0.639116 0.955908 0.083716 O\n0.139116 0.544092 0.916284 O\n0.863228 0.364363 0.384833 O\n0.363228 0.135637 0.615167 O\n0.136772 0.864363 0.115167 O\n0.636772 0.635637 0.884833 O\n0.022792 0.620549 0.303050 O\n0.522792 0.879451 0.696950 O\n0.977208 0.120549 0.196950 O\n0.477208 0.379451 0.803050 O\n","nsites":36,"nelements":3,"elements":["Ba","P","O"],"chemical_system":"Ba-O-P","density":3.6877169842415465,"density_atomic":0.06769090373706388,"volume":531.8292120878916,"volume_molar":8.896528820758824,"formula_full":"Ba4 P8 O24","formula_reduced":"Ba(PO3)2","formula_anonymous":"AB2C6","energy":-277.0226176,"energy_per_atom":-7.695072711111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.5346176,"band_gap":5.2784,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0035556,"is_theoretical":false,"updated_at":"2021-11-28T01:38:27.945000Z","spacegroup":19},{"id":"mp-9637","created_at":"2022-09-04T14:47:59.239209Z","structure_string":"K12 Np4 O8 F20\n1.0\n-4.641657 4.641657 9.191180\n4.641657 -4.641657 9.191180\n4.641657 4.641657 -9.191180\nK Np O F\n12 4 8 20\ndirect\n0.676348 0.151894 0.054792 K\n0.371556 0.926348 0.024453 K\n0.901894 0.347103 0.975547 K\n0.097103 0.621556 0.945208 K\n0.073652 0.098106 0.445208 K\n0.378444 0.323652 0.475547 K\n0.848106 0.902897 0.524453 K\n0.652897 0.628444 0.554792 K\n0.500000 0.500000 0.000000 K\n0.250000 0.750000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 K\n0.021255 0.521255 0.500000 Np\n0.271255 0.271255 0.000000 Np\n0.728745 0.728745 0.000000 Np\n0.478745 0.978745 0.500000 Np\n0.230819 0.464536 0.151976 O\n0.828843 0.480819 0.266283 O\n0.214536 0.562560 0.733717 O\n0.312560 0.078843 0.848024 O\n0.519181 0.785464 0.348024 O\n0.921157 0.769181 0.233717 O\n0.535464 0.687440 0.766283 O\n0.437440 0.171157 0.651976 O\n0.748649 0.067493 0.775819 F\n0.722830 0.998649 0.181155 F\n0.817493 0.541675 0.818845 F\n0.291675 0.972830 0.224181 F\n0.001351 0.182507 0.724181 F\n0.027170 0.251351 0.318845 F\n0.932507 0.708325 0.681155 F\n0.458325 0.277170 0.275819 F\n0.604642 0.104642 0.500000 F\n0.854642 0.854642 0.000000 F\n0.145358 0.145358 0.000000 F\n0.895358 0.395358 0.500000 F\n0.512579 0.388739 0.162895 F\n0.099683 0.762579 0.623840 F\n0.138739 0.475844 0.376160 F\n0.225844 0.349683 0.837105 F\n0.237421 0.861261 0.337105 F\n0.650317 0.487421 0.876160 F\n0.611261 0.774156 0.123840 F\n0.524156 0.900317 0.662895 F\n","nsites":44,"nelements":4,"elements":["K","Np","O","F"],"chemical_system":"F-K-Np-O","density":4.035847144697138,"density_atomic":0.055548882235204926,"volume":792.095146283868,"volume_molar":10.841155605077828,"formula_full":"K12 Np4 O8 F20","formula_reduced":"K3NpO2F5","formula_anonymous":"AB2C3D5","energy":-287.22507203,"energy_per_atom":-6.527842546136363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-272.48907203,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9901048,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.446000Z","spacegroup":88},{"id":"mp-1183147","created_at":"2022-09-04T14:47:59.250230Z","structure_string":"Al2 Fe1 Rh1\n1.0\n0.000000 2.944279 2.944279\n2.944279 0.000000 2.944279\n2.944279 2.944279 0.000000\nAl Fe Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Al","Fe","Rh"],"chemical_system":"Al-Fe-Rh","density":6.919543260343665,"density_atomic":0.0783597625908372,"volume":51.04660692869085,"volume_molar":7.68524630612419,"formula_full":"Al2 Fe1 Rh1","formula_reduced":"Al2FeRh","formula_anonymous":"ABC2","energy":-26.11163872,"energy_per_atom":-6.52790968,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.11163872,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0165518,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.299000Z","spacegroup":225},{"id":"mp-1206369","created_at":"2022-09-04T14:47:59.258947Z","structure_string":"Sc1 Pd2 Pb1\n1.0\n0.000000 3.350302 3.350302\n3.350302 0.000000 3.350302\n3.350302 3.350302 0.000000\nSc Pd Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.000000 0.000000 0.000000 Pb\n","nsites":4,"nelements":3,"elements":["Sc","Pd","Pb"],"chemical_system":"Pb-Pd-Sc","density":10.26635710838581,"density_atomic":0.05318364830742123,"volume":75.2110870032555,"volume_molar":11.32329381615528,"formula_full":"Sc1 Pd2 Pb1","formula_reduced":"ScPd2Pb","formula_anonymous":"ABC2","energy":-23.04387663,"energy_per_atom":-5.7609691575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.04387663,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001143,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.261000Z","spacegroup":225}]}