{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=12127","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=12125","results":[{"id":"mp-1073263","created_at":"2022-09-04T14:40:21.720400Z","structure_string":"Mg4 Si8\n1.0\n3.731697 0.000000 0.000000\n0.000000 6.784847 0.000000\n0.000000 0.131885 8.879632\nMg Si\n4 8\ndirect\n0.500000 0.974170 0.015182 Mg\n0.000000 0.435727 0.461825 Mg\n0.000000 0.519387 0.001245 Mg\n0.500000 0.085988 0.486560 Mg\n0.500000 0.679869 0.786045 Si\n0.000000 0.122158 0.237815 Si\n0.000000 0.819454 0.391630 Si\n0.500000 0.346160 0.703903 Si\n0.000000 0.152934 0.795412 Si\n0.500000 0.688725 0.253723 Si\n0.500000 0.339497 0.202272 Si\n0.000000 0.835931 0.664386 Si\n","nsites":12,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.3775741544410494,"density_atomic":0.0533752406816815,"volume":224.82334218529203,"volume_molar":11.282648439778956,"formula_full":"Mg4 Si8","formula_reduced":"MgSi2","formula_anonymous":"AB2","energy":-47.81588259,"energy_per_atom":-3.9846568825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.38388259,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0150686,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.043000Z","spacegroup":6},{"id":"mp-1344591","created_at":"2022-09-04T14:40:21.292117Z","structure_string":"Ba2 Mn3 Tl2 O10\n1.0\n3.783713 0.000000 0.000000\n-0.009766 3.786376 0.000000\n-0.166496 -0.066178 18.174856\nBa Mn Tl O\n2 3 2 10\ndirect\n0.217453 0.196510 0.269637 Ba\n0.781111 0.708846 0.729164 Ba\n0.292989 0.207680 0.858934 Mn\n0.719583 0.693497 0.139290 Mn\n0.233614 0.706613 0.997867 Mn\n0.726464 0.705111 0.435834 Tl\n0.248261 0.207755 0.565519 Tl\n0.288763 0.708822 0.838303 O\n0.271506 0.205592 0.676218 O\n0.787174 0.210685 0.830261 O\n0.731339 0.731702 0.550619 O\n0.733985 0.705562 0.032870 O\n0.218465 0.692889 0.160409 O\n0.715960 0.702665 0.324578 O\n0.714744 0.195082 0.168609 O\n0.224367 0.233717 0.450667 O\n0.244688 0.205976 0.964274 O\n","nsites":17,"nelements":4,"elements":["Ba","Mn","Tl","O"],"chemical_system":"Ba-Mn-O-Tl","density":6.429767422557811,"density_atomic":0.06528839869491257,"volume":260.38316668539585,"volume_molar":9.223906360670567,"formula_full":"Ba2 Mn3 Tl2 O10","formula_reduced":"Ba2Mn3Tl2O10","formula_anonymous":"A2B2C3D10","energy":-117.14455479,"energy_per_atom":-6.890856164117647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.27055479,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.1358801,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.897000Z","spacegroup":1},{"id":"mp-1299412","created_at":"2022-09-04T14:40:21.331544Z","structure_string":"Li8 Mn6 Sb2 O16\n1.0\n3.463764 4.298566 2.619538\n5.261242 4.813520 -7.980779\n-5.252005 1.681705 -2.607510\nLi Mn Sb O\n8 6 2 16\ndirect\n0.500865 0.746743 0.752657 Li\n0.501274 0.246563 0.252589 Li\n0.000980 0.500777 0.000351 Li\n0.000871 0.000828 0.500340 Li\n0.499799 0.500339 0.500022 Li\n0.499669 0.000454 0.999931 Li\n0.998903 0.750998 0.250428 Li\n0.998761 0.251027 0.750313 Li\n0.499148 0.250775 0.749748 Mn\n0.000052 0.250848 0.249505 Mn\n0.502558 0.996958 0.501071 Mn\n0.499036 0.750823 0.249827 Mn\n0.999717 0.750875 0.749467 Mn\n0.502585 0.496960 0.001015 Mn\n0.999440 0.000786 0.999896 Sb\n0.999531 0.500716 0.499908 Sb\n0.228004 0.140294 0.579010 O\n0.227938 0.640343 0.079100 O\n0.774215 0.359462 0.917451 O\n0.774144 0.859474 0.417573 O\n0.768119 0.881842 0.890420 O\n0.768255 0.381795 0.390301 O\n0.225638 0.885127 0.346022 O\n0.225722 0.385112 0.845920 O\n0.768392 0.616669 0.623850 O\n0.768362 0.116673 0.123795 O\n0.233001 0.618237 0.611112 O\n0.233025 0.118215 0.111070 O\n0.770985 0.615200 0.152713 O\n0.771107 0.115156 0.652704 O\n0.229915 0.884947 0.875975 O\n0.229985 0.384986 0.375926 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Sb","O"],"chemical_system":"Li-Mn-O-Sb","density":4.430640428176247,"density_atomic":0.09651342356874726,"volume":331.560096168448,"volume_molar":6.239692404767283,"formula_full":"Li8 Mn6 Sb2 O16","formula_reduced":"Li4Mn3SbO8","formula_anonymous":"AB3C4D8","energy":-224.91276805,"energy_per_atom":-7.0285240015625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.91276805,"band_gap":0.1113999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0012014,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.578000Z","spacegroup":12},{"id":"mp-8208","created_at":"2022-09-04T14:40:21.335032Z","structure_string":"Mg1 Pt3 O6\n1.0\n3.587784 -5.011306 0.000000\n3.587784 5.011306 0.000000\n0.000000 0.000000 3.238153\nMg Pt O\n1 3 6\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.086177 0.339932 0.000000 O\n0.913823 0.660068 0.000000 O\n0.339932 0.086177 0.000000 O\n0.660068 0.913823 0.000000 O\n0.647045 0.352955 0.500000 O\n0.352955 0.647045 0.500000 O\n","nsites":10,"nelements":3,"elements":["Mg","Pt","O"],"chemical_system":"Mg-O-Pt","density":10.061770673065297,"density_atomic":0.0858806708450118,"volume":116.44063677666101,"volume_molar":7.012219048530852,"formula_full":"Mg1 Pt3 O6","formula_reduced":"Mg(PtO2)3","formula_anonymous":"AB3C6","energy":-63.29751764,"energy_per_atom":-6.329751764,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.17551764000001,"band_gap":0.3371999999999993,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.96e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.786000Z","spacegroup":65},{"id":"mp-754081","created_at":"2022-09-04T14:40:21.343719Z","structure_string":"Li6 Ti2 V6 O16\n1.0\n1.243158 3.888217 -0.000172\n6.511373 0.058884 0.004834\n-2.709252 -1.275180 -12.650892\nLi Ti V O\n6 2 6 16\ndirect\n0.939068 0.438303 0.320519 Li\n0.939158 0.938180 0.820530 Li\n0.175204 0.648602 0.002192 Li\n0.175148 0.148859 0.502305 Li\n0.060448 0.055683 0.179856 Li\n0.060488 0.555669 0.679897 Li\n0.295902 0.761042 0.356654 Ti\n0.295643 0.261034 0.856559 Ti\n0.390465 0.870570 0.654403 V\n0.710005 0.725730 0.149246 V\n0.609649 0.624371 0.847655 V\n0.390710 0.370495 0.154425 V\n0.710105 0.225635 0.649293 V\n0.609718 0.124412 0.347731 V\n0.338885 0.812053 0.494288 O\n0.339014 0.311672 0.994128 O\n0.434548 0.449121 0.322011 O\n0.434479 0.948933 0.821756 O\n0.882085 0.397355 0.164944 O\n0.882022 0.897216 0.664901 O\n0.224804 0.710923 0.164186 O\n0.224742 0.211267 0.664277 O\n0.774139 0.774355 0.326397 O\n0.774221 0.274174 0.826334 O\n0.122783 0.092421 0.341830 O\n0.122811 0.592487 0.841888 O\n0.560759 0.059925 0.184912 O\n0.560926 0.559719 0.685001 O\n0.649304 0.698258 0.000026 O\n0.649380 0.198129 0.500058 O\n","nsites":30,"nelements":4,"elements":["Li","Ti","V","O"],"chemical_system":"Li-O-Ti-V","density":3.6350346134616087,"density_atomic":0.09394885228065038,"volume":319.3226875234406,"volume_molar":6.4100205737588505,"formula_full":"Li6 Ti2 V6 O16","formula_reduced":"Li3TiV3O8","formula_anonymous":"AB3C3D8","energy":-239.91994152,"energy_per_atom":-7.997331384000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-218.72794152,"band_gap":0.8866,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.585000Z","spacegroup":8},{"id":"mp-1207485","created_at":"2022-09-04T14:40:21.416560Z","structure_string":"Y4 Mg2 Ti2 O12\n1.0\n5.638254 0.000000 0.000000\n0.000000 5.341768 0.000000\n0.000000 5.291384 7.723054\nY Mg Ti O\n4 2 2 12\ndirect\n0.065883 0.728387 0.752994 Y\n0.934117 0.271613 0.247006 Y\n0.565883 0.271613 0.747006 Y\n0.434117 0.728387 0.252994 Y\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.456871 0.871190 0.742747 O\n0.543129 0.128810 0.257253 O\n0.956871 0.128810 0.757253 O\n0.043129 0.871190 0.242747 O\n0.794285 0.749443 0.563616 O\n0.205715 0.250557 0.436384 O\n0.294285 0.250557 0.936384 O\n0.705715 0.749443 0.063616 O\n0.310548 0.646906 0.554703 O\n0.689452 0.353094 0.445297 O\n0.810548 0.353094 0.945297 O\n0.189452 0.646906 0.054703 O\n","nsites":20,"nelements":4,"elements":["Y","Mg","Ti","O"],"chemical_system":"Mg-O-Ti-Y","density":4.939824078791782,"density_atomic":0.0859827369909478,"volume":232.60483092211388,"volume_molar":7.003895166344852,"formula_full":"Y4 Mg2 Ti2 O12","formula_reduced":"Y2MgTiO6","formula_anonymous":"ABC2D6","energy":-177.84176817999997,"energy_per_atom":-8.892088409,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.59776818,"band_gap":3.2132000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.28e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.408000Z","spacegroup":14},{"id":"mp-559209","created_at":"2022-09-04T14:40:21.428363Z","structure_string":"Na8 Cu8 As8 O32\n1.0\n10.907963 0.000000 0.000000\n0.000000 6.139597 0.000000\n0.000000 0.274236 10.579256\nNa Cu As O\n8 8 8 32\ndirect\n0.630684 0.367917 0.381429 Na\n0.347402 0.128314 0.617641 Na\n0.369316 0.632083 0.618571 Na\n0.847402 0.871686 0.882359 Na\n0.869316 0.367917 0.881429 Na\n0.652598 0.871686 0.382359 Na\n0.130684 0.632083 0.118571 Na\n0.152598 0.128314 0.117641 Na\n0.099697 0.384332 0.722942 Cu\n0.120354 0.831187 0.510854 Cu\n0.599697 0.615668 0.777058 Cu\n0.400303 0.384332 0.222942 Cu\n0.379646 0.831187 0.010854 Cu\n0.900303 0.615668 0.277058 Cu\n0.879646 0.168813 0.489146 Cu\n0.620354 0.168813 0.989146 Cu\n0.635476 0.622271 0.091184 As\n0.864524 0.622271 0.591184 As\n0.620951 0.127118 0.678626 As\n0.364524 0.377729 0.908816 As\n0.879049 0.127118 0.178626 As\n0.379049 0.872882 0.321374 As\n0.120951 0.872882 0.821374 As\n0.135476 0.377729 0.408816 As\n0.035265 0.634891 0.840248 O\n0.205290 0.402351 0.552529 O\n0.704017 0.129274 0.817073 O\n0.038371 0.154671 0.411866 O\n0.461629 0.154671 0.911866 O\n0.784431 0.120897 0.046314 O\n0.204017 0.870726 0.682927 O\n0.529141 0.900851 0.665737 O\n0.553500 0.374246 0.122292 O\n0.946500 0.374246 0.622292 O\n0.268242 0.346600 0.783506 O\n0.470859 0.099149 0.334263 O\n0.535265 0.365109 0.659752 O\n0.970859 0.900851 0.165737 O\n0.768242 0.653400 0.716494 O\n0.794710 0.597649 0.447471 O\n0.961629 0.845329 0.588134 O\n0.705290 0.597649 0.947471 O\n0.715569 0.120897 0.546314 O\n0.464735 0.634891 0.340248 O\n0.053500 0.625754 0.377708 O\n0.446500 0.625754 0.877708 O\n0.294710 0.402351 0.052529 O\n0.731758 0.653400 0.216494 O\n0.231758 0.346600 0.283506 O\n0.538371 0.845329 0.088134 O\n0.295983 0.870726 0.182927 O\n0.284431 0.879103 0.453686 O\n0.964735 0.365109 0.159752 O\n0.795983 0.129274 0.317073 O\n0.029141 0.099149 0.834263 O\n0.215569 0.879103 0.953686 O\n","nsites":56,"nelements":4,"elements":["Na","Cu","As","O"],"chemical_system":"As-Cu-Na-O","density":4.227272542492847,"density_atomic":0.07904044546150328,"volume":708.4980312677368,"volume_molar":7.619062272280701,"formula_full":"Na8 Cu8 As8 O32","formula_reduced":"NaCuAsO4","formula_anonymous":"ABCD4","energy":-328.0881487,"energy_per_atom":-5.858716941071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.1041487,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:34:48.515000Z","spacegroup":14},{"id":"mp-1222827","created_at":"2022-09-04T14:40:21.435724Z","structure_string":"La1 Pr1 Mn4 Si4\n1.0\n3.996561 0.000000 0.000000\n0.000000 3.996561 0.000000\n0.000000 0.000000 10.588403\nLa Pr Mn Si\n1 1 4 4\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Pr\n0.000000 0.500000 0.250652 Mn\n0.500000 0.000000 0.749348 Mn\n0.500000 0.000000 0.250652 Mn\n0.000000 0.500000 0.749348 Mn\n0.500000 0.500000 0.128560 Si\n0.000000 0.000000 0.626373 Si\n0.000000 0.000000 0.373627 Si\n0.500000 0.500000 0.871440 Si\n","nsites":10,"nelements":4,"elements":["La","Pr","Mn","Si"],"chemical_system":"La-Mn-Pr-Si","density":6.008020104688435,"density_atomic":0.0591284705573003,"volume":169.12326508275208,"volume_molar":10.18484108119126,"formula_full":"La1 Pr1 Mn4 Si4","formula_reduced":"LaPr(MnSi)4","formula_anonymous":"ABC4D4","energy":-73.29862059,"energy_per_atom":-7.329862059,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.58262059,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0466823,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.097000Z","spacegroup":123},{"id":"mp-1034819","created_at":"2022-09-04T14:40:21.306564Z","structure_string":"Mg14 Si1 B1 O16\n1.0\n8.481021 0.000000 0.000000\n0.000000 8.705568 0.000000\n0.000000 0.000000 4.217845\nMg Si B O\n14 1 1 16\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n-0.000000 0.263023 0.500000 Mg\n-0.000000 0.736977 0.500000 Mg\n0.500000 0.252958 0.500000 Mg\n0.500000 0.747042 0.500000 Mg\n0.248422 0.000000 0.500000 Mg\n0.245305 0.500000 0.500000 Mg\n0.751578 0.000000 0.500000 Mg\n0.754695 0.500000 0.500000 Mg\n0.244794 0.260753 -0.000000 Mg\n0.244794 0.739247 -0.000000 Mg\n0.755206 0.260753 -0.000000 Mg\n0.755206 0.739247 -0.000000 Mg\n-0.000000 0.000000 -0.000000 Si\n-0.000000 0.500000 -0.000000 B\n0.227145 0.000000 -0.000000 O\n0.268712 0.500000 0.000000 O\n0.772855 0.000000 -0.000000 O\n0.731288 0.500000 -0.000000 O\n0.246986 0.248722 0.500000 O\n0.246986 0.751278 0.500000 O\n0.753014 0.248722 0.500000 O\n0.753014 0.751278 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.192658 -0.000000 O\n-0.000000 0.807342 -0.000000 O\n0.500000 0.240101 0.000000 O\n0.500000 0.759899 -0.000000 O\n","nsites":32,"nelements":4,"elements":["Mg","Si","B","O"],"chemical_system":"B-Mg-O-Si","density":3.386836652867917,"density_atomic":0.10275763767596335,"volume":311.4123750188674,"volume_molar":5.860528614904773,"formula_full":"Mg14 Si1 B1 O16","formula_reduced":"Mg14SiBO16","formula_anonymous":"ABC14D16","energy":-200.42759886,"energy_per_atom":-6.263362464375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.43559886,"band_gap":0.8164000000000007,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.055000Z","spacegroup":47},{"id":"mp-1228511","created_at":"2022-09-04T14:40:21.313098Z","structure_string":"Ba4 Ti8 Cr4 O26\n1.0\n-7.516090 -1.975177 1.088908\n0.000011 7.900590 -0.000140\n0.007922 3.950458 -9.239091\nBa Ti Cr O\n4 8 4 26\ndirect\n0.896288 0.110245 0.227642 Ba\n0.896285 0.610247 0.227655 Ba\n0.103699 0.889760 0.772338 Ba\n0.103708 0.389747 0.772347 Ba\n0.247602 0.018321 0.086980 Ti\n0.247622 0.518330 0.086990 Ti\n0.752383 0.981674 0.913007 Ti\n0.752404 0.481679 0.913020 Ti\n0.332094 0.864449 0.437149 Ti\n0.332095 0.364446 0.437150 Ti\n0.667903 0.135551 0.562852 Ti\n0.667910 0.635552 0.562853 Ti\n0.489735 0.742552 0.759730 Cr\n0.510255 0.757441 0.240284 Cr\n0.489766 0.242572 0.759742 Cr\n0.510235 0.257435 0.240268 Cr\n0.000003 0.500001 0.000002 O\n0.000002 0.999999 0.999995 O\n0.602108 0.864762 0.571520 O\n0.602119 0.364765 0.571525 O\n0.397874 0.135233 0.428476 O\n0.397888 0.635238 0.428477 O\n0.260464 0.756006 0.618154 O\n0.260482 0.256013 0.618162 O\n0.739516 0.243984 0.381836 O\n0.739539 0.743988 0.381852 O\n0.338156 0.625355 0.918387 O\n0.338159 0.125359 0.918388 O\n0.661844 0.374644 0.081614 O\n0.661854 0.874645 0.081614 O\n0.736979 0.741774 0.884859 O\n0.736989 0.241780 0.884866 O\n0.263013 0.258224 0.115129 O\n0.263028 0.758228 0.115137 O\n0.136273 0.881774 0.304624 O\n0.136272 0.381770 0.304628 O\n0.863727 0.118232 0.695372 O\n0.863728 0.618222 0.695375 O\n0.472829 0.996976 0.242454 O\n0.472832 0.496978 0.242455 O\n0.527171 0.003025 0.757547 O\n0.527169 0.503024 0.757547 O\n","nsites":42,"nelements":4,"elements":["Ba","Ti","Cr","O"],"chemical_system":"Ba-Cr-O-Ti","density":4.710800398186286,"density_atomic":0.07656422888937271,"volume":548.559041333592,"volume_molar":7.865475624003688,"formula_full":"Ba4 Ti8 Cr4 O26","formula_reduced":"Ba2Ti4Cr2O13","formula_anonymous":"A2B2C4D13","energy":-374.4875247700001,"energy_per_atom":-8.916369637380955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-348.62952477,"band_gap":1.8433,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.376000Z","spacegroup":12},{"id":"mp-6332","created_at":"2022-09-04T14:40:21.313840Z","structure_string":"Li4 Ti2 Si2 O10\n1.0\n6.476632 0.000000 0.000000\n0.000000 6.476632 0.000000\n0.000000 0.000000 4.491413\nLi Ti Si O\n4 2 2 10\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.500000 0.000000 0.906857 Ti\n0.000000 0.500000 0.093143 Ti\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.289946 O\n0.000000 0.500000 0.710054 O\n0.500000 0.294714 0.783960 O\n0.500000 0.705286 0.783960 O\n0.705286 0.500000 0.216040 O\n0.000000 0.794714 0.216040 O\n0.000000 0.205286 0.216040 O\n0.294714 0.500000 0.216040 O\n0.794714 0.000000 0.783960 O\n0.205286 0.000000 0.783960 O\n","nsites":18,"nelements":4,"elements":["Li","Ti","Si","O"],"chemical_system":"Li-O-Si-Ti","density":2.9937525749044394,"density_atomic":0.09554128339928465,"volume":188.40023243956938,"volume_molar":6.303181772043361,"formula_full":"Li4 Ti2 Si2 O10","formula_reduced":"Li2TiSiO5","formula_anonymous":"ABC2D5","energy":-139.60688481,"energy_per_atom":-7.755938045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.73688481,"band_gap":3.2153,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.931000Z","spacegroup":129},{"id":"mp-1222119","created_at":"2022-09-04T14:40:21.315013Z","structure_string":"Mg6 Al6 Cu6\n1.0\n12.495305 -2.626923 0.000000\n12.495305 2.626923 0.000000\n11.943039 0.000000 4.516324\nMg Al Cu\n6 6 6\ndirect\n0.268990 0.268990 0.268990 Mg\n0.731010 0.731010 0.731010 Mg\n0.961777 0.961777 0.961777 Mg\n0.038223 0.038223 0.038223 Mg\n0.819066 0.819066 0.819066 Mg\n0.180934 0.180934 0.180934 Mg\n0.276485 0.276485 0.777908 Al\n0.777908 0.276485 0.276485 Al\n0.276485 0.777908 0.276485 Al\n0.723515 0.723515 0.222092 Al\n0.222092 0.723515 0.723515 Al\n0.723515 0.222092 0.723515 Al\n0.611640 0.611640 0.611640 Cu\n0.388360 0.388360 0.388360 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n","nsites":18,"nelements":3,"elements":["Mg","Al","Cu"],"chemical_system":"Al-Cu-Mg","density":3.858833348982536,"density_atomic":0.06071041680772982,"volume":296.48948148397807,"volume_molar":9.919452174199611,"formula_full":"Mg6 Al6 Cu6","formula_reduced":"MgAlCu","formula_anonymous":"ABC","energy":-58.45648502,"energy_per_atom":-3.2475825011111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.45648502,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002483,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.215000Z","spacegroup":166}]}