{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=10229","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=10227","results":[{"id":"mp-1173267","created_at":"2022-09-04T14:43:24.417652Z","structure_string":"Sr4 La4 Mg2 Mn2 O16\n1.0\n3.644757 -0.100070 -1.356681\n-1.646949 14.478810 -5.477316\n0.484327 0.514586 6.840883\nSr La Mg Mn O\n4 4 2 2 16\ndirect\n0.358140 0.089442 0.714699 Sr\n0.355478 0.339389 0.713425 Sr\n0.641860 0.160558 0.285301 Sr\n0.644522 0.910611 0.286575 Sr\n0.355411 0.587685 0.725855 La\n0.361673 0.837578 0.722829 La\n0.638327 0.412422 0.277171 La\n0.644589 0.662315 0.274145 La\n0.996109 0.497747 0.995123 Mg\n0.003891 0.752253 0.004877 Mg\n0.001673 0.001196 0.002389 Mn\n0.998327 0.248804 0.997611 Mn\n0.000000 0.125000 0.000000 O\n0.002562 0.369516 0.004968 O\n0.000000 0.625000 0.000000 O\n0.997438 0.880484 0.995032 O\n0.157759 0.039593 0.312767 O\n0.156192 0.293296 0.317432 O\n0.170092 0.540388 0.357903 O\n0.173295 0.787376 0.352585 O\n0.496845 0.998859 0.990009 O\n0.503155 0.251141 0.009991 O\n0.504101 0.498587 0.010131 O\n0.495899 0.751413 0.989869 O\n0.842241 0.210407 0.687233 O\n0.826705 0.462624 0.647415 O\n0.829908 0.709612 0.642097 O\n0.843808 0.956704 0.682568 O\n","nsites":28,"nelements":5,"elements":["Sr","La","Mg","Mn","O"],"chemical_system":"La-Mg-Mn-O-Sr","density":5.754364896751639,"density_atomic":0.07347543268706347,"volume":381.07975653922006,"volume_molar":8.196128338091835,"formula_full":"Sr4 La4 Mg2 Mn2 O16","formula_reduced":"Sr2La2MgMnO8","formula_anonymous":"ABC2D2E8","energy":-215.2945631,"energy_per_atom":-7.689091539285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.9665631,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0116375,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.108000Z","spacegroup":12},{"id":"mp-1099089","created_at":"2022-09-04T14:43:24.459883Z","structure_string":"Mg14 Co1 Ni1\n1.0\n3.176565 -5.319151 0.000000\n3.176565 5.319151 0.000000\n0.000000 0.000000 9.597585\nMg Co Ni\n14 1 1\ndirect\n0.662159 0.337841 0.500000 Mg\n0.161980 0.838020 0.500000 Mg\n0.638120 0.864416 0.000000 Mg\n0.668741 0.832788 0.500000 Mg\n0.135584 0.361880 0.000000 Mg\n0.167212 0.331259 0.500000 Mg\n0.843896 0.654340 0.210807 Mg\n0.843896 0.654340 0.789193 Mg\n0.345660 0.156104 0.210807 Mg\n0.345660 0.156104 0.789193 Mg\n0.831771 0.168229 0.247068 Mg\n0.831771 0.168229 0.752932 Mg\n0.332710 0.667290 0.247849 Mg\n0.332710 0.667290 0.752151 Mg\n0.678789 0.321211 0.000000 Co\n0.179348 0.820652 0.000000 Ni\n","nsites":16,"nelements":3,"elements":["Mg","Co","Ni"],"chemical_system":"Co-Mg-Ni","density":2.3443609734131385,"density_atomic":0.04933191269185461,"volume":324.3336640916788,"volume_molar":12.207393614791545,"formula_full":"Mg14 Co1 Ni1","formula_reduced":"Mg14CoNi","formula_anonymous":"ABC14","energy":-34.2814551,"energy_per_atom":-2.14259094375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.2814551,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8993066,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.402000Z","spacegroup":38},{"id":"mp-1238814","created_at":"2022-09-04T14:43:24.487721Z","structure_string":"H4 N1\n1.0\n3.933699 0.000000 0.000000\n0.000000 3.933699 0.000000\n0.000000 0.000000 3.933699\nH N\n4 1\ndirect\n0.154360 0.154360 0.845640 H\n0.154360 0.845640 0.154360 H\n0.845640 0.154360 0.154360 H\n0.845640 0.845640 0.845640 H\n0.000000 0.000000 0.000000 N\n","nsites":5,"nelements":2,"elements":["H","N"],"chemical_system":"H-N","density":0.49209072452533437,"density_atomic":0.08214225634577589,"volume":60.87001042377772,"volume_molar":7.3313554166931345,"formula_full":"H4 N1","formula_reduced":"H4N","formula_anonymous":"AB4","energy":-21.97556789,"energy_per_atom":-4.395113578,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.61456789,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002376,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.786000Z","spacegroup":215},{"id":"mp-1036281","created_at":"2022-09-04T14:43:24.448837Z","structure_string":"K1 Mg14 Mn1 O16\n1.0\n8.598809 0.000000 0.000000\n0.000000 8.598809 0.000000\n0.000000 0.000000 4.427301\nK Mg Mn O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.250849 0.000000 0.500000 Mg\n0.749151 0.000000 0.500000 Mg\n0.249666 0.500000 0.500000 Mg\n0.750334 0.500000 0.500000 Mg\n0.000000 0.250849 0.500000 Mg\n0.500000 0.249666 0.500000 Mg\n0.000000 0.749151 0.500000 Mg\n0.500000 0.750334 0.500000 Mg\n0.252342 0.252342 0.000000 Mg\n0.747658 0.252342 0.000000 Mg\n0.252342 0.747658 0.000000 Mg\n0.747658 0.747658 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.235063 0.000000 O\n0.500000 0.223555 0.000000 O\n0.000000 0.764937 0.000000 O\n0.500000 0.776445 0.000000 O\n0.248459 0.248459 0.500000 O\n0.751541 0.248459 0.500000 O\n0.248459 0.751541 0.500000 O\n0.751541 0.751541 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.235063 0.000000 0.000000 O\n0.764937 0.000000 0.000000 O\n0.223555 0.500000 0.000000 O\n0.776445 0.500000 0.000000 O\n","nsites":32,"nelements":4,"elements":["K","Mg","Mn","O"],"chemical_system":"K-Mg-Mn-O","density":3.501622053600656,"density_atomic":0.09775395201617286,"volume":327.3524940935971,"volume_molar":6.16050874240222,"formula_full":"K1 Mg14 Mn1 O16","formula_reduced":"KMg14MnO16","formula_anonymous":"ABC14D16","energy":-201.01288531,"energy_per_atom":-6.2816526659375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.35288531,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0500355,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.788000Z","spacegroup":123},{"id":"mp-1096500","created_at":"2022-09-04T14:43:24.469524Z","structure_string":"Tl1 In1 Hg2\n1.0\n-6.140723 6.281131 8.838923\n6.140723 -6.281131 8.838923\n6.140723 6.281131 -8.838923\nTl In Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.000000 0.246436 0.246436 Hg\n0.000000 0.753564 0.753564 Hg\n","nsites":4,"nelements":3,"elements":["Tl","In","Hg"],"chemical_system":"Hg-In-Tl","density":0.8771923341176318,"density_atomic":0.002933210904544509,"volume":1363.6932802215767,"volume_molar":205.30882217401148,"formula_full":"Tl1 In1 Hg2","formula_reduced":"TlInHg2","formula_anonymous":"ABC2","energy":-2.83333866,"energy_per_atom":-0.708334665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.83333866,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.6775584,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.254000Z","spacegroup":71},{"id":"mp-1222009","created_at":"2022-09-04T14:43:24.514244Z","structure_string":"Mg4 Mn4 B8 O20\n1.0\n-0.223273 6.051215 -1.566706\n-6.464384 -0.013922 0.055924\n3.249534 0.015684 9.479194\nMg Mn B O\n4 4 8 20\ndirect\n0.631075 0.566979 0.901053 Mg\n0.631059 0.066859 0.901074 Mg\n0.368936 0.433172 0.098912 Mg\n0.368991 0.933144 0.098892 Mg\n0.784172 0.690422 0.637651 Mn\n0.215976 0.309297 0.362506 Mn\n0.783801 0.190668 0.637496 Mn\n0.215884 0.809058 0.362289 Mn\n0.320889 0.670093 0.653584 B\n0.320888 0.170101 0.653560 B\n0.679120 0.329937 0.346452 B\n0.679112 0.829897 0.346426 B\n0.121620 0.582004 0.834663 B\n0.121625 0.082013 0.834671 B\n0.878370 0.418009 0.165340 B\n0.878371 0.917992 0.165333 B\n0.282332 0.633262 0.508549 O\n0.282333 0.133290 0.508532 O\n0.717698 0.366773 0.491465 O\n0.717673 0.866754 0.491477 O\n0.304497 0.605590 0.947955 O\n0.304497 0.105592 0.947951 O\n0.695527 0.394454 0.052051 O\n0.695524 0.894449 0.052057 O\n0.909811 0.522727 0.824647 O\n0.909826 0.022732 0.824650 O\n0.090174 0.477306 0.175363 O\n0.090181 0.977281 0.175361 O\n0.521614 0.743991 0.750897 O\n0.521576 0.243994 0.750899 O\n0.478399 0.256071 0.249129 O\n0.478439 0.756040 0.249099 O\n0.142421 0.622376 0.705163 O\n0.142397 0.122395 0.705147 O\n0.857565 0.377649 0.294847 O\n0.857629 0.877629 0.294860 O\n","nsites":36,"nelements":4,"elements":["Mg","Mn","B","O"],"chemical_system":"B-Mg-Mn-O","density":3.229177977169429,"density_atomic":0.09676937962242999,"volume":372.01850565192245,"volume_molar":6.223188351002035,"formula_full":"Mg4 Mn4 B8 O20","formula_reduced":"MgMnB2O5","formula_anonymous":"ABC2D5","energy":-295.26385216999995,"energy_per_atom":-8.201773671388887,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-274.85185217,"band_gap":3.3863,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.418000Z","spacegroup":2},{"id":"mp-1247784","created_at":"2022-09-04T14:43:24.599001Z","structure_string":"Cs2 Se1\n1.0\n-2.752410 -4.767460 0.000292\n-2.752533 4.767532 0.000001\n0.000585 0.000336 -6.626414\nCs Se\n2 1\ndirect\n0.333379 0.666690 0.239019 Cs\n0.666621 0.333310 0.760981 Cs\n0.000000 0.000000 0.000000 Se\n","nsites":3,"nelements":2,"elements":["Cs","Se"],"chemical_system":"Cs-Se","density":3.2919859867426093,"density_atomic":0.017250414214590563,"volume":173.90886750200883,"volume_molar":34.91012265030956,"formula_full":"Cs2 Se1","formula_reduced":"Cs2Se","formula_anonymous":"AB2","energy":-8.60615277,"energy_per_atom":-2.8687175899999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.13415277,"band_gap":1.2841,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030366,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.776000Z","spacegroup":164},{"id":"mp-1217575","created_at":"2022-09-04T14:43:24.641331Z","structure_string":"Th14 Ag51\n1.0\n6.500336 -11.258912 0.000000\n6.500336 11.258912 0.000000\n0.000000 0.000000 9.523670\nTh Ag\n14 51\ndirect\n0.666667 0.333333 0.306048 Th\n0.666667 0.333333 0.693952 Th\n0.936234 0.223434 0.000000 Th\n0.776566 0.712800 0.000000 Th\n0.287200 0.063766 0.000000 Th\n0.380614 0.447483 0.000000 Th\n0.552517 0.933130 0.000000 Th\n0.066870 0.619386 0.000000 Th\n0.341505 0.862948 0.500000 Th\n0.137052 0.478557 0.500000 Th\n0.521443 0.658495 0.500000 Th\n0.993021 0.805532 0.500000 Th\n0.194468 0.187489 0.500000 Th\n0.812511 0.006979 0.500000 Th\n0.289651 0.841684 0.152944 Ag\n0.158316 0.447967 0.152944 Ag\n0.552033 0.710349 0.152944 Ag\n0.048224 0.831742 0.151125 Ag\n0.168258 0.216482 0.151125 Ag\n0.783518 0.951776 0.151125 Ag\n0.048224 0.831742 0.848875 Ag\n0.168258 0.216482 0.848875 Ag\n0.783518 0.951776 0.848875 Ag\n0.289651 0.841684 0.847056 Ag\n0.158316 0.447967 0.847056 Ag\n0.552033 0.710349 0.847056 Ag\n0.001549 0.231902 0.331063 Ag\n0.768098 0.769647 0.331063 Ag\n0.230353 0.998451 0.331063 Ag\n0.328188 0.434354 0.332092 Ag\n0.565646 0.893834 0.332092 Ag\n0.106166 0.671812 0.332092 Ag\n0.328188 0.434354 0.667908 Ag\n0.565646 0.893834 0.667908 Ag\n0.106166 0.671812 0.667908 Ag\n0.001549 0.231902 0.668937 Ag\n0.768098 0.769647 0.668937 Ag\n0.230353 0.998451 0.668937 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.333333 0.666667 0.296113 Ag\n0.000000 0.000000 0.296310 Ag\n0.000000 0.000000 0.703690 Ag\n0.333333 0.666667 0.703887 Ag\n0.476569 0.067997 0.233728 Ag\n0.932003 0.408573 0.233728 Ag\n0.591427 0.523431 0.233728 Ag\n0.861525 0.602802 0.238586 Ag\n0.397198 0.258724 0.238586 Ag\n0.741276 0.138475 0.238586 Ag\n0.861525 0.602802 0.761414 Ag\n0.397198 0.258724 0.761414 Ag\n0.741276 0.138475 0.761414 Ag\n0.476569 0.067997 0.766272 Ag\n0.932003 0.408573 0.766272 Ag\n0.591427 0.523431 0.766272 Ag\n0.846326 0.274237 0.500000 Ag\n0.725763 0.572089 0.500000 Ag\n0.427911 0.153674 0.500000 Ag\n0.485883 0.393521 0.500000 Ag\n0.606479 0.092362 0.500000 Ag\n0.907638 0.514117 0.500000 Ag\n0.639130 0.197395 0.000000 Ag\n0.802605 0.441735 0.000000 Ag\n0.558265 0.360870 0.000000 Ag\n","nsites":65,"nelements":2,"elements":["Th","Ag"],"chemical_system":"Ag-Th","density":10.422723268114808,"density_atomic":0.04662800045922319,"volume":1394.0121677926843,"volume_molar":12.915288454769668,"formula_full":"Th14 Ag51","formula_reduced":"Th14Ag51","formula_anonymous":"A14B51","energy":-257.89883778,"energy_per_atom":-3.9676744273846154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-257.89883778,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0284274,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.185000Z","spacegroup":174},{"id":"mp-1180349","created_at":"2022-09-04T14:43:24.642461Z","structure_string":"Mn2 I4 O8\n1.0\n7.215554 0.000000 0.000000\n0.000000 5.944217 0.000000\n0.000000 5.416613 6.584159\nMn I O\n2 4 8\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.885280 0.690055 0.515241 I\n0.385280 0.309945 0.984759 I\n0.114720 0.309945 0.484759 I\n0.614720 0.690055 0.015241 I\n0.616660 0.963727 0.711781 O\n0.116660 0.036273 0.788219 O\n0.383340 0.036273 0.288219 O\n0.883340 0.963727 0.211781 O\n0.377669 0.639045 0.686659 O\n0.877669 0.360955 0.813341 O\n0.622331 0.360955 0.313341 O\n0.122331 0.639045 0.186659 O\n","nsites":14,"nelements":3,"elements":["Mn","I","O"],"chemical_system":"I-Mn-O","density":4.3835482319811545,"density_atomic":0.04957507603565495,"volume":282.39997029820074,"volume_molar":12.147516941111316,"formula_full":"Mn2 I4 O8","formula_reduced":"Mn(IO2)2","formula_anonymous":"AB2C4","energy":-75.25096292,"energy_per_atom":-5.37506878,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.41896292,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0818516,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.157000Z","spacegroup":14},{"id":"mp-703302","created_at":"2022-09-04T14:43:24.461441Z","structure_string":"Cd9 In20 Se40\n1.0\n12.628177 0.000000 0.000000\n4.269717 12.883802 0.000000\n5.977690 4.947294 11.756148\nCd In Se\n9 20 40\ndirect\n0.292507 0.908069 0.484548 Cd\n0.491359 0.705137 0.081001 Cd\n0.696592 0.504422 0.683317 Cd\n0.841789 0.845179 0.149326 Cd\n0.889507 0.304333 0.278903 Cd\n0.041995 0.648455 0.747714 Cd\n0.242248 0.446153 0.348924 Cd\n0.442602 0.244751 0.949644 Cd\n0.640486 0.047425 0.548283 Cd\n0.096137 0.896769 0.795187 In\n0.281502 0.686748 0.387453 In\n0.537584 0.946381 0.139113 In\n0.481338 0.486950 0.989463 In\n0.735457 0.746543 0.742095 In\n0.968113 0.998903 0.493144 In\n0.628269 0.848957 0.441488 In\n0.682472 0.287360 0.588181 In\n0.934112 0.541796 0.340296 In\n0.172307 0.804324 0.089413 In\n0.832569 0.647114 0.042271 In\n0.887768 0.085694 0.184423 In\n0.137940 0.336716 0.932309 In\n0.371606 0.600067 0.693157 In\n0.035598 0.439393 0.637911 In\n0.324140 0.150374 0.541762 In\n0.568340 0.397694 0.291688 In\n0.231227 0.248564 0.240209 In\n0.789812 0.201643 0.897111 In\n0.424196 0.053095 0.839677 In\n0.670442 0.000046 0.228161 Se\n0.329694 0.839091 0.176781 Se\n0.892973 0.984987 0.923872 Se\n0.248464 0.923297 0.870595 Se\n0.525661 0.840397 0.857842 Se\n0.870206 0.796876 0.828888 Se\n0.531786 0.638865 0.778198 Se\n0.454634 0.940390 0.585891 Se\n0.801442 0.867029 0.518026 Se\n0.113854 0.796211 0.522895 Se\n0.445168 0.725691 0.472837 Se\n0.732792 0.636541 0.460121 Se\n0.071369 0.597657 0.428373 Se\n0.984174 0.869274 0.240486 Se\n0.733380 0.439109 0.376315 Se\n0.657690 0.735796 0.188665 Se\n0.002611 0.661570 0.117117 Se\n0.309765 0.593520 0.124144 Se\n0.646603 0.524589 0.072366 Se\n0.937127 0.432727 0.053444 Se\n0.271039 0.395907 0.025793 Se\n0.183278 0.675789 0.837941 Se\n0.928052 0.243855 0.978552 Se\n0.862437 0.536537 0.780984 Se\n0.203780 0.469674 0.713985 Se\n0.513840 0.395109 0.723949 Se\n0.848564 0.321091 0.674343 Se\n0.138366 0.224571 0.688475 Se\n0.472062 0.200542 0.625657 Se\n0.386700 0.472728 0.440206 Se\n0.126946 0.041291 0.580880 Se\n0.060303 0.333387 0.389733 Se\n0.402930 0.264981 0.317698 Se\n0.710504 0.193361 0.322498 Se\n0.044246 0.122995 0.272802 Se\n0.331843 0.036006 0.260388 Se\n0.586626 0.273184 0.037610 Se\n0.258118 0.131114 0.992438 Se\n0.601409 0.067230 0.917106 Se\n0.784449 0.072874 0.641031 Se\n","nsites":69,"nelements":3,"elements":["Cd","In","Se"],"chemical_system":"Cd-In-Se","density":5.613915592902108,"density_atomic":0.03607441885823452,"volume":1912.7127250796923,"volume_molar":16.69365980271462,"formula_full":"Cd9 In20 Se40","formula_reduced":"Cd9(InSe2)20","formula_anonymous":"A9B20C40","energy":-247.3434328,"energy_per_atom":-3.5846874318840576,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-228.4634328,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0089182,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.731000Z","spacegroup":1},{"id":"mp-1223874","created_at":"2022-09-04T14:43:24.472566Z","structure_string":"In4 Ge1 Sb2 Te1\n1.0\n0.000000 0.000000 -6.563449\n6.563449 0.000000 0.000000\n3.281724 -6.557240 -3.281724\nIn Ge Sb Te\n4 1 2 1\ndirect\n0.023491 0.981328 0.995181 In\n0.268672 0.768672 0.504819 In\n0.481328 0.523491 0.995181 In\n0.726509 0.226509 0.504819 In\n0.375000 0.875000 0.750000 Ge\n0.625000 0.625000 0.250000 Sb\n0.125000 0.125000 0.250000 Sb\n0.875000 0.375000 0.750000 Te\n","nsites":8,"nelements":4,"elements":["In","Ge","Sb","Te"],"chemical_system":"Ge-In-Sb-Te","density":5.308440187486162,"density_atomic":0.028320745254768357,"volume":282.4784421466819,"volume_molar":21.264061753410438,"formula_full":"In4 Ge1 Sb2 Te1","formula_reduced":"In4GeSb2Te","formula_anonymous":"ABC2D4","energy":-28.79386237,"energy_per_atom":-3.59923279625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.98786237,"band_gap":9.999999999976694e-05,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007598,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.767000Z","spacegroup":121},{"id":"mp-1186270","created_at":"2022-09-04T14:43:24.676803Z","structure_string":"Nd3 Hf1\n1.0\n-2.504241 2.504241 4.963942\n2.504241 -2.504241 4.963942\n2.504241 2.504241 -4.963942\nNd Hf\n3 1\ndirect\n0.750000 0.250000 0.500000 Nd\n0.250000 0.750000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Hf\n","nsites":4,"nelements":2,"elements":["Nd","Hf"],"chemical_system":"Hf-Nd","density":8.150887121508106,"density_atomic":0.032123366915497,"volume":124.51994868789157,"volume_molar":18.74691646066151,"formula_full":"Nd3 Hf1","formula_reduced":"Nd3Hf","formula_anonymous":"AB3","energy":-23.46081938,"energy_per_atom":-5.865204845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.46081938,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0094049,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.815000Z","spacegroup":139}]}