{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=12124","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=12122","results":[{"id":"mp-1080303","created_at":"2022-09-04T14:46:55.164487Z","structure_string":"Ce4 Se8\n1.0\n7.092327 0.000000 0.000000\n0.000000 6.964640 0.000000\n0.000000 1.542301 6.936206\nCe Se\n4 8\ndirect\n0.552079 0.711990 0.696755 Ce\n0.052079 0.288010 0.803245 Ce\n0.447921 0.288010 0.303245 Ce\n0.947921 0.711990 0.196755 Ce\n0.833668 0.941075 0.831292 Se\n0.333668 0.058925 0.668708 Se\n0.166332 0.058925 0.168708 Se\n0.666332 0.941075 0.331292 Se\n0.256605 0.564494 0.985534 Se\n0.756605 0.435506 0.514466 Se\n0.743395 0.435506 0.014466 Se\n0.243395 0.564494 0.485534 Se\n","nsites":12,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":5.777878540435035,"density_atomic":0.03502449154804212,"volume":342.6173934185435,"volume_molar":17.194084749923054,"formula_full":"Ce4 Se8","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-74.42476775,"energy_per_atom":-6.202063979166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.64876775,"band_gap":0.5051999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.426000Z","spacegroup":14},{"id":"mp-558160","created_at":"2022-09-04T14:46:55.185255Z","structure_string":"Na4 Y4 C4 O12 F8\n1.0\n6.371914 0.000000 0.000000\n0.000000 7.083443 0.000000\n0.000000 0.000000 9.301301\nNa Y C O F\n4 4 4 12 8\ndirect\n0.171294 0.250000 0.217804 Na\n0.671294 0.250000 0.282196 Na\n0.828706 0.750000 0.782196 Na\n0.328706 0.750000 0.717804 Na\n0.512535 0.250000 0.922227 Y\n0.987465 0.750000 0.422227 Y\n0.487465 0.750000 0.077773 Y\n0.012535 0.250000 0.577773 Y\n0.540078 0.750000 0.440269 C\n0.459922 0.250000 0.559731 C\n0.959922 0.250000 0.940269 C\n0.040078 0.750000 0.059731 C\n0.841109 0.750000 0.043872 O\n0.835792 0.250000 0.050758 O\n0.130608 0.750000 0.186401 O\n0.869392 0.250000 0.813599 O\n0.335792 0.250000 0.449242 O\n0.158891 0.250000 0.956128 O\n0.664208 0.750000 0.550758 O\n0.658891 0.250000 0.543872 O\n0.369392 0.250000 0.686401 O\n0.341109 0.750000 0.456128 O\n0.630608 0.750000 0.313599 O\n0.164208 0.750000 0.949242 O\n0.042053 0.940369 0.630046 F\n0.542053 0.940369 0.869954 F\n0.457947 0.059631 0.130046 F\n0.957947 0.059631 0.369954 F\n0.042053 0.559631 0.630046 F\n0.957947 0.440369 0.369954 F\n0.457947 0.440369 0.130046 F\n0.542053 0.559631 0.869954 F\n","nsites":32,"nelements":5,"elements":["Na","Y","C","O","F"],"chemical_system":"C-F-Na-O-Y","density":3.320980016527648,"density_atomic":0.07622404122621924,"volume":419.81505421668413,"volume_molar":7.900579217687198,"formula_full":"Na4 Y4 C4 O12 F8","formula_reduced":"NaYCO3F2","formula_anonymous":"ABCD2E3","energy":-241.86489099,"energy_per_atom":-7.5582778434375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.92489099,"band_gap":5.2481,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003016,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.977000Z","spacegroup":62},{"id":"mp-1233876","created_at":"2022-09-04T14:46:55.251207Z","structure_string":"Mg1 Zn4 Sn4 O8\n1.0\n3.224194 -0.040261 0.640609\n1.550718 8.878895 -0.037950\n-0.391149 -0.468834 9.508906\nMg Zn Sn O\n1 4 4 8\ndirect\n0.980433 0.845897 0.837096 Mg\n0.639642 0.005926 0.287565 Zn\n0.467856 0.995761 0.646222 Zn\n0.388180 0.782264 0.071639 Zn\n0.633708 0.155485 0.933133 Zn\n0.865086 0.278781 0.552697 Sn\n0.989462 0.341043 0.194577 Sn\n0.097114 0.485044 0.826923 Sn\n0.225619 0.692133 0.433747 Sn\n0.078073 0.838971 0.624740 O\n0.089234 0.313260 0.969188 O\n0.969866 0.684570 0.980501 O\n0.470780 0.125223 0.476249 O\n0.845617 0.135978 0.723330 O\n0.580914 0.176817 0.160301 O\n0.205323 0.872154 0.271962 O\n0.405654 0.945969 0.914315 O\n","nsites":17,"nelements":4,"elements":["Mg","Zn","Sn","O"],"chemical_system":"Mg-O-Sn-Zn","density":5.376319682938174,"density_atomic":0.06192877537834808,"volume":274.5088998795808,"volume_molar":9.724301382044604,"formula_full":"Mg1 Zn4 Sn4 O8","formula_reduced":"MgZn4(SnO2)4","formula_anonymous":"AB4C4D8","energy":-89.70169474,"energy_per_atom":-5.276570278823529,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.20569474,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.525000Z","spacegroup":1},{"id":"mp-1247553","created_at":"2022-09-04T14:46:55.086511Z","structure_string":"Sr2 Fe10 N8\n1.0\n8.881777 0.000000 0.000000\n0.000000 5.774657 0.000000\n0.000000 0.000000 4.404751\nSr Fe N\n2 10 8\ndirect\n0.750000 0.250000 0.688460 Sr\n0.250000 0.750000 0.311540 Sr\n0.555821 0.504883 0.254282 Fe\n0.944179 0.504883 0.254282 Fe\n0.555821 0.995117 0.254282 Fe\n0.944179 0.995117 0.254282 Fe\n0.444179 0.495117 0.745718 Fe\n0.055821 0.495117 0.745718 Fe\n0.444179 0.004883 0.745718 Fe\n0.055821 0.004883 0.745718 Fe\n0.750000 0.750000 0.888447 Fe\n0.250000 0.250000 0.111553 Fe\n0.750000 0.987885 0.156980 N\n0.750000 0.512115 0.156980 N\n0.250000 0.012115 0.843020 N\n0.250000 0.487885 0.843020 N\n0.545565 0.750000 0.552586 N\n0.954435 0.750000 0.552586 N\n0.454435 0.250000 0.447414 N\n0.045565 0.250000 0.447414 N\n","nsites":20,"nelements":3,"elements":["Sr","Fe","N"],"chemical_system":"Fe-N-Sr","density":6.216420678734103,"density_atomic":0.08852839173396913,"volume":225.9162242560634,"volume_molar":6.8024965121887,"formula_full":"Sr2 Fe10 N8","formula_reduced":"SrFe5N4","formula_anonymous":"AB4C5","energy":-156.76807946,"energy_per_atom":-7.838403973,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.88007946,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.7605147,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.043000Z","spacegroup":59},{"id":"mp-765698","created_at":"2022-09-04T14:46:55.172107Z","structure_string":"Mn6 O11 F1\n1.0\n3.210878 -9.467743 0.000000\n3.210878 9.467743 0.000000\n0.000000 0.000000 2.969354\nMn O F\n6 11 1\ndirect\n0.001548 0.667889 0.000000 Mn\n0.165992 0.499828 0.500000 Mn\n0.499828 0.165992 0.500000 Mn\n0.321266 0.321266 0.000000 Mn\n0.667889 0.001548 0.000000 Mn\n0.849173 0.849173 0.500000 Mn\n0.064472 0.601823 0.500000 O\n0.693864 0.361286 0.000000 O\n0.972454 0.304769 0.000000 O\n0.304769 0.972454 0.000000 O\n0.271380 0.400521 0.500000 O\n0.601823 0.064472 0.500000 O\n0.728452 0.930519 0.500000 O\n0.400521 0.271380 0.500000 O\n0.031669 0.031669 0.000000 O\n0.361286 0.693864 0.000000 O\n0.930519 0.728452 0.500000 O\n0.633295 0.633295 0.000000 F\n","nsites":18,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.82538271385745,"density_atomic":0.09970346876306418,"volume":180.5353436877436,"volume_molar":6.040051399125386,"formula_full":"Mn6 O11 F1","formula_reduced":"Mn6O11F","formula_anonymous":"AB6C11","energy":-144.63998651,"energy_per_atom":-8.035554806111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.61298651,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.9995165,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.222000Z","spacegroup":38},{"id":"mp-1207415","created_at":"2022-09-04T14:46:55.177201Z","structure_string":"Zr6 Be15 Co8\n1.0\n0.000000 5.501994 5.501994\n5.501994 0.000000 5.501994\n5.501994 5.501994 0.000000\nZr Be Co\n6 15 8\ndirect\n0.711999 0.288001 0.288001 Zr\n0.288001 0.711999 0.711999 Zr\n0.288001 0.711999 0.288001 Zr\n0.711999 0.288001 0.711999 Zr\n0.288001 0.288001 0.711999 Zr\n0.711999 0.711999 0.288001 Zr\n0.321254 0.321254 0.321254 Be\n0.678746 0.678746 0.678746 Be\n0.321254 0.321254 0.036239 Be\n0.321254 0.036239 0.321254 Be\n0.678746 0.678746 0.963761 Be\n0.678746 0.963761 0.678746 Be\n0.036239 0.321254 0.321254 Be\n0.963761 0.678746 0.678746 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.500000 Be\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Be\n0.124897 0.124897 0.124896 Co\n0.875104 0.875104 0.875103 Co\n0.124897 0.124897 0.625310 Co\n0.124897 0.625311 0.124896 Co\n0.875104 0.875104 0.374689 Co\n0.875104 0.374689 0.875104 Co\n0.625311 0.124897 0.124896 Co\n0.374689 0.875104 0.875103 Co\n","nsites":29,"nelements":3,"elements":["Zr","Be","Co"],"chemical_system":"Be-Co-Zr","density":5.752566815959218,"density_atomic":0.08705779534805327,"volume":333.11204222504443,"volume_molar":6.917405541828557,"formula_full":"Zr6 Be15 Co8","formula_reduced":"Zr6Be15Co8","formula_anonymous":"A6B8C15","energy":-173.27316168,"energy_per_atom":-5.974936609655172,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.27316168,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009558,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.676000Z","spacegroup":225},{"id":"mp-1217150","created_at":"2022-09-04T14:46:55.178029Z","structure_string":"Ti4 Ga1 Co2 Si1\n1.0\n-3.040751 -3.040751 0.000000\n0.000000 3.040752 -3.040751\n3.037310 -3.037310 -6.078062\nTi Ga Co Si\n4 1 2 1\ndirect\n0.000708 0.001415 0.997877 Ti\n0.499239 0.998478 0.502283 Ti\n0.874557 0.749114 0.376329 Ti\n0.375339 0.750678 0.873983 Ti\n0.624676 0.249353 0.125971 Ga\n0.246680 0.493361 0.259959 Co\n0.753114 0.506228 0.740657 Co\n0.125686 0.251372 0.622942 Si\n","nsites":8,"nelements":4,"elements":["Ti","Ga","Co","Si"],"chemical_system":"Co-Ga-Si-Ti","density":6.016750888277889,"density_atomic":0.0711960771896787,"volume":112.36574142542449,"volume_molar":8.458528893320867,"formula_full":"Ti4 Ga1 Co2 Si1","formula_reduced":"Ti4GaCo2Si","formula_anonymous":"ABC2D4","energy":-56.72039916,"energy_per_atom":-7.090049895,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.79139916,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0004562,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.646000Z","spacegroup":160},{"id":"mp-936","created_at":"2022-09-04T14:46:55.186812Z","structure_string":"Hg4 Pt1\n1.0\n-3.193207 3.193207 3.193207\n3.193207 -3.193207 3.193207\n3.193207 3.193207 -3.193207\nHg Pt\n4 1\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.500000 Hg\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Pt\n","nsites":5,"nelements":2,"elements":["Hg","Pt"],"chemical_system":"Hg-Pt","density":12.717343750372809,"density_atomic":0.038390944346007254,"volume":130.23904686835377,"volume_molar":15.686357453789272,"formula_full":"Hg4 Pt1","formula_reduced":"Hg4Pt","formula_anonymous":"AB4","energy":-7.7566809,"energy_per_atom":-1.55133618,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.7566809,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002601,"is_theoretical":false,"updated_at":"2021-11-28T01:37:51.858000Z","spacegroup":229},{"id":"mp-866020","created_at":"2022-09-04T14:46:55.188389Z","structure_string":"Yb1 Sm1 Hg2\n1.0\n0.000000 3.766563 3.766563\n3.766563 0.000000 3.766563\n3.766563 3.766563 0.000000\nYb Sm Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n","nsites":4,"nelements":3,"elements":["Yb","Sm","Hg"],"chemical_system":"Hg-Sm-Yb","density":11.258220140726168,"density_atomic":0.03742779895550511,"volume":106.87243470435644,"volume_molar":16.090021128838586,"formula_full":"Yb1 Sm1 Hg2","formula_reduced":"YbSmHg2","formula_anonymous":"ABC2","energy":-9.16485994,"energy_per_atom":-2.291214985,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.16485994,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0114675,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.462000Z","spacegroup":225},{"id":"mp-23066","created_at":"2022-09-04T14:46:55.195154Z","structure_string":"Pb5 S2 I6\n1.0\n2.258554 7.533325 0.000000\n-2.258554 7.533325 0.000000\n0.000000 2.213529 14.846183\nPb S I\n5 2 6\ndirect\n0.223914 0.223914 0.242342 Pb\n0.131462 0.131462 0.528436 Pb\n0.868538 0.868538 0.471564 Pb\n0.776086 0.776086 0.757658 Pb\n0.000000 0.000000 0.000000 Pb\n0.284748 0.284748 0.405793 S\n0.715252 0.715252 0.594207 S\n0.629937 0.629937 0.066049 I\n0.418191 0.418191 0.642924 I\n0.878468 0.878468 0.202379 I\n0.370063 0.370063 0.933951 I\n0.581809 0.581809 0.357076 I\n0.121532 0.121532 0.797621 I\n","nsites":13,"nelements":3,"elements":["Pb","S","I"],"chemical_system":"I-Pb-S","density":6.118759822077646,"density_atomic":0.025732463443846654,"volume":505.19842487558884,"volume_molar":23.40289251023909,"formula_full":"Pb5 S2 I6","formula_reduced":"Pb5(SI3)2","formula_anonymous":"A2B5C6","energy":-47.08120103,"energy_per_atom":-3.6216308484615385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.80120103,"band_gap":1.8469,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0035018,"is_theoretical":false,"updated_at":"2021-11-28T01:37:52.013000Z","spacegroup":12},{"id":"mp-1196367","created_at":"2022-09-04T14:46:55.210064Z","structure_string":"U4 As8 H48 C48 O32\n1.0\n18.800825 0.000000 0.000000\n0.000000 7.121797 0.000000\n-3.367992 0.000000 12.735412\nU As H C O\n4 8 48 48 32\ndirect\n0.743663 0.277445 0.823515 U\n0.256337 0.777445 0.676485 U\n0.256337 0.722555 0.176485 U\n0.743663 0.222555 0.323515 U\n0.717107 0.974985 0.053904 As\n0.282893 0.474985 0.446096 As\n0.282893 0.025015 0.946096 As\n0.717107 0.525015 0.553904 As\n0.785182 0.718352 0.255249 As\n0.214818 0.218352 0.244751 As\n0.214818 0.281648 0.744751 As\n0.785182 0.781648 0.755249 As\n0.763937 0.551575 0.020745 H\n0.236063 0.051575 0.479255 H\n0.236063 0.448425 0.979255 H\n0.763937 0.948425 0.520745 H\n0.750527 0.347126 0.060832 H\n0.249473 0.847126 0.439168 H\n0.249473 0.652874 0.939168 H\n0.750527 0.152874 0.560832 H\n0.630884 0.843518 0.844479 H\n0.369116 0.343518 0.655521 H\n0.369116 0.156482 0.155521 H\n0.630884 0.656482 0.344479 H\n0.503425 0.709369 0.779292 H\n0.496575 0.209369 0.720708 H\n0.496575 0.290631 0.220708 H\n0.503425 0.790631 0.279292 H\n0.426012 0.657371 0.902446 H\n0.573988 0.157371 0.597554 H\n0.573988 0.342629 0.097554 H\n0.426012 0.842629 0.402446 H\n0.473209 0.733635 0.091734 H\n0.526791 0.233635 0.408266 H\n0.526791 0.266365 0.908266 H\n0.473209 0.766365 0.591734 H\n0.599429 0.871577 0.157768 H\n0.400571 0.371577 0.342232 H\n0.400571 0.128423 0.842232 H\n0.599429 0.628423 0.657768 H\n0.907659 0.534446 0.183519 H\n0.092341 0.034446 0.316481 H\n0.092341 0.465554 0.816481 H\n0.907659 0.965554 0.683519 H\n0.042676 0.511228 0.261638 H\n0.957324 0.011228 0.238362 H\n0.957324 0.488772 0.738362 H\n0.042676 0.988772 0.761638 H\n0.098447 0.648165 0.437922 H\n0.901553 0.148165 0.062078 H\n0.901553 0.351835 0.562078 H\n0.098447 0.851835 0.937922 H\n0.020103 0.805575 0.536872 H\n0.979897 0.305575 0.963128 H\n0.979897 0.194425 0.463128 H\n0.020103 0.694425 0.036872 H\n0.884308 0.838345 0.457143 H\n0.115692 0.338345 0.042857 H\n0.115692 0.161655 0.542857 H\n0.884308 0.661655 0.957143 H\n0.620952 0.862924 0.004078 C\n0.379048 0.362924 0.495922 C\n0.379048 0.137076 0.995922 C\n0.620952 0.637076 0.504078 C\n0.889712 0.692192 0.315499 C\n0.110288 0.192192 0.184501 C\n0.110288 0.307808 0.684501 C\n0.889712 0.807808 0.815499 C\n0.595878 0.818863 0.897557 C\n0.404122 0.318863 0.602443 C\n0.404122 0.181137 0.102443 C\n0.595878 0.681137 0.397557 C\n0.525134 0.743597 0.862001 C\n0.474866 0.243597 0.637999 C\n0.474866 0.256403 0.137999 C\n0.525134 0.756403 0.362001 C\n0.481508 0.713762 0.931730 C\n0.518492 0.213762 0.568270 C\n0.518492 0.286238 0.068270 C\n0.481508 0.786238 0.431730 C\n0.507965 0.757147 0.038205 C\n0.492035 0.257147 0.461795 C\n0.492035 0.242853 0.961795 C\n0.507965 0.742853 0.538205 C\n0.578304 0.833176 0.075427 C\n0.421696 0.333176 0.424573 C\n0.421696 0.166824 0.924573 C\n0.578304 0.666824 0.575427 C\n0.932592 0.596989 0.259850 C\n0.067408 0.096989 0.240150 C\n0.067408 0.403011 0.740150 C\n0.932592 0.903011 0.759850 C\n0.008223 0.582752 0.304323 C\n0.991777 0.082752 0.195677 C\n0.991777 0.417248 0.695677 C\n0.008223 0.917248 0.804323 C\n0.039370 0.659975 0.403251 C\n0.960630 0.159975 0.096749 C\n0.960630 0.340025 0.596749 C\n0.039370 0.840025 0.903251 C\n0.995303 0.750072 0.458854 C\n0.004697 0.250072 0.041146 C\n0.004697 0.249928 0.541146 C\n0.995303 0.749928 0.958854 C\n0.919614 0.767958 0.415154 C\n0.080386 0.267958 0.084846 C\n0.080386 0.232042 0.584846 C\n0.919614 0.732042 0.915154 C\n0.645882 0.279422 0.813032 O\n0.354118 0.779422 0.686968 O\n0.354118 0.720578 0.186968 O\n0.645882 0.220578 0.313032 O\n0.841863 0.284343 0.835818 O\n0.158137 0.784343 0.664182 O\n0.158137 0.715657 0.164182 O\n0.841863 0.215657 0.335818 O\n0.767516 0.417778 0.006652 O\n0.232484 0.917778 0.493348 O\n0.232484 0.582222 0.993348 O\n0.767516 0.082222 0.506652 O\n0.756001 0.042711 0.957436 O\n0.243999 0.542711 0.542564 O\n0.243999 0.957289 0.042564 O\n0.756001 0.457289 0.457436 O\n0.718589 0.153642 0.140412 O\n0.281411 0.653642 0.359588 O\n0.281411 0.846358 0.859588 O\n0.718589 0.346358 0.640412 O\n0.778028 0.789891 0.119983 O\n0.221972 0.289891 0.380017 O\n0.221972 0.210109 0.880017 O\n0.778028 0.710109 0.619983 O\n0.738274 0.512374 0.237575 O\n0.261726 0.012374 0.262425 O\n0.261726 0.487626 0.762425 O\n0.738274 0.987626 0.737575 O\n0.744513 0.884415 0.313683 O\n0.255487 0.384415 0.186317 O\n0.255487 0.115585 0.686317 O\n0.744513 0.615585 0.813683 O\n","nsites":140,"nelements":5,"elements":["U","As","H","C","O"],"chemical_system":"As-C-H-O-U","density":2.6179278033011495,"density_atomic":0.08210101741961859,"volume":1705.2163834274977,"volume_molar":7.3350379194703725,"formula_full":"U4 As8 H48 C48 O32","formula_reduced":"UAs2H12(C3O2)4","formula_anonymous":"AB2C8D12E12","energy":-953.7973309,"energy_per_atom":-6.812838077857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-931.8133309,"band_gap":2.2142,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1417519,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.876000Z","spacegroup":14},{"id":"mp-27258","created_at":"2022-09-04T14:46:55.227219Z","structure_string":"P6 Au4\n1.0\n7.295305 2.969458 0.000000\n-7.295305 2.969458 0.000000\n0.000000 1.466664 4.532272\nP Au\n6 4\ndirect\n0.682850 0.682850 0.529272 P\n0.317150 0.317150 0.470728 P\n0.207636 0.450168 0.179696 P\n0.549832 0.792364 0.820304 P\n0.450168 0.207636 0.179696 P\n0.792364 0.549832 0.820304 P\n0.108312 0.891688 0.000000 Au\n0.891688 0.108312 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n","nsites":10,"nelements":2,"elements":["P","Au"],"chemical_system":"Au-P","density":8.234014207257003,"density_atomic":0.05092527678569218,"volume":196.36613939444646,"volume_molar":11.825445319311378,"formula_full":"P6 Au4","formula_reduced":"P3Au2","formula_anonymous":"A2B3","energy":-46.67896882,"energy_per_atom":-4.667896882,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.67896882,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001886,"is_theoretical":false,"updated_at":"2021-11-28T01:37:44.243000Z","spacegroup":12}]}