{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=78","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=76","results":[{"id":"mp-1187372","created_at":"2022-09-04T14:46:03.363796Z","structure_string":"Tb1 Sm1\n1.0\n1.820520 -3.153233 0.000000\n1.820520 3.153233 0.000000\n0.000000 0.000000 5.857858\nTb Sm\n1 1\ndirect\n0.666667 0.333333 0.000000 Tb\n0.000000 0.000000 0.500000 Sm\n","nsites":2,"nelements":2,"elements":["Tb","Sm"],"chemical_system":"Sm-Tb","density":7.636389886288531,"density_atomic":0.02973785522616069,"volume":67.25434584268807,"volume_molar":20.25075686931942,"formula_full":"Tb1 Sm1","formula_reduced":"TbSm","formula_anonymous":"AB","energy":-9.3067795,"energy_per_atom":-4.65338975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.3067795,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001554,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.967000Z","spacegroup":187},{"id":"mp-569803","created_at":"2022-09-04T14:46:03.415789Z","structure_string":"B8 W4\n1.0\n1.509380 -2.614322 0.000000\n1.509380 2.614322 0.000000\n0.000000 0.000000 14.089487\nB W\n8 4\ndirect\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.522725 B\n0.666667 0.333333 0.477275 B\n0.666667 0.333333 0.022725 B\n0.333333 0.666667 0.977275 B\n0.333333 0.666667 0.365240 W\n0.666667 0.333333 0.634760 W\n0.666667 0.333333 0.865240 W\n0.333333 0.666667 0.134760 W\n","nsites":12,"nelements":2,"elements":["B","W"],"chemical_system":"B-W","density":12.273198408160388,"density_atomic":0.10791912141645438,"volume":111.19438188986558,"volume_molar":5.580235162183046,"formula_full":"B8 W4","formula_reduced":"B2W","formula_anonymous":"AB2","energy":-109.26297388,"energy_per_atom":-9.105247823333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.26297388,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032519,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.082000Z","spacegroup":194},{"id":"mp-1025656","created_at":"2022-09-04T14:46:03.423038Z","structure_string":"Mo1 W2 Se4 S2\n1.0\n1.637511 -2.836253 0.000000\n1.637511 2.836253 0.000000\n0.000000 0.000000 30.220388\nMo W Se S\n1 2 4 2\ndirect\n0.666667 0.333333 0.346971 Mo\n0.333333 0.666667 0.115637 W\n0.333333 0.666667 0.578331 W\n0.333333 0.666667 0.402879 Se\n0.666667 0.333333 0.522027 Se\n0.666667 0.333333 0.634633 Se\n0.333333 0.666667 0.291077 Se\n0.666667 0.333333 0.064526 S\n0.666667 0.333333 0.166760 S\n","nsites":9,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":4.990238407785777,"density_atomic":0.03206145913918679,"volume":280.71086724184187,"volume_molar":18.783115059911605,"formula_full":"Mo1 W2 Se4 S2","formula_reduced":"MoW2(Se2S)2","formula_anonymous":"AB2C2D4","energy":-67.94154705000001,"energy_per_atom":-7.549060783333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.04754705,"band_gap":0.7267999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002227,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.733000Z","spacegroup":156},{"id":"mp-976010","created_at":"2022-09-04T14:46:03.471739Z","structure_string":"Li3 Cr1\n1.0\n4.177707 0.000000 0.000000\n0.000000 4.177707 0.000000\n0.000000 0.000000 4.177707\nLi Cr\n3 1\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cr\n","nsites":4,"nelements":2,"elements":["Li","Cr"],"chemical_system":"Cr-Li","density":1.658366327486881,"density_atomic":0.0548587689725444,"volume":72.9145052817702,"volume_molar":10.97753535631459,"formula_full":"Li3 Cr1","formula_reduced":"Li3Cr","formula_anonymous":"AB3","energy":-13.82447426,"energy_per_atom":-3.456118565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.82447426,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.8390243,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.517000Z","spacegroup":221},{"id":"mp-1246556","created_at":"2022-09-04T14:46:03.548642Z","structure_string":"Sr4 V4 N8\n1.0\n6.293845 0.000000 0.039685\n0.000000 7.384769 0.000000\n-2.273464 0.000000 5.256976\nSr V N\n4 4 8\ndirect\n0.342796 0.925233 0.684732 Sr\n0.657204 0.425233 0.815268 Sr\n0.657204 0.074767 0.315268 Sr\n0.342796 0.574767 0.184732 Sr\n0.121346 0.356050 0.572920 V\n0.878654 0.856050 0.927080 V\n0.878654 0.643950 0.427080 V\n0.121346 0.143950 0.072920 V\n0.208731 0.902420 0.072027 N\n0.791269 0.402420 0.427973 N\n0.791269 0.097580 0.927973 N\n0.208731 0.597580 0.572027 N\n0.262411 0.273015 0.900402 N\n0.737589 0.773015 0.599598 N\n0.737589 0.726985 0.099598 N\n0.262411 0.226985 0.400402 N\n","nsites":16,"nelements":3,"elements":["Sr","V","N"],"chemical_system":"N-Sr-V","density":4.515928427256101,"density_atomic":0.06530529307937719,"volume":245.00311147141383,"volume_molar":9.221520149492655,"formula_full":"Sr4 V4 N8","formula_reduced":"SrVN2","formula_anonymous":"ABC2","energy":-129.58307091,"energy_per_atom":-8.098941931875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.69507091,"band_gap":0.2572000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006549,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.991000Z","spacegroup":14},{"id":"mp-554736","created_at":"2022-09-04T14:46:03.566449Z","structure_string":"Ca2 B4 H24 O20\n1.0\n6.587907 0.000000 0.000000\n0.000000 8.010537 0.000000\n0.000000 1.982078 7.776968\nCa B H O\n2 4 24 20\ndirect\n0.969911 0.000000 0.250000 Ca\n0.030089 0.000000 0.750000 Ca\n0.274910 0.816234 0.067980 B\n0.725090 0.183766 0.932020 B\n0.274910 0.183766 0.432020 B\n0.725090 0.816234 0.567980 B\n0.666508 0.367198 0.426122 H\n0.904240 0.378111 0.404158 H\n0.904240 0.621889 0.095842 H\n0.095760 0.621889 0.595842 H\n0.333492 0.632802 0.573878 H\n0.232791 0.353441 0.584525 H\n0.165721 0.337767 0.197124 H\n0.666508 0.632802 0.073878 H\n0.095760 0.378111 0.904158 H\n0.476558 0.784247 0.743730 H\n0.232791 0.646559 0.915475 H\n0.834279 0.662233 0.802876 H\n0.834279 0.337767 0.697124 H\n0.340538 0.082509 0.986632 H\n0.767209 0.646559 0.415475 H\n0.476558 0.215753 0.756270 H\n0.165721 0.662233 0.302876 H\n0.523442 0.215753 0.256270 H\n0.659462 0.917491 0.013368 H\n0.767209 0.353441 0.084525 H\n0.659462 0.082509 0.486632 H\n0.523442 0.784247 0.243730 H\n0.333492 0.367198 0.926122 H\n0.340538 0.917491 0.513368 H\n0.746394 0.772714 0.400152 O\n0.774508 0.995452 0.965790 O\n0.210572 0.422577 0.961072 O\n0.253606 0.772714 0.900152 O\n0.774508 0.004548 0.534210 O\n0.746394 0.227286 0.099848 O\n0.484817 0.774190 0.127947 O\n0.225492 0.995452 0.465790 O\n0.115775 0.730404 0.190383 O\n0.515183 0.225810 0.872053 O\n0.210572 0.577423 0.538928 O\n0.789428 0.577423 0.038928 O\n0.115775 0.269596 0.309617 O\n0.884225 0.730404 0.690383 O\n0.484817 0.225810 0.372053 O\n0.515183 0.774190 0.627947 O\n0.789428 0.422577 0.461072 O\n0.253606 0.227286 0.599848 O\n0.884225 0.269596 0.809617 O\n0.225492 0.004548 0.034210 O\n","nsites":50,"nelements":4,"elements":["Ca","B","H","O"],"chemical_system":"B-Ca-H-O","density":1.8918394794097178,"density_atomic":0.12182897826054719,"volume":410.411387453882,"volume_molar":4.9431102895083505,"formula_full":"Ca2 B4 H24 O20","formula_reduced":"CaB2(H6O5)2","formula_anonymous":"AB2C10D12","energy":-300.48935848,"energy_per_atom":-6.0097871696,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.74935848,"band_gap":5.4226,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:15.305000Z","spacegroup":13},{"id":"mp-1175397","created_at":"2022-09-04T14:46:03.576707Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.882095 0.000000 0.000000\n2.656731 5.869358 0.000000\n0.103279 0.133424 8.092107\nLi Mn Co O\n9 2 5 16\ndirect\n0.375033 0.254161 0.755900 Li\n0.748517 0.000672 0.999966 Li\n0.000000 0.500000 0.500000 Li\n0.624967 0.745839 0.244100 Li\n0.251483 0.999328 0.000034 Li\n0.872627 0.253569 0.756843 Li\n0.500000 0.500000 0.500000 Li\n0.127373 0.746431 0.243157 Li\n0.000000 0.500000 0.000000 Li\n0.634721 0.744346 0.753604 Mn\n0.365279 0.255654 0.246396 Mn\n0.748218 0.000780 0.500493 Co\n0.129703 0.745682 0.753305 Co\n0.500000 0.500000 0.000000 Co\n0.870297 0.254318 0.246695 Co\n0.251782 0.999220 0.499507 Co\n0.741165 0.992105 0.740337 O\n0.152848 0.730906 0.983223 O\n0.365818 0.238733 0.490418 O\n0.021711 0.469754 0.251242 O\n0.617971 0.742014 0.987026 O\n0.272479 0.973269 0.739441 O\n0.868407 0.234739 0.486540 O\n0.481986 0.495057 0.240394 O\n0.978289 0.530246 0.748758 O\n0.382029 0.257986 0.012974 O\n0.634182 0.761267 0.509582 O\n0.258835 0.007895 0.259663 O\n0.847152 0.269094 0.016777 O\n0.518014 0.504943 0.759606 O\n0.131593 0.765261 0.513460 O\n0.727521 0.026731 0.260559 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.297382625798732,"density_atomic":0.1145422545713121,"volume":279.3728840048048,"volume_molar":5.257571350012772,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-207.09857432,"energy_per_atom":-6.4718304475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.58057432,"band_gap":1.4606,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9735545,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.202000Z","spacegroup":2},{"id":"mp-1112903","created_at":"2022-09-04T14:46:03.579178Z","structure_string":"Cs2 Ga1 Hg1 I6\n1.0\n0.000000 5.991503 5.991503\n5.991503 0.000000 5.991503\n5.991503 5.991503 0.000000\nCs Ga Hg I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.758349 0.241651 0.241651 I\n0.241651 0.241651 0.758349 I\n0.241651 0.758349 0.758349 I\n0.241651 0.758349 0.241651 I\n0.758349 0.241651 0.758349 I\n0.758349 0.758349 0.241651 I\n","nsites":10,"nelements":4,"elements":["Cs","Ga","Hg","I"],"chemical_system":"Cs-Ga-Hg-I","density":5.008827817817374,"density_atomic":0.023246772259959216,"volume":430.167245937374,"volume_molar":25.905277053764046,"formula_full":"Cs2 Ga1 Hg1 I6","formula_reduced":"Cs2GaHgI6","formula_anonymous":"ABC2D6","energy":-24.80748906,"energy_per_atom":-2.480748906,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.53348906,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010934,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.865000Z","spacegroup":225},{"id":"mp-1175656","created_at":"2022-09-04T14:46:04.108288Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.710721 5.191558 0.000000\n-5.710721 5.191558 0.000000\n0.000000 1.981810 4.807025\nLi Mn Co O\n9 2 5 16\ndirect\n0.384051 0.133782 0.997574 Li\n0.866218 0.615949 0.002426 Li\n0.503781 0.000158 0.499433 Li\n0.999842 0.496219 0.500567 Li\n0.616872 0.866546 0.998498 Li\n0.133454 0.383128 0.001502 Li\n0.734868 0.739800 0.520818 Li\n0.260200 0.265132 0.479182 Li\n0.498133 0.501867 0.000000 Li\n0.997657 0.002343 0.000000 Mn\n0.126164 0.873836 0.500000 Mn\n0.627530 0.372470 0.500000 Co\n0.254664 0.745336 0.000000 Co\n0.747002 0.252998 0.000000 Co\n0.380485 0.619515 0.500000 Co\n0.874041 0.125959 0.500000 Co\n0.226788 0.976456 0.750488 O\n0.733895 0.470207 0.742792 O\n0.363769 0.875958 0.271083 O\n0.863454 0.363373 0.280680 O\n0.477986 0.746116 0.759522 O\n0.983400 0.238469 0.770805 O\n0.625605 0.611082 0.281377 O\n0.118891 0.117087 0.278675 O\n0.529793 0.266105 0.257208 O\n0.023544 0.773212 0.249512 O\n0.636627 0.136546 0.719320 O\n0.124042 0.636231 0.728917 O\n0.761531 0.016600 0.229195 O\n0.253884 0.522014 0.240478 O\n0.882913 0.881109 0.721325 O\n0.388918 0.374395 0.718623 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.2120473529138085,"density_atomic":0.11226773182064582,"volume":285.03292514292394,"volume_molar":5.364088738891348,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.0754639,"energy_per_atom":-6.502358246875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.5574639,"band_gap":0.0649000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.99999,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.355000Z","spacegroup":5},{"id":"mp-554248","created_at":"2022-09-04T14:46:03.365104Z","structure_string":"K2 Na2 Mn2 Si8 O20\n1.0\n7.066901 0.000000 0.000000\n-3.432140 7.578140 0.000000\n-1.687512 -3.777380 9.225894\nK Na Mn Si O\n2 2 2 8 20\ndirect\n0.157679 0.799198 0.989651 K\n0.842321 0.200802 0.010349 K\n0.836087 0.862445 0.589335 Na\n0.163913 0.137555 0.410665 Na\n0.658116 0.106438 0.407107 Mn\n0.341884 0.893562 0.592893 Mn\n0.292855 0.176513 0.868189 Si\n0.463893 0.300137 0.211384 Si\n0.062967 0.363896 0.730373 Si\n0.937033 0.636104 0.269627 Si\n0.536107 0.699863 0.788616 Si\n0.707145 0.823487 0.131811 Si\n0.371105 0.638352 0.268568 Si\n0.628895 0.361648 0.731432 Si\n0.110104 0.576212 0.206906 O\n0.876788 0.738293 0.161876 O\n0.535451 0.324502 0.865889 O\n0.624785 0.552459 0.715767 O\n0.577568 0.856684 0.718607 O\n0.497996 0.175958 0.583407 O\n0.375215 0.447541 0.284233 O\n0.323362 0.187237 0.036164 O\n0.968371 0.225594 0.563555 O\n0.889896 0.423788 0.793094 O\n0.722940 0.426883 0.227557 O\n0.123212 0.261707 0.838124 O\n0.676638 0.812763 0.963836 O\n0.502004 0.824042 0.416593 O\n0.803290 0.038001 0.241690 O\n0.196710 0.961999 0.758310 O\n0.464549 0.675498 0.134111 O\n0.031629 0.774406 0.436445 O\n0.277060 0.573117 0.772443 O\n0.422432 0.143316 0.281393 O\n","nsites":34,"nelements":5,"elements":["K","Na","Mn","Si","O"],"chemical_system":"K-Mn-Na-O-Si","density":2.617174574474828,"density_atomic":0.06881432035695748,"volume":494.08320569953037,"volume_molar":8.751290034925312,"formula_full":"K2 Na2 Mn2 Si8 O20","formula_reduced":"KNaMn(Si2O5)2","formula_anonymous":"ABCD4E10","energy":-266.4717926,"energy_per_atom":-7.837405664705883,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-249.3957926,"band_gap":3.0188000000000006,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":9.9996519,"is_theoretical":false,"updated_at":"2021-11-28T01:37:18.665000Z","spacegroup":2},{"id":"mp-772440","created_at":"2022-09-04T14:46:03.378052Z","structure_string":"Li8 Mn4 B20 O40\n1.0\n15.455504 0.000000 0.000000\n0.000000 7.130670 0.000000\n0.000000 0.504546 7.233145\nLi Mn B O\n8 4 20 40\ndirect\n0.831300 0.007396 0.097332 Li\n0.668700 0.507396 0.097332 Li\n0.075258 0.410272 0.312680 Li\n0.424742 0.910272 0.312680 Li\n0.575258 0.089728 0.687320 Li\n0.924742 0.589728 0.687320 Li\n0.331300 0.492604 0.902668 Li\n0.168700 0.992604 0.902668 Li\n0.876194 0.472197 0.158566 Mn\n0.623806 0.972197 0.158566 Mn\n0.376194 0.027803 0.841434 Mn\n0.123806 0.527803 0.841434 Mn\n0.976152 0.095389 0.197909 B\n0.523848 0.595389 0.197909 B\n0.225434 0.484784 0.216005 B\n0.274566 0.984784 0.216005 B\n0.497960 0.261769 0.260880 B\n0.002040 0.761769 0.260880 B\n0.379888 0.490742 0.321825 B\n0.120112 0.990742 0.321825 B\n0.742948 0.515357 0.455973 B\n0.757052 0.015357 0.455973 B\n0.242948 0.984643 0.544027 B\n0.257052 0.484643 0.544027 B\n0.879888 0.009258 0.678175 B\n0.620112 0.509258 0.678175 B\n0.997960 0.238231 0.739120 B\n0.502040 0.738231 0.739120 B\n0.725434 0.015216 0.783995 B\n0.774566 0.515216 0.783995 B\n0.476152 0.404611 0.802091 B\n0.023848 0.904611 0.802091 B\n0.160909 0.480296 0.090435 O\n0.339091 0.980296 0.090435 O\n0.917041 0.223258 0.131487 O\n0.582959 0.723258 0.131487 O\n0.188804 0.008236 0.172045 O\n0.549109 0.406838 0.176642 O\n0.311196 0.508236 0.172045 O\n0.950891 0.906838 0.176642 O\n0.527060 0.078562 0.278043 O\n0.972940 0.578562 0.278043 O\n0.768504 0.523771 0.274077 O\n0.053349 0.138631 0.277486 O\n0.731496 0.023771 0.274077 O\n0.446651 0.638631 0.277486 O\n0.418627 0.302618 0.327082 O\n0.081373 0.802618 0.327082 O\n0.197771 0.457689 0.401742 O\n0.302229 0.957689 0.401742 O\n0.658619 0.479381 0.498557 O\n0.158619 0.020619 0.501443 O\n0.841381 0.979381 0.498557 O\n0.341381 0.520619 0.501443 O\n0.697771 0.042311 0.598258 O\n0.802229 0.542311 0.598258 O\n0.918627 0.197382 0.672918 O\n0.581373 0.697382 0.672918 O\n0.553349 0.361369 0.722514 O\n0.268504 0.976229 0.725923 O\n0.946651 0.861369 0.722514 O\n0.231496 0.476229 0.725923 O\n0.027060 0.421438 0.721957 O\n0.472940 0.921438 0.721957 O\n0.049109 0.093162 0.823358 O\n0.688804 0.491764 0.827955 O\n0.450891 0.593162 0.823358 O\n0.811196 0.991764 0.827955 O\n0.417041 0.276742 0.868513 O\n0.082959 0.776742 0.868513 O\n0.660909 0.019704 0.909565 O\n0.839091 0.519704 0.909565 O\n","nsites":72,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":2.3569687889960864,"density_atomic":0.09032164008790486,"volume":797.1511581269621,"volume_molar":6.667439557274421,"formula_full":"Li8 Mn4 B20 O40","formula_reduced":"Li2Mn(BO2)5","formula_anonymous":"AB2C5D10","energy":-574.5661735,"energy_per_atom":-7.980085743055556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-540.4141735,"band_gap":0.9682,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0021889,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.468000Z","spacegroup":14},{"id":"mp-21618","created_at":"2022-09-04T14:45:59.949666Z","structure_string":"Nd4 Al12 Pb8 O32\n1.0\n9.632693 0.000000 0.000000\n0.000000 9.632693 0.000000\n0.000000 0.000000 9.632693\nNd Al Pb O\n4 12 8 32\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.750000 Nd\n0.750000 0.250000 0.250000 Nd\n0.250000 0.750000 0.250000 Nd\n0.500000 0.000000 0.250000 Al\n0.500000 0.250000 0.000000 Al\n0.500000 0.750000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.250000 0.500000 0.000000 Al\n0.250000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.750000 0.000000 0.500000 Al\n0.000000 0.750000 0.500000 Al\n0.750000 0.500000 0.000000 Al\n0.000000 0.250000 0.500000 Al\n0.867231 0.132769 0.867231 Pb\n0.867231 0.867231 0.132769 Pb\n0.132769 0.132769 0.132769 Pb\n0.367231 0.632769 0.632769 Pb\n0.132769 0.867231 0.867231 Pb\n0.632769 0.367231 0.632769 Pb\n0.367231 0.367231 0.367231 Pb\n0.632769 0.632769 0.367231 Pb\n0.843563 0.513659 0.843563 O\n0.986341 0.343563 0.343563 O\n0.156437 0.486341 0.843563 O\n0.843563 0.156437 0.486341 O\n0.343563 0.343563 0.986341 O\n0.343563 0.656437 0.013659 O\n0.609235 0.390765 0.390765 O\n0.390765 0.609235 0.390765 O\n0.109235 0.890765 0.109235 O\n0.890765 0.890765 0.890765 O\n0.843563 0.486341 0.156437 O\n0.656437 0.013659 0.343563 O\n0.109235 0.109235 0.890765 O\n0.890765 0.109235 0.109235 O\n0.609235 0.609235 0.609235 O\n0.156437 0.156437 0.513659 O\n0.656437 0.343563 0.013659 O\n0.986341 0.656437 0.656437 O\n0.656437 0.986341 0.656437 O\n0.486341 0.843563 0.156437 O\n0.513659 0.843563 0.843563 O\n0.156437 0.513659 0.156437 O\n0.343563 0.013659 0.656437 O\n0.843563 0.843563 0.513659 O\n0.343563 0.986341 0.343563 O\n0.156437 0.843563 0.486341 O\n0.656437 0.656437 0.986341 O\n0.390765 0.390765 0.609235 O\n0.513659 0.156437 0.156437 O\n0.013659 0.656437 0.343563 O\n0.013659 0.343563 0.656437 O\n0.486341 0.156437 0.843563 O\n","nsites":56,"nelements":4,"elements":["Nd","Al","Pb","O"],"chemical_system":"Al-Nd-O-Pb","density":5.704145680812399,"density_atomic":0.06265343252569672,"volume":893.8057779521039,"volume_molar":9.611828940944418,"formula_full":"Nd4 Al12 Pb8 O32","formula_reduced":"NdAl3(PbO4)2","formula_anonymous":"AB2C3D8","energy":-418.74973882,"energy_per_atom":-7.4776739075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-396.76573882,"band_gap":2.9857,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001885,"is_theoretical":false,"updated_at":"2021-11-28T01:37:17.654000Z","spacegroup":224}]}