{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=10168","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=10166","results":[{"id":"mp-13376","created_at":"2022-09-04T14:39:08.017429Z","structure_string":"Sm4 Zn4 Rh4\n1.0\n4.118619 0.000000 0.000000\n0.000000 7.053297 0.000000\n0.000000 0.000000 8.217947\nSm Zn Rh\n4 4 4\ndirect\n0.250000 0.537592 0.186364 Sm\n0.750000 0.462408 0.813636 Sm\n0.250000 0.037592 0.313636 Sm\n0.750000 0.962408 0.686364 Sm\n0.250000 0.138121 0.935952 Zn\n0.750000 0.861879 0.064048 Zn\n0.250000 0.638121 0.564048 Zn\n0.750000 0.361879 0.435952 Zn\n0.750000 0.742022 0.379402 Rh\n0.250000 0.257978 0.620598 Rh\n0.750000 0.242022 0.120598 Rh\n0.250000 0.757978 0.879402 Rh\n","nsites":12,"nelements":3,"elements":["Sm","Zn","Rh"],"chemical_system":"Rh-Sm-Zn","density":8.866439922122693,"density_atomic":0.050265976037830236,"volume":238.7300704350948,"volume_molar":11.980550731707128,"formula_full":"Sm4 Zn4 Rh4","formula_reduced":"SmZnRh","formula_anonymous":"ABC","energy":-61.58402399,"energy_per_atom":-5.1320019991666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.58402399,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001808,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.770000Z","spacegroup":62},{"id":"mp-1221131","created_at":"2022-09-04T14:46:13.030261Z","structure_string":"P12 H40 N12 O32\n1.0\n-7.085873 0.000000 0.465945\n0.042167 0.000000 -10.255689\n0.000000 -15.783889 0.000000\nP H N O\n12 40 12 32\ndirect\n0.725682 0.303677 0.853318 P\n0.274318 0.196323 0.353318 P\n0.274318 0.696323 0.146682 P\n0.725682 0.803677 0.646682 P\n0.015882 0.257438 0.720772 P\n0.984118 0.242562 0.220772 P\n0.984118 0.742562 0.279228 P\n0.015882 0.757438 0.779228 P\n0.620468 0.291365 0.670126 P\n0.379532 0.208635 0.170126 P\n0.379532 0.708635 0.329874 P\n0.620468 0.791365 0.829874 P\n0.340001 0.132876 0.008547 H\n0.659999 0.367124 0.508547 H\n0.659999 0.867124 0.991453 H\n0.340001 0.632876 0.491453 H\n0.857959 0.188201 0.599601 H\n0.142041 0.311799 0.099601 H\n0.142041 0.811799 0.400399 H\n0.857959 0.688201 0.900399 H\n0.180621 0.436811 0.682729 H\n0.819379 0.063189 0.182729 H\n0.819379 0.563189 0.317271 H\n0.180621 0.936811 0.817271 H\n0.365907 0.158088 0.688231 H\n0.634093 0.341912 0.188231 H\n0.634093 0.841912 0.311769 H\n0.365907 0.658088 0.811769 H\n0.079660 0.422193 0.937731 H\n0.920340 0.077807 0.437731 H\n0.920340 0.577807 0.062269 H\n0.079660 0.922193 0.562269 H\n0.613604 0.464338 0.765426 H\n0.386396 0.035662 0.265426 H\n0.386396 0.535662 0.234574 H\n0.613604 0.964338 0.734574 H\n0.939821 0.144278 0.841276 H\n0.060179 0.355722 0.341276 H\n0.060179 0.855722 0.158724 H\n0.939821 0.644278 0.658724 H\n0.256838 0.252287 0.956816 H\n0.743162 0.247713 0.456816 H\n0.743162 0.747713 0.043184 H\n0.256838 0.752287 0.543184 H\n0.237419 0.475660 0.002125 H\n0.762581 0.024340 0.502125 H\n0.762581 0.524340 0.997875 H\n0.237419 0.975660 0.497875 H\n0.454910 0.175690 0.914060 H\n0.545090 0.324310 0.414060 H\n0.545090 0.824310 0.085940 H\n0.454910 0.675690 0.585940 H\n0.642807 0.367949 0.763208 N\n0.357193 0.132051 0.263208 N\n0.357193 0.632051 0.236792 N\n0.642807 0.867949 0.736792 N\n0.840703 0.249717 0.649892 N\n0.159297 0.250283 0.149892 N\n0.159297 0.750283 0.350108 N\n0.840703 0.749717 0.850108 N\n0.920167 0.233708 0.815859 N\n0.079833 0.266292 0.315859 N\n0.079833 0.766292 0.184141 N\n0.920167 0.733708 0.684141 N\n0.603804 0.183180 0.881210 O\n0.396196 0.316820 0.381210 O\n0.396196 0.816820 0.118790 O\n0.603804 0.683180 0.618790 O\n0.095542 0.405856 0.728260 O\n0.904458 0.094144 0.228260 O\n0.904458 0.594144 0.271740 O\n0.095542 0.905856 0.771740 O\n0.543545 0.376789 0.604031 O\n0.456455 0.123211 0.104031 O\n0.456455 0.623211 0.395969 O\n0.543545 0.876789 0.895969 O\n0.156072 0.162590 0.697321 O\n0.843928 0.337410 0.197321 O\n0.843928 0.837410 0.302679 O\n0.156072 0.662590 0.802679 O\n0.510637 0.154457 0.683719 O\n0.489363 0.345543 0.183719 O\n0.489363 0.845543 0.316281 O\n0.510637 0.654457 0.816281 O\n0.300798 0.160747 0.950491 O\n0.699202 0.339253 0.450491 O\n0.699202 0.839253 0.049509 O\n0.300798 0.660747 0.549509 O\n0.772955 0.411989 0.914494 O\n0.227045 0.088011 0.414494 O\n0.227045 0.588011 0.085506 O\n0.772955 0.911989 0.585506 O\n0.197085 0.400529 0.965231 O\n0.802915 0.099471 0.465231 O\n0.802915 0.599471 0.034769 O\n0.197085 0.900529 0.534769 O\n","nsites":96,"nelements":4,"elements":["P","H","N","O"],"chemical_system":"H-N-O-P","density":1.5814023311972596,"density_atomic":0.0837175368034585,"volume":1146.7131459610036,"volume_molar":7.193404141999571,"formula_full":"P12 H40 N12 O32","formula_reduced":"P3H10N3O8","formula_anonymous":"A3B3C8D10","energy":-591.7927793700001,"energy_per_atom":-6.1645081184375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-565.47677937,"band_gap":4.8632,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001808,"is_theoretical":true,"updated_at":"2021-11-28T01:37:22.880000Z","spacegroup":14},{"id":"mp-759985","created_at":"2022-09-04T14:39:20.382531Z","structure_string":"Bi12 O8 F20\n1.0\n5.958696 0.000000 0.000000\n0.000000 8.423308 0.000000\n0.000000 4.257202 12.857743\nBi O F\n12 8 20\ndirect\n0.425999 0.250000 0.000000 Bi\n0.574001 0.750000 0.000000 Bi\n0.025172 0.424529 0.143306 Bi\n0.457925 0.122573 0.294240 Bi\n0.974828 0.924529 0.143306 Bi\n0.542075 0.622573 0.294240 Bi\n0.000923 0.250000 0.500000 Bi\n0.999077 0.750000 0.500000 Bi\n0.457925 0.377427 0.705760 Bi\n0.025172 0.075471 0.856694 Bi\n0.542075 0.877427 0.705760 Bi\n0.974828 0.575471 0.856694 Bi\n0.215577 0.030149 0.002764 O\n0.784423 0.530149 0.002764 O\n0.243750 0.178547 0.158032 O\n0.756250 0.678547 0.158032 O\n0.243750 0.321453 0.841968 O\n0.756250 0.821453 0.841968 O\n0.215577 0.469851 0.997236 O\n0.784423 0.969851 0.997236 O\n0.770737 0.211398 0.163287 F\n0.229263 0.711398 0.163287 F\n0.428073 0.426652 0.218855 F\n0.125029 0.214636 0.347077 F\n0.571927 0.926652 0.218855 F\n0.728575 0.380526 0.367338 F\n0.874971 0.714636 0.347077 F\n0.271425 0.880526 0.367338 F\n0.234633 0.464916 0.450687 F\n0.234633 0.035084 0.549313 F\n0.765367 0.964916 0.450687 F\n0.765367 0.535084 0.549313 F\n0.728575 0.119474 0.632662 F\n0.125029 0.285364 0.652923 F\n0.271425 0.619474 0.632662 F\n0.428073 0.073348 0.781145 F\n0.874971 0.785364 0.652923 F\n0.571927 0.573348 0.781145 F\n0.770737 0.288602 0.836713 F\n0.229263 0.788602 0.836713 F\n","nsites":40,"nelements":3,"elements":["Bi","O","F"],"chemical_system":"Bi-F-O","density":7.759658774032887,"density_atomic":0.06198139409289111,"volume":645.3549582968764,"volume_molar":9.7160459975693,"formula_full":"Bi12 O8 F20","formula_reduced":"Bi3O2F5","formula_anonymous":"A2B3C5","energy":-221.33754079,"energy_per_atom":-5.53343851975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.60154079,"band_gap":3.4435,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001807,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.038000Z","spacegroup":13},{"id":"mp-979937","created_at":"2022-09-04T14:47:23.681611Z","structure_string":"Yb3 Ru1\n1.0\n0.000000 3.615142 3.615142\n3.615142 0.000000 3.615142\n3.615142 3.615142 0.000000\nYb Ru\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":2,"elements":["Yb","Ru"],"chemical_system":"Ru-Yb","density":10.898526361164325,"density_atomic":0.04233055021601983,"volume":94.4944013150629,"volume_molar":14.226464643780949,"formula_full":"Yb3 Ru1","formula_reduced":"Yb3Ru","formula_anonymous":"AB3","energy":-13.45352815,"energy_per_atom":-3.3633820375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.45352815,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001807,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.952000Z","spacegroup":225},{"id":"mp-1227729","created_at":"2022-09-04T14:39:11.000946Z","structure_string":"Ba1 Si1 Au1\n1.0\n2.194340 -3.800708 0.000000\n2.194340 3.800708 0.000000\n0.000000 0.000000 5.017660\nBa Si Au\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.500000 Si\n0.000000 0.000000 0.500000 Au\n","nsites":3,"nelements":3,"elements":["Ba","Si","Au"],"chemical_system":"Au-Ba-Si","density":7.189729513506004,"density_atomic":0.03584442387175143,"volume":83.69502633753488,"volume_molar":16.800774317218078,"formula_full":"Ba1 Si1 Au1","formula_reduced":"BaSiAu","formula_anonymous":"ABC","energy":-12.28445061,"energy_per_atom":-4.09481687,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.355450610000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001807,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.863000Z","spacegroup":187},{"id":"mp-556425","created_at":"2022-09-04T14:47:17.651140Z","structure_string":"Sb16 F64\n1.0\n12.255957 0.000000 0.000000\n0.000000 9.607517 0.000000\n0.000000 3.436190 11.309347\nSb F\n16 64\ndirect\n0.578666 0.240145 0.558518 Sb\n0.078666 0.759855 0.941482 Sb\n0.659123 0.772380 0.045225 Sb\n0.908670 0.201298 0.707666 Sb\n0.921334 0.240145 0.058518 Sb\n0.847404 0.384795 0.351380 Sb\n0.840877 0.772380 0.545225 Sb\n0.340877 0.227620 0.954775 Sb\n0.591330 0.201298 0.207666 Sb\n0.347404 0.615205 0.148620 Sb\n0.421334 0.759855 0.441482 Sb\n0.408670 0.798702 0.792334 Sb\n0.159123 0.227620 0.454775 Sb\n0.652596 0.384795 0.851380 Sb\n0.152596 0.615205 0.648620 Sb\n0.091330 0.798702 0.292334 Sb\n0.415577 0.647931 0.326333 F\n0.684405 0.625596 0.968922 F\n0.793205 0.137778 0.131794 F\n0.888088 0.341217 0.541296 F\n0.458161 0.354490 0.488167 F\n0.080380 0.857733 0.062844 F\n0.118637 0.087154 0.377846 F\n0.815595 0.625596 0.468922 F\n0.580380 0.142267 0.437156 F\n0.021726 0.331399 0.728002 F\n0.679338 0.383132 0.459098 F\n0.478274 0.331399 0.228002 F\n0.320662 0.616868 0.540902 F\n0.658749 0.177152 0.898297 F\n0.381363 0.087154 0.877846 F\n0.056356 0.139686 0.582388 F\n0.492207 0.092783 0.661096 F\n0.775730 0.887378 0.963376 F\n0.507793 0.907217 0.338904 F\n0.275730 0.112622 0.536624 F\n0.841251 0.177152 0.398297 F\n0.584423 0.352069 0.673667 F\n0.943644 0.860314 0.417612 F\n0.300146 0.655882 0.755172 F\n0.007793 0.092783 0.161096 F\n0.179338 0.616868 0.040902 F\n0.158749 0.822848 0.601703 F\n0.967327 0.652058 0.628230 F\n0.224270 0.112622 0.036624 F\n0.724270 0.887378 0.463376 F\n0.706795 0.137778 0.631794 F\n0.618637 0.912846 0.122154 F\n0.745542 0.669352 0.177258 F\n0.419620 0.857733 0.562844 F\n0.521726 0.668601 0.771998 F\n0.293205 0.862222 0.368206 F\n0.919620 0.142267 0.937156 F\n0.111912 0.658783 0.458704 F\n0.881363 0.912846 0.622154 F\n0.978274 0.668601 0.271998 F\n0.315595 0.374404 0.031078 F\n0.341251 0.822848 0.101703 F\n0.541839 0.645510 0.511833 F\n0.041839 0.354490 0.988167 F\n0.184405 0.374404 0.531078 F\n0.820662 0.383132 0.959098 F\n0.556356 0.860314 0.917612 F\n0.254458 0.330648 0.822742 F\n0.245542 0.330648 0.322742 F\n0.699854 0.344118 0.244828 F\n0.611912 0.341217 0.041296 F\n0.992207 0.907217 0.838904 F\n0.467327 0.347942 0.871770 F\n0.958161 0.645510 0.011833 F\n0.532673 0.652058 0.128230 F\n0.754458 0.669352 0.677258 F\n0.443644 0.139686 0.082388 F\n0.800146 0.344118 0.744828 F\n0.032673 0.347942 0.371770 F\n0.915577 0.352069 0.173667 F\n0.388088 0.658783 0.958704 F\n0.084423 0.647931 0.826333 F\n0.206795 0.862222 0.868206 F\n0.199854 0.655882 0.255172 F\n","nsites":80,"nelements":2,"elements":["Sb","F"],"chemical_system":"F-Sb","density":3.9454594739427256,"density_atomic":0.0600750398102705,"volume":1331.667864934533,"volume_molar":10.024364160255534,"formula_full":"Sb16 F64","formula_reduced":"SbF4","formula_anonymous":"AB4","energy":-401.22548778,"energy_per_atom":-5.015318597249999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-371.65748778,"band_gap":3.2371,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001806,"is_theoretical":false,"updated_at":"2021-11-28T01:38:06.339000Z","spacegroup":14},{"id":"mp-1112188","created_at":"2022-09-04T14:43:16.322546Z","structure_string":"K2 Al1 In1 F6\n1.0\n0.000000 4.439099 4.439099\n4.439099 0.000000 4.439099\n4.439099 4.439099 0.000000\nK Al In F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.792940 0.207060 0.207060 F\n0.207060 0.207060 0.792940 F\n0.207060 0.792940 0.792940 F\n0.207060 0.792940 0.207060 F\n0.792940 0.207060 0.792940 F\n0.792940 0.792940 0.207060 F\n","nsites":10,"nelements":4,"elements":["K","Al","In","F"],"chemical_system":"Al-F-In-K","density":3.1700316443884113,"density_atomic":0.05715911714683537,"volume":174.95021790331575,"volume_molar":10.535748382064394,"formula_full":"K2 Al1 In1 F6","formula_reduced":"K2AlInF6","formula_anonymous":"ABC2D6","energy":-51.59941348,"energy_per_atom":-5.159941348,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.82741348,"band_gap":3.8745,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001806,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.197000Z","spacegroup":225},{"id":"mp-20674","created_at":"2022-09-04T14:41:50.668524Z","structure_string":"Ba2 Y1 Cu3 O7\n1.0\n3.844668 0.000000 0.000000\n0.000000 3.926152 0.000000\n0.000000 0.000000 11.823664\nBa Y Cu O\n2 1 3 7\ndirect\n0.500000 0.500000 0.819391 Ba\n0.500000 0.500000 0.180609 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.646678 Cu\n0.000000 0.000000 0.353322 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.620653 O\n0.500000 0.000000 0.379347 O\n0.000000 0.500000 0.621651 O\n0.000000 0.500000 0.378349 O\n0.000000 0.000000 0.840820 O\n0.000000 0.000000 0.159180 O\n","nsites":13,"nelements":4,"elements":["Ba","Y","Cu","O"],"chemical_system":"Ba-Cu-O-Y","density":6.198285186087997,"density_atomic":0.0728392257062002,"volume":178.47526348558395,"volume_molar":8.267716606832884,"formula_full":"Ba2 Y1 Cu3 O7","formula_reduced":"Ba2YCu3O7","formula_anonymous":"AB2C3D7","energy":-85.5798035,"energy_per_atom":-6.5830618076923075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.7708035,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001806,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.114000Z","spacegroup":47},{"id":"mp-862836","created_at":"2022-09-04T14:40:56.753404Z","structure_string":"Pm1 Al1 Au2\n1.0\n0.000000 3.482079 3.482079\n3.482079 0.000000 3.482079\n3.482079 3.482079 0.000000\nPm Al Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Pm","Al","Au"],"chemical_system":"Al-Au-Pm","density":11.128950200094549,"density_atomic":0.047371172659323994,"volume":84.43953939596398,"volume_molar":12.71266979880151,"formula_full":"Pm1 Al1 Au2","formula_reduced":"PmAlAu2","formula_anonymous":"ABC2","energy":-17.6782467,"energy_per_atom":-4.419561675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.6782467,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001805,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.475000Z","spacegroup":225},{"id":"mp-1042329","created_at":"2022-09-04T14:43:16.346723Z","structure_string":"Ba2 Al1 Bi3 O8\n1.0\n4.311985 0.000000 0.000000\n0.000000 4.311985 0.000000\n0.000000 0.000000 13.632730\nBa Al Bi O\n2 1 3 8\ndirect\n0.500000 0.500000 0.146893 Ba\n0.500000 0.500000 0.853107 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.349819 Bi\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.650181 Bi\n0.000000 0.500000 0.406453 O\n0.500000 0.000000 0.406453 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.176431 O\n0.000000 0.500000 0.593547 O\n0.500000 0.000000 0.593547 O\n0.000000 0.000000 0.823569 O\n0.000000 0.500000 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Al","Bi","O"],"chemical_system":"Al-Ba-Bi-O","density":6.921669416850536,"density_atomic":0.05523199360086833,"volume":253.47627502223457,"volume_molar":10.903355767888348,"formula_full":"Ba2 Al1 Bi3 O8","formula_reduced":"Ba2AlBi3O8","formula_anonymous":"AB2C3D8","energy":-84.65322264,"energy_per_atom":-6.04665876,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.15722264,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001805,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.260000Z","spacegroup":123},{"id":"mp-695227","created_at":"2022-09-04T14:40:56.505199Z","structure_string":"Ca14 La6 Mg3 Ti17 O60\n1.0\n-5.480779 0.000000 0.000000\n-0.008347 5.548176 0.000000\n-0.016239 0.065646 -38.929150\nCa La Mg Ti O\n14 6 3 17 60\ndirect\n0.987618 0.039262 0.148658 Ca\n0.989185 0.038977 0.949832 Ca\n0.511065 0.539766 0.148691 Ca\n0.513705 0.541000 0.949738 Ca\n0.488140 0.459854 0.049228 Ca\n0.489260 0.459688 0.247472 Ca\n0.484943 0.456297 0.648570 Ca\n0.484920 0.456207 0.448307 Ca\n0.483386 0.456687 0.850042 Ca\n0.012246 0.960473 0.049326 Ca\n0.008006 0.961210 0.247381 Ca\n0.012308 0.963583 0.649009 Ca\n0.012032 0.963466 0.448751 Ca\n0.016390 0.961732 0.850461 Ca\n0.992254 0.030037 0.351640 La\n0.994246 0.029185 0.552198 La\n0.994401 0.028874 0.752645 La\n0.508805 0.532691 0.351520 La\n0.510592 0.533920 0.552049 La\n0.511086 0.533803 0.752491 La\n0.500568 0.000553 0.601606 Mg\n0.500516 0.000080 0.401573 Mg\n0.500639 0.000936 0.801966 Mg\n0.008976 0.501746 0.999324 Ti\n0.996006 0.498936 0.098455 Ti\n0.994674 0.498098 0.197518 Ti\n0.999902 0.503958 0.297061 Ti\n0.000769 0.499987 0.402678 Ti\n0.000467 0.500132 0.603388 Ti\n0.003228 0.500071 0.699193 Ti\n0.000670 0.500167 0.804171 Ti\n0.502211 0.998582 0.098199 Ti\n0.496233 0.004027 0.297636 Ti\n0.500847 0.000110 0.497575 Ti\n0.502217 0.003913 0.997987 Ti\n0.502436 0.000326 0.697842 Ti\n0.508710 0.992795 0.898442 Ti\n0.489852 0.995326 0.198468 Ti\n0.001539 0.500316 0.498847 Ti\n0.998365 0.493135 0.900566 Ti\n0.915790 0.520724 0.050904 O\n0.916273 0.520837 0.249754 O\n0.908571 0.525488 0.450630 O\n0.908138 0.525535 0.651036 O\n0.910081 0.526233 0.852136 O\n0.781786 0.780869 0.109312 O\n0.777337 0.774636 0.307976 O\n0.778616 0.776270 0.709252 O\n0.778901 0.776112 0.508942 O\n0.786302 0.783638 0.191151 O\n0.782274 0.783969 0.910561 O\n0.784704 0.772450 0.390379 O\n0.785558 0.772319 0.590863 O\n0.785462 0.771855 0.791387 O\n0.780838 0.781999 0.991844 O\n0.719820 0.281841 0.109286 O\n0.720589 0.285991 0.191194 O\n0.723740 0.275841 0.308015 O\n0.725790 0.286706 0.390610 O\n0.727092 0.287370 0.591051 O\n0.726096 0.279530 0.509336 O\n0.721741 0.286014 0.910649 O\n0.714963 0.281575 0.991785 O\n0.725643 0.279306 0.709637 O\n0.727498 0.287234 0.791608 O\n0.583024 0.020512 0.051201 O\n0.584669 0.021473 0.249564 O\n0.591395 0.028246 0.652550 O\n0.591939 0.028671 0.452323 O\n0.591260 0.027691 0.853438 O\n0.424042 0.986539 0.346912 O\n0.417621 0.980109 0.150737 O\n0.422549 0.985705 0.547816 O\n0.422207 0.985587 0.748182 O\n0.414458 0.979698 0.951827 O\n0.278003 0.716791 0.009607 O\n0.283063 0.717665 0.091574 O\n0.279391 0.717457 0.290207 O\n0.284346 0.720963 0.208983 O\n0.273818 0.709354 0.608436 O\n0.279404 0.718260 0.490225 O\n0.273973 0.709047 0.407937 O\n0.278968 0.718089 0.690520 O\n0.273977 0.709438 0.809035 O\n0.284260 0.720273 0.891893 O\n0.215985 0.219293 0.009653 O\n0.221001 0.219855 0.208957 O\n0.217117 0.217876 0.091559 O\n0.204882 0.222095 0.408213 O\n0.205377 0.222861 0.608565 O\n0.217293 0.222112 0.690827 O\n0.219239 0.218265 0.290236 O\n0.217615 0.221941 0.490577 O\n0.205427 0.222898 0.809218 O\n0.215199 0.222765 0.892033 O\n0.085012 0.479314 0.150530 O\n0.076202 0.486514 0.348188 O\n0.077802 0.488957 0.548520 O\n0.077671 0.488923 0.748937 O\n0.084796 0.480509 0.951214 O\n","nsites":100,"nelements":5,"elements":["Ca","La","Mg","Ti","O"],"chemical_system":"Ca-La-Mg-O-Ti","density":4.546527527518751,"density_atomic":0.08447584777950196,"volume":1183.770303921886,"volume_molar":7.128831397725577,"formula_full":"Ca14 La6 Mg3 Ti17 O60","formula_reduced":"Ca14La6Mg3Ti17O60","formula_anonymous":"A3B6C14D17E60","energy":-852.2904910599999,"energy_per_atom":-8.5229049106,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-811.0704910599999,"band_gap":2.1726,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001805,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.310000Z","spacegroup":1},{"id":"mp-978294","created_at":"2022-09-04T14:40:52.227769Z","structure_string":"Mg3 Sn1\n1.0\n4.492035 0.000000 0.000000\n0.000000 4.492035 0.000000\n0.000000 0.000000 4.492035\nMg Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n","nsites":4,"nelements":2,"elements":["Mg","Sn"],"chemical_system":"Mg-Sn","density":3.5105233900424744,"density_atomic":0.04412966158573045,"volume":90.64198220122812,"volume_molar":13.64646938953026,"formula_full":"Mg3 Sn1","formula_reduced":"Mg3Sn","formula_anonymous":"AB3","energy":-9.36553378,"energy_per_atom":-2.341383445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.36553378,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001805,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.128000Z","spacegroup":221}]}