{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=10265","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=10263","results":[{"id":"mp-850257","created_at":"2022-09-04T14:40:15.310990Z","structure_string":"Li6 V4 P8 H4 O32\n1.0\n4.872023 -8.077372 -0.017644\n4.872622 8.077711 -0.033448\n2.968863 -0.006992 7.294486\nLi V P H O\n6 4 8 4 32\ndirect\n0.462799 0.093803 0.353243 Li\n0.046273 0.413196 0.653748 Li\n0.336620 0.207849 0.852057 Li\n0.656629 0.791624 0.155552 Li\n0.956515 0.593112 0.345413 Li\n0.838433 0.702673 0.844058 Li\n0.252029 0.254426 0.488199 V\n0.500703 0.999866 0.997355 V\n0.999185 0.493568 0.003814 V\n0.745958 0.751945 0.500672 V\n0.259251 0.606728 0.269318 P\n0.757442 0.108880 0.265428 P\n0.645053 0.495088 0.229695 P\n0.143527 0.992263 0.233041 P\n0.356600 0.508600 0.760220 P\n0.856376 0.013959 0.764379 P\n0.740437 0.392770 0.733550 P\n0.239703 0.894454 0.739725 P\n0.746796 0.252808 0.497166 H\n0.258134 0.764855 0.516907 H\n0.481355 0.490154 0.982352 H\n0.988433 0.999003 0.993072 H\n0.123180 0.061598 0.054686 O\n0.165245 0.113007 0.354726 O\n0.014206 0.189897 0.645024 O\n0.239545 0.060273 0.687514 O\n0.625556 0.081763 0.153747 O\n0.132834 0.582442 0.164430 O\n0.278578 0.450525 0.318703 O\n0.486039 0.314964 0.349893 O\n0.680282 0.137541 0.436897 O\n0.186112 0.629717 0.447647 O\n0.330694 0.376744 0.652399 O\n0.194567 0.512855 0.808003 O\n0.697957 0.026315 0.821320 O\n0.624384 0.567737 0.050891 O\n0.930468 0.259974 0.140571 O\n0.436847 0.764711 0.145108 O\n0.561116 0.235234 0.851329 O\n0.063508 0.737426 0.851615 O\n0.378637 0.425563 0.937145 O\n0.807043 0.487266 0.190834 O\n0.309500 0.988345 0.190959 O\n0.660912 0.617962 0.339682 O\n0.813192 0.370777 0.552028 O\n0.315021 0.875907 0.556588 O\n0.511518 0.681345 0.644103 O\n0.736799 0.556422 0.687898 O\n0.866194 0.410492 0.838523 O\n0.359826 0.914385 0.857850 O\n0.760144 0.945109 0.309423 O\n0.988085 0.816317 0.353670 O\n0.833594 0.884091 0.665161 O\n0.879503 0.938660 0.946532 O\n","nsites":54,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":2.912509646884648,"density_atomic":0.09384874861357155,"volume":575.3939269062455,"volume_molar":6.41685781533067,"formula_full":"Li6 V4 P8 H4 O32","formula_reduced":"Li3V2P4(HO8)2","formula_anonymous":"A2B2C3D4E16","energy":-399.75376202,"energy_per_atom":-7.402847444814815,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-370.96976202,"band_gap":0.9344,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999975,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.937000Z","spacegroup":1},{"id":"mp-777568","created_at":"2022-09-04T14:40:15.349901Z","structure_string":"Li6 Mn12 P12 O48\n1.0\n8.702661 0.000000 0.000000\n-2.335105 8.744171 0.000000\n-2.036238 -3.854022 11.750664\nLi Mn P O\n6 12 12 48\ndirect\n0.998052 0.871660 0.882635 Li\n0.502556 0.493422 0.981089 Li\n0.007031 0.615502 0.598676 Li\n0.495451 0.004670 0.519714 Li\n0.503400 0.751993 0.250544 Li\n0.987949 0.141443 0.136702 Li\n0.619150 0.893249 0.958730 Mn\n0.279694 0.477125 0.758008 Mn\n0.938079 0.487498 0.871866 Mn\n0.059866 0.011879 0.626062 Mn\n0.375828 0.602733 0.538280 Mn\n0.718380 0.018685 0.740291 Mn\n0.276479 0.993717 0.264741 Mn\n0.614568 0.396078 0.463291 Mn\n0.936188 0.989916 0.368174 Mn\n0.064493 0.516561 0.133011 Mn\n0.732561 0.506259 0.241084 Mn\n0.383798 0.101427 0.034829 Mn\n0.120619 0.233456 0.892424 P\n0.333012 0.869570 0.744081 P\n0.711546 0.277360 0.980529 P\n0.665363 0.630367 0.755473 P\n0.124849 0.739908 0.394392 P\n0.288409 0.222778 0.520233 P\n0.711388 0.771665 0.478141 P\n0.875189 0.265898 0.608397 P\n0.342797 0.379216 0.248644 P\n0.288143 0.728025 0.021180 P\n0.655121 0.115815 0.246361 P\n0.880546 0.767894 0.109112 P\n0.036816 0.355620 0.952851 O\n0.390978 0.931177 0.875879 O\n0.164910 0.635014 0.903461 O\n0.159288 0.131163 0.970531 O\n0.155336 0.882005 0.707800 O\n0.539721 0.279241 0.001400 O\n0.275138 0.331577 0.868245 O\n0.457934 0.957805 0.689831 O\n0.006053 0.386167 0.716100 O\n0.693060 0.815600 0.799152 O\n0.307862 0.685275 0.702204 O\n0.542926 0.543201 0.811208 O\n0.733279 0.366647 0.891094 O\n0.036349 0.862335 0.448899 O\n0.729871 0.110260 0.929800 O\n0.843525 0.618519 0.792544 O\n0.163687 0.656872 0.483143 O\n0.274105 0.390953 0.572492 O\n0.834295 0.865313 0.596319 O\n0.606428 0.570205 0.624080 O\n0.265594 0.135346 0.611242 O\n0.540391 0.771298 0.494406 O\n0.279188 0.833133 0.366016 O\n0.010707 0.892038 0.215923 O\n0.991907 0.111962 0.784142 O\n0.723080 0.165122 0.634459 O\n0.460393 0.220319 0.499825 O\n0.730219 0.849962 0.381218 O\n0.394914 0.428175 0.381963 O\n0.168081 0.135152 0.400193 O\n0.734460 0.602374 0.433674 O\n0.831224 0.370506 0.535149 O\n0.165359 0.386193 0.207453 O\n0.265708 0.897662 0.065806 O\n0.959182 0.146109 0.545231 O\n0.270333 0.650501 0.118798 O\n0.471510 0.489412 0.208545 O\n0.669294 0.294752 0.299201 O\n0.324753 0.197570 0.199718 O\n0.999050 0.614952 0.286331 O\n0.530535 0.003907 0.288135 O\n0.727476 0.673837 0.137680 O\n0.458592 0.725661 0.005190 O\n0.828158 0.094893 0.271036 O\n0.846239 0.864812 0.027251 O\n0.834984 0.362416 0.100819 O\n0.596849 0.070582 0.112713 O\n0.964289 0.643373 0.051419 O\n","nsites":78,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.4179499339011064,"density_atomic":0.08722911895365744,"volume":894.1968110607579,"volume_molar":6.903819311988473,"formula_full":"Li6 Mn12 P12 O48","formula_reduced":"LiMn2(PO4)2","formula_anonymous":"AB2C2D8","energy":-620.32079003,"energy_per_atom":-7.952830641410257,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-567.32879003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":54.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.589000Z","spacegroup":1},{"id":"mp-1080439","created_at":"2022-09-04T14:40:15.354460Z","structure_string":"P8 Ru2\n1.0\n4.701934 0.000000 0.000000\n0.000000 4.720141 0.000000\n0.000000 1.174139 7.056648\nP Ru\n8 2\ndirect\n0.191723 0.215006 0.251041 P\n0.691723 0.784994 0.248959 P\n0.808277 0.784994 0.748959 P\n0.308277 0.215006 0.751041 P\n0.649778 0.378723 0.911516 P\n0.149778 0.621277 0.588484 P\n0.350222 0.621277 0.088484 P\n0.850222 0.378723 0.411516 P\n0.500000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n","nsites":10,"nelements":2,"elements":["P","Ru"],"chemical_system":"P-Ru","density":4.770503144424128,"density_atomic":0.06385134423564481,"volume":156.61377406707018,"volume_molar":9.431501923867344,"formula_full":"P8 Ru2","formula_reduced":"P4Ru","formula_anonymous":"AB4","energy":-66.16830772,"energy_per_atom":-6.616830772,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.16830772,"band_gap":0.7336999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.091000Z","spacegroup":14},{"id":"mp-976424","created_at":"2022-09-04T14:40:15.365346Z","structure_string":"Li1 La3\n1.0\n5.116069 0.000000 0.000000\n0.000000 5.116069 0.000000\n0.000000 0.000000 5.116069\nLi La\n1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n","nsites":4,"nelements":2,"elements":["Li","La"],"chemical_system":"La-Li","density":5.253572438862931,"density_atomic":0.029871072223778546,"volume":133.9088188744642,"volume_molar":20.160443906684204,"formula_full":"Li1 La3","formula_reduced":"LiLa3","formula_anonymous":"AB3","energy":-16.12603288,"energy_per_atom":-4.03150822,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.12603288,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1403712,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.885000Z","spacegroup":221},{"id":"mp-1078634","created_at":"2022-09-04T14:40:15.371376Z","structure_string":"La2 Fe2 O6\n1.0\n2.819822 1.628030 4.515426\n-2.819834 1.628028 4.515434\n-0.000008 -3.256069 4.515433\nLa Fe O\n2 2 6\ndirect\n0.250009 0.250010 0.250009 La\n0.750008 0.750007 0.750011 La\n0.000007 0.000008 0.000007 Fe\n0.500008 0.500007 0.500007 Fe\n0.325642 0.174371 0.750004 O\n0.174375 0.750003 0.325644 O\n0.750006 0.325644 0.174372 O\n0.825641 0.250006 0.674369 O\n0.250003 0.674371 0.825639 O\n0.674369 0.825642 0.250005 O\n","nsites":10,"nelements":3,"elements":["La","Fe","O"],"chemical_system":"Fe-La-O","density":6.481861665733535,"density_atomic":0.08040143608487117,"volume":124.37588788145615,"volume_molar":7.490091039721071,"formula_full":"La2 Fe2 O6","formula_reduced":"LaFeO3","formula_anonymous":"ABC3","energy":-85.02906978,"energy_per_atom":-8.502906978,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.39506978,"band_gap":1.9509,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.009000Z","spacegroup":167},{"id":"mp-1206827","created_at":"2022-09-04T14:40:15.407080Z","structure_string":"Cs1 Ti1 S2\n1.0\n-1.865076 -3.230407 0.000000\n1.865076 -3.230407 0.000000\n0.000000 -2.153605 7.964775\nCs Ti S\n1 1 2\ndirect\n0.833160 0.833160 0.500520 Cs\n0.002479 0.002479 0.992564 Ti\n0.612537 0.612537 0.162388 S\n0.391824 0.391824 0.824529 S\n","nsites":4,"nelements":3,"elements":["Cs","Ti","S"],"chemical_system":"Cs-S-Ti","density":4.237258377228928,"density_atomic":0.041677600522185776,"volume":95.9748150057421,"volume_molar":14.44934613448848,"formula_full":"Cs1 Ti1 S2","formula_reduced":"CsTiS2","formula_anonymous":"ABC2","energy":-22.95450292,"energy_per_atom":-5.73862573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.94850292,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000895,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.616000Z","spacegroup":160},{"id":"mp-675757","created_at":"2022-09-04T14:40:15.408621Z","structure_string":"Ba2 As6 O11\n1.0\n7.022324 0.000000 0.000000\n1.458913 6.880734 0.000000\n2.081173 0.668975 7.171044\nBa As O\n2 6 11\ndirect\n0.718688 0.815021 0.594914 Ba\n0.497171 0.313039 0.001402 Ba\n0.133058 0.448157 0.407845 As\n0.226891 0.696789 0.687036 As\n0.872591 0.864138 0.050664 As\n0.070986 0.137690 0.975351 As\n0.726798 0.305475 0.360258 As\n0.354690 0.824461 0.217012 As\n0.461432 0.928132 0.379169 O\n0.218108 0.073134 0.155491 O\n0.075226 0.680911 0.931409 O\n0.515223 0.459877 0.314931 O\n0.092892 0.488765 0.644118 O\n0.857004 0.475290 0.427321 O\n0.453058 0.577022 0.739305 O\n0.857723 0.308457 0.102103 O\n0.122474 0.725034 0.323641 O\n0.733729 0.981380 0.884943 O\n0.359958 0.024027 0.551988 O\n","nsites":19,"nelements":3,"elements":["Ba","As","O"],"chemical_system":"As-Ba-O","density":4.313988571648394,"density_atomic":0.05483471384683706,"volume":346.4958357049208,"volume_molar":10.982351028257195,"formula_full":"Ba2 As6 O11","formula_reduced":"Ba2As6O11","formula_anonymous":"A2B6C11","energy":-113.44996267000002,"energy_per_atom":-5.971050666842106,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.67896267,"band_gap":1.7849000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005937,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.887000Z","spacegroup":1},{"id":"mp-1641670","created_at":"2022-09-04T14:40:15.410871Z","structure_string":"Li24 Ni4 O16\n1.0\n6.600639 0.001833 -0.000247\n0.002253 6.598660 4.665313\n-0.002608 -6.598787 4.665490\nLi Ni O\n24 4 16\ndirect\n0.249991 0.475431 0.225405 Li\n0.249989 0.975376 0.725363 Li\n0.249987 0.225408 0.975390 Li\n0.249989 0.725406 0.475389 Li\n0.750150 0.526358 0.776388 Li\n0.749890 0.026391 0.276342 Li\n0.749999 0.776272 0.026257 Li\n0.750039 0.276266 0.526252 Li\n0.031120 0.641106 0.107577 Li\n0.030945 0.141156 0.607792 Li\n0.030149 0.858387 0.890858 Li\n0.030098 0.358151 0.390737 Li\n0.469913 0.640743 0.108133 Li\n0.469892 0.140834 0.608388 Li\n0.469007 0.857792 0.891138 Li\n0.468872 0.357583 0.391074 Li\n0.532072 0.139754 0.109549 Li\n0.532239 0.639557 0.609482 Li\n0.533470 0.359060 0.890349 Li\n0.533387 0.858954 0.390189 Li\n0.966554 0.140321 0.109075 Li\n0.966658 0.640168 0.608962 Li\n0.967947 0.359583 0.889722 Li\n0.967773 0.859500 0.389503 Li\n0.750063 0.996139 0.746151 Ni\n0.250043 0.495503 0.745601 Ni\n0.249954 0.995800 0.245900 Ni\n0.750005 0.496478 0.246267 Ni\n0.011115 0.606935 0.356340 O\n0.011108 0.106919 0.856350 O\n0.488859 0.606369 0.356926 O\n0.488909 0.106359 0.856889 O\n0.249363 0.237040 0.225974 O\n0.249424 0.737059 0.725852 O\n0.250670 0.475971 0.987013 O\n0.250593 0.975883 0.487130 O\n0.516484 0.395190 0.645657 O\n0.516312 0.895197 0.145695 O\n0.983721 0.395692 0.645201 O\n0.983624 0.895704 0.145236 O\n0.749476 0.762391 0.778681 O\n0.749376 0.262399 0.278892 O\n0.750608 0.528905 0.012342 O\n0.750516 0.028690 0.512403 O\n","nsites":44,"nelements":3,"elements":["Li","Ni","O"],"chemical_system":"Li-Ni-O","density":2.685836405034215,"density_atomic":0.10826492746333309,"volume":406.4104694930112,"volume_molar":5.562411485510453,"formula_full":"Li24 Ni4 O16","formula_reduced":"Li6NiO4","formula_anonymous":"AB4C6","energy":-231.01879578,"energy_per_atom":-5.250427176818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.86279578,"band_gap":3.1709,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0001265,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.034000Z","spacegroup":105},{"id":"mp-1074122","created_at":"2022-09-04T14:40:15.437938Z","structure_string":"Mg8 Si14\n1.0\n4.060992 0.000000 0.000000\n0.367462 8.132392 0.000000\n1.106330 1.475399 12.624182\nMg Si\n8 14\ndirect\n0.137509 0.131378 0.083903 Mg\n0.492484 0.390819 0.539194 Mg\n0.941377 0.163031 0.688958 Mg\n0.026454 0.642213 0.386570 Mg\n0.075024 0.500393 0.174242 Mg\n0.431678 0.412293 0.783257 Mg\n0.966566 0.827068 0.568953 Mg\n0.057685 0.176281 0.384790 Mg\n0.625034 0.381738 0.010957 Si\n0.405031 0.747012 0.015117 Si\n0.099672 0.544462 0.949029 Si\n0.749025 0.154802 0.904230 Si\n0.495833 0.877642 0.424728 Si\n0.473914 0.053604 0.569940 Si\n0.275238 0.988043 0.895030 Si\n0.202335 0.825138 0.186339 Si\n0.560423 0.432321 0.331122 Si\n0.880745 0.685596 0.780299 Si\n0.961594 0.501183 0.642011 Si\n0.590025 0.254032 0.202043 Si\n0.672913 0.956541 0.240081 Si\n0.386688 0.858000 0.735622 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.3404779015185766,"density_atomic":0.05276780090713696,"volume":416.92091809390627,"volume_molar":11.412529338863338,"formula_full":"Mg8 Si14","formula_reduced":"Mg4Si7","formula_anonymous":"A4B7","energy":-84.92314772,"energy_per_atom":-3.8601430781818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.91714772,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011182,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.998000Z","spacegroup":1},{"id":"mp-1293037","created_at":"2022-09-04T14:40:15.647007Z","structure_string":"Li4 V4 P4 O20\n1.0\n5.385865 -0.704159 0.807873\n-1.520897 7.108360 -0.320650\n1.544148 1.655449 11.280427\nLi V P O\n4 4 4 20\ndirect\n0.988696 0.408814 0.195989 Li\n0.488874 0.908647 0.696374 Li\n0.511110 0.091417 0.303629 Li\n0.011335 0.591236 0.804008 Li\n0.385532 0.341632 0.942806 V\n0.614723 0.658167 0.057111 V\n0.885233 0.841762 0.442905 V\n0.114623 0.158337 0.557145 V\n0.041204 0.994742 0.164065 P\n0.541290 0.494789 0.664103 P\n0.458667 0.505256 0.335884 P\n0.958749 0.005241 0.835961 P\n0.638160 0.385978 0.300888 O\n0.138364 0.886067 0.801169 O\n0.861626 0.113943 0.198843 O\n0.361861 0.614105 0.699127 O\n0.770910 0.011031 0.512112 O\n0.271129 0.510846 0.011976 O\n0.729207 0.488962 0.987934 O\n0.228933 0.989044 0.487938 O\n0.904590 0.799617 0.121041 O\n0.404409 0.299913 0.620948 O\n0.595477 0.700135 0.379042 O\n0.095391 0.200364 0.878994 O\n0.134762 0.939053 0.276805 O\n0.634964 0.438688 0.776715 O\n0.365117 0.561325 0.223219 O\n0.865125 0.060950 0.723244 O\n0.312832 0.121091 0.063870 O\n0.812791 0.621246 0.563922 O\n0.187104 0.378781 0.436053 O\n0.687212 0.878823 0.936178 O\n","nsites":32,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.7215963213855465,"density_atomic":0.07765244663118648,"volume":412.09261766065566,"volume_molar":7.755249217841658,"formula_full":"Li4 V4 P4 O20","formula_reduced":"LiVPO5","formula_anonymous":"ABCD5","energy":-247.95897178,"energy_per_atom":-7.748717868125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-227.41897178,"band_gap":1.3803999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.071000Z","spacegroup":2},{"id":"mp-1100720","created_at":"2022-09-04T14:40:15.673789Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n2.910237 0.000000 0.000000\n0.000000 8.352689 0.007654\n0.000000 0.140175 11.879370\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.254696 0.123419 Li\n0.500000 0.745304 0.376581 Li\n0.500000 0.264135 0.630857 Li\n0.000000 0.499335 0.995997 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.500665 0.504003 Li\n0.500000 0.735865 0.869143 Li\n0.000000 0.000000 0.750000 Li\n0.000000 0.500000 0.750000 Li\n0.000000 0.001105 0.997901 Mn\n0.000000 0.998895 0.502099 Mn\n0.000000 0.500000 0.250000 Co\n0.500000 0.274925 0.868171 Co\n0.500000 0.743964 0.126673 Co\n0.500000 0.256036 0.373327 Co\n0.500000 0.725075 0.631829 Co\n0.500000 0.999071 0.110312 O\n0.500000 0.496015 0.368849 O\n0.500000 0.002683 0.609207 O\n0.000000 0.229392 0.992148 O\n0.000000 0.751903 0.241818 O\n0.000000 0.235140 0.490826 O\n0.500000 0.488417 0.879088 O\n0.000000 0.756574 0.740450 O\n0.500000 0.503985 0.131151 O\n0.500000 0.000929 0.389688 O\n0.500000 0.511583 0.620912 O\n0.000000 0.764860 0.009174 O\n0.000000 0.248097 0.258182 O\n0.000000 0.770608 0.507852 O\n0.500000 0.997317 0.890793 O\n0.000000 0.243426 0.759550 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.157620949528429,"density_atomic":0.11081705276904279,"volume":288.7642217546805,"volume_molar":5.434308718307937,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.28549545,"energy_per_atom":-6.5089217328125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.76749545,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9998189,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.343000Z","spacegroup":10},{"id":"mp-1519502","created_at":"2022-09-04T14:40:15.684070Z","structure_string":"K1 Sm1 Fe4 O12\n1.0\n0.000000 3.843551 3.846666\n0.000000 -3.843551 3.846666\n7.663606 0.000000 0.000000\nK Sm Fe O\n1 1 4 12\ndirect\n0.997801 0.997801 0.500000 K\n0.508196 0.508196 0.000000 Sm\n0.499031 0.001523 0.746041 Fe\n0.499031 0.001523 0.253959 Fe\n0.001523 0.499031 0.253959 Fe\n0.001523 0.499031 0.746041 Fe\n0.740719 0.258757 0.767733 O\n0.258757 0.740719 0.767733 O\n0.258757 0.740719 0.232267 O\n0.740719 0.258757 0.232267 O\n0.735594 0.735594 0.753061 O\n0.264874 0.264874 0.779539 O\n0.264874 0.264874 0.220461 O\n0.735594 0.735594 0.246939 O\n0.512312 0.974563 0.000000 O\n0.493025 0.010707 0.500000 O\n0.974563 0.512312 0.000000 O\n0.010707 0.493025 0.500000 O\n","nsites":18,"nelements":4,"elements":["K","Sm","Fe","O"],"chemical_system":"Fe-K-O-Sm","density":4.432032335663119,"density_atomic":0.07943139937318908,"volume":226.61063687712948,"volume_molar":7.58156196104067,"formula_full":"K1 Sm1 Fe4 O12","formula_reduced":"KSm(FeO3)4","formula_anonymous":"ABC4D12","energy":-124.28699103,"energy_per_atom":-6.904832835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.01899103,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.5502276,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.419000Z","spacegroup":38}]}