{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=10162","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=10160","results":[{"id":"mp-1195438","created_at":"2022-09-04T14:39:16.608061Z","structure_string":"Al8 B56 Pd120\n1.0\n-8.316060 -8.316060 8.316060\n-8.316060 8.316060 -8.316060\n8.316060 -8.316060 -8.316060\nAl B Pd\n8 56 120\ndirect\n0.000000 0.500000 -0.000000 Al\n0.500000 0.000000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.750000 B\n0.500000 0.750000 0.000000 B\n0.750000 0.000000 0.500000 B\n0.750000 0.750000 0.750000 B\n0.000000 0.500000 0.250000 B\n0.500000 0.250000 -0.000000 B\n0.250000 0.000000 0.500000 B\n0.250000 0.250000 0.250000 B\n0.250000 0.487018 0.737018 B\n0.750000 0.012982 0.762982 B\n0.737018 0.250000 0.487018 B\n0.762982 0.750000 0.012982 B\n0.487018 0.737018 0.250000 B\n0.012982 0.762982 0.750000 B\n0.750000 0.512982 0.262982 B\n0.250000 0.987018 0.237018 B\n0.262982 0.750000 0.512982 B\n0.237018 0.250000 0.987018 B\n0.512982 0.262982 0.750000 B\n0.987018 0.237018 0.250000 B\n0.987018 0.750000 0.237018 B\n0.512982 0.250000 0.262982 B\n0.750000 0.237018 0.987018 B\n0.250000 0.262982 0.512982 B\n0.237018 0.987018 0.750000 B\n0.262982 0.512982 0.250000 B\n0.012982 0.250000 0.762982 B\n0.487018 0.750000 0.737018 B\n0.250000 0.762982 0.012982 B\n0.750000 0.737018 0.487018 B\n0.762982 0.012982 0.250000 B\n0.737018 0.487018 0.750000 B\n0.012022 0.006011 0.256011 B\n0.487978 0.243989 0.493989 B\n0.750000 0.493989 0.006011 B\n0.750000 0.256011 0.243989 B\n0.256011 0.012022 0.006011 B\n0.493989 0.487978 0.243989 B\n0.006011 0.750000 0.493989 B\n0.243989 0.750000 0.256011 B\n0.006011 0.256011 0.012022 B\n0.243989 0.493989 0.487978 B\n0.493989 0.006011 0.750000 B\n0.256011 0.243989 0.750000 B\n0.987978 0.993989 0.743989 B\n0.512022 0.756011 0.506011 B\n0.250000 0.506011 0.993989 B\n0.250000 0.743989 0.756011 B\n0.743989 0.987978 0.993989 B\n0.506011 0.512022 0.756011 B\n0.993989 0.250000 0.506011 B\n0.756011 0.250000 0.743989 B\n0.993989 0.743989 0.987978 B\n0.756011 0.506011 0.512022 B\n0.506011 0.993989 0.250000 B\n0.743989 0.756011 0.250000 B\n0.761201 0.380601 0.630601 Pd\n0.738799 0.869399 0.119399 Pd\n0.750000 0.119399 0.380601 Pd\n0.750000 0.630601 0.869399 Pd\n0.630601 0.761201 0.380601 Pd\n0.119399 0.738799 0.869399 Pd\n0.380601 0.750000 0.119399 Pd\n0.869399 0.750000 0.630601 Pd\n0.380601 0.630601 0.761201 Pd\n0.869399 0.119399 0.738799 Pd\n0.119399 0.380601 0.750000 Pd\n0.630601 0.869399 0.750000 Pd\n0.238799 0.619399 0.369399 Pd\n0.261201 0.130601 0.880601 Pd\n0.250000 0.880601 0.619399 Pd\n0.250000 0.369399 0.130601 Pd\n0.369399 0.238799 0.619399 Pd\n0.880601 0.261201 0.130601 Pd\n0.619399 0.250000 0.880601 Pd\n0.130601 0.250000 0.369399 Pd\n0.619399 0.369399 0.238799 Pd\n0.130601 0.880601 0.261201 Pd\n0.880601 0.619399 0.250000 Pd\n0.369399 0.130601 0.250000 Pd\n0.930221 0.576505 0.852173 Pd\n0.569779 0.921951 0.146283 Pd\n0.775668 0.923495 0.353717 Pd\n0.724332 0.578049 0.647827 Pd\n0.852173 0.930221 0.576505 Pd\n0.146283 0.569779 0.921951 Pd\n0.353717 0.775668 0.923495 Pd\n0.647827 0.724332 0.578049 Pd\n0.576505 0.852173 0.930221 Pd\n0.921951 0.146283 0.569779 Pd\n0.923495 0.353717 0.775668 Pd\n0.578049 0.647827 0.724332 Pd\n0.069779 0.423495 0.147827 Pd\n0.430221 0.078049 0.853717 Pd\n0.224332 0.076505 0.646283 Pd\n0.275668 0.421951 0.352173 Pd\n0.147827 0.069779 0.423495 Pd\n0.853717 0.430221 0.078049 Pd\n0.646283 0.224332 0.076505 Pd\n0.352173 0.275668 0.421951 Pd\n0.423495 0.147827 0.069779 Pd\n0.078049 0.853717 0.430221 Pd\n0.076505 0.646283 0.224332 Pd\n0.421951 0.352173 0.275668 Pd\n0.076505 0.430221 0.352173 Pd\n0.421951 0.069779 0.646283 Pd\n0.423495 0.275668 0.853717 Pd\n0.078049 0.224332 0.147827 Pd\n0.430221 0.352173 0.076505 Pd\n0.069779 0.646283 0.421951 Pd\n0.275668 0.853717 0.423495 Pd\n0.224332 0.147827 0.078049 Pd\n0.352173 0.076505 0.430221 Pd\n0.646283 0.421951 0.069779 Pd\n0.853717 0.423495 0.275668 Pd\n0.147827 0.078049 0.224332 Pd\n0.923495 0.569779 0.647827 Pd\n0.578049 0.930221 0.353717 Pd\n0.576505 0.724332 0.146283 Pd\n0.921951 0.775668 0.852173 Pd\n0.569779 0.647827 0.923495 Pd\n0.930221 0.353717 0.578049 Pd\n0.724332 0.146283 0.576505 Pd\n0.775668 0.852173 0.921951 Pd\n0.647827 0.923495 0.569779 Pd\n0.353717 0.578049 0.930221 Pd\n0.146283 0.576505 0.724332 Pd\n0.852173 0.921951 0.775668 Pd\n0.092845 0.730612 0.647424 Pd\n0.407155 0.554579 0.137767 Pd\n0.416812 0.769388 0.362233 Pd\n0.083188 0.945421 0.852576 Pd\n0.647424 0.092845 0.730612 Pd\n0.137767 0.407155 0.554579 Pd\n0.362233 0.416812 0.769388 Pd\n0.852576 0.083188 0.945421 Pd\n0.730612 0.647424 0.092845 Pd\n0.554579 0.137767 0.407155 Pd\n0.769388 0.362233 0.416812 Pd\n0.945421 0.852576 0.083188 Pd\n0.907155 0.269388 0.352576 Pd\n0.592845 0.445421 0.862233 Pd\n0.583188 0.230612 0.637767 Pd\n0.916812 0.054579 0.147424 Pd\n0.352576 0.907155 0.269388 Pd\n0.862233 0.592845 0.445421 Pd\n0.637767 0.583188 0.230612 Pd\n0.147424 0.916812 0.054579 Pd\n0.269388 0.352576 0.907155 Pd\n0.445421 0.862233 0.592845 Pd\n0.230612 0.637767 0.583188 Pd\n0.054579 0.147424 0.916812 Pd\n0.230612 0.592845 0.147424 Pd\n0.054579 0.907155 0.637767 Pd\n0.269388 0.916812 0.862233 Pd\n0.445421 0.583188 0.352576 Pd\n0.592845 0.147424 0.230612 Pd\n0.907155 0.637767 0.054579 Pd\n0.916812 0.862233 0.269388 Pd\n0.583188 0.352576 0.445421 Pd\n0.147424 0.230612 0.592845 Pd\n0.637767 0.054579 0.907155 Pd\n0.862233 0.269388 0.916812 Pd\n0.352576 0.445421 0.583188 Pd\n0.769388 0.407155 0.852576 Pd\n0.945421 0.092845 0.362233 Pd\n0.730612 0.083188 0.137767 Pd\n0.554579 0.416812 0.647424 Pd\n0.407155 0.852576 0.769388 Pd\n0.092845 0.362233 0.945421 Pd\n0.083188 0.137767 0.730612 Pd\n0.416812 0.647424 0.554579 Pd\n0.852576 0.769388 0.407155 Pd\n0.362233 0.945421 0.092845 Pd\n0.137767 0.730612 0.083188 Pd\n0.647424 0.554579 0.416812 Pd\n","nsites":184,"nelements":3,"elements":["Al","B","Pd"],"chemical_system":"Al-B-Pd","density":9.810904117330725,"density_atomic":0.07998434440138012,"volume":2300.4501865595726,"volume_molar":7.529149366755438,"formula_full":"Al8 B56 Pd120","formula_reduced":"AlB7Pd15","formula_anonymous":"AB7C15","energy":-1072.58282634,"energy_per_atom":-5.829254490978261,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1072.58282634,"band_gap":0.0083999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0491241,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.869000Z","spacegroup":230},{"id":"mp-554364","created_at":"2022-09-04T14:39:16.610367Z","structure_string":"Mg4 Be4 Al16 O32\n1.0\n2.831306 -4.903966 0.000000\n2.831306 4.903966 0.000000\n0.000000 0.000000 18.317496\nMg Be Al O\n4 4 16 32\ndirect\n0.000000 0.000000 0.155547 Mg\n0.333333 0.666667 0.405415 Mg\n0.666667 0.333333 0.905415 Mg\n0.000000 0.000000 0.655547 Mg\n0.666667 0.333333 0.718082 Be\n0.333333 0.666667 0.954659 Be\n0.666667 0.333333 0.454659 Be\n0.333333 0.666667 0.218082 Be\n0.163336 0.836664 0.813487 Al\n0.501473 0.002947 0.062395 Al\n0.002947 0.501473 0.562395 Al\n0.836664 0.673328 0.313487 Al\n0.000000 0.000000 0.945865 Al\n0.333333 0.666667 0.687113 Al\n0.836664 0.163336 0.313487 Al\n0.498527 0.997053 0.562395 Al\n0.326672 0.163336 0.313487 Al\n0.997053 0.498527 0.062395 Al\n0.501473 0.498527 0.062395 Al\n0.163336 0.326672 0.813487 Al\n0.000000 0.000000 0.445865 Al\n0.666667 0.333333 0.187113 Al\n0.498527 0.501473 0.562395 Al\n0.673328 0.836664 0.813487 Al\n0.360499 0.180250 0.499860 O\n0.368146 0.184073 0.121443 O\n0.180250 0.360499 0.999860 O\n0.333333 0.666667 0.509579 O\n0.852572 0.147428 0.874560 O\n0.333333 0.666667 0.121505 O\n0.000000 0.000000 0.260078 O\n0.666667 0.333333 0.621505 O\n0.506510 0.013020 0.251689 O\n0.639501 0.819750 0.999860 O\n0.666667 0.333333 0.366857 O\n0.184073 0.368146 0.621443 O\n0.815927 0.184073 0.121443 O\n0.147428 0.294857 0.374560 O\n0.184073 0.815927 0.621443 O\n0.631854 0.815927 0.621443 O\n0.506510 0.493490 0.251689 O\n0.815927 0.631854 0.121443 O\n0.147428 0.852572 0.374560 O\n0.705143 0.852572 0.374560 O\n0.294857 0.147428 0.874560 O\n0.013020 0.506510 0.751689 O\n0.493490 0.506510 0.751689 O\n0.819750 0.639501 0.499860 O\n0.666667 0.333333 0.009579 O\n0.493490 0.986980 0.751689 O\n0.819750 0.180250 0.499860 O\n0.180250 0.819750 0.999860 O\n0.333333 0.666667 0.866857 O\n0.986980 0.493490 0.251689 O\n0.852572 0.705143 0.874560 O\n0.000000 0.000000 0.760078 O\n","nsites":56,"nelements":4,"elements":["Mg","Be","Al","O"],"chemical_system":"Al-Be-Mg-O","density":3.515733514569006,"density_atomic":0.1100924828433328,"volume":508.6632488767725,"volume_molar":5.470074436026493,"formula_full":"Mg4 Be4 Al16 O32","formula_reduced":"MgBeAl4O8","formula_anonymous":"ABC4D8","energy":-425.50994828,"energy_per_atom":-7.5983919335714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-403.52594828,"band_gap":5.2368,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002057,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.817000Z","spacegroup":186},{"id":"mp-1077063","created_at":"2022-09-04T14:39:19.201064Z","structure_string":"La4 Bi2\n1.0\n-2.366167 2.366167 9.261109\n2.366167 -2.366167 9.261109\n2.366167 2.366167 -9.261109\nLa Bi\n4 2\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.678064 0.678064 0.000000 La\n0.321936 0.321936 0.000000 La\n0.861560 0.861560 0.000000 Bi\n0.138440 0.138440 0.000000 Bi\n","nsites":6,"nelements":2,"elements":["La","Bi"],"chemical_system":"Bi-La","density":7.7948571988105275,"density_atomic":0.028929270149850052,"volume":207.40239794923065,"volume_molar":20.81677390686337,"formula_full":"La4 Bi2","formula_reduced":"La2Bi","formula_anonymous":"AB2","energy":-32.08617206,"energy_per_atom":-5.347695343333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.08617206,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0285165,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.390000Z","spacegroup":139},{"id":"mp-1103280","created_at":"2022-09-04T14:39:21.252800Z","structure_string":"Y4 Ga4 Ir4\n1.0\n4.412080 0.000000 0.000000\n0.000000 6.839665 0.000000\n0.000000 0.000000 7.712600\nY Ga Ir\n4 4 4\ndirect\n0.250000 0.983411 0.307206 Y\n0.250000 0.483411 0.192794 Y\n0.750000 0.016589 0.692794 Y\n0.750000 0.516589 0.807206 Y\n0.250000 0.334773 0.574848 Ga\n0.250000 0.834773 0.925152 Ga\n0.750000 0.665227 0.425152 Ga\n0.750000 0.165227 0.074848 Ga\n0.250000 0.225056 0.898467 Ir\n0.250000 0.725056 0.601533 Ir\n0.750000 0.774944 0.101533 Ir\n0.750000 0.274944 0.398467 Ir\n","nsites":12,"nelements":3,"elements":["Y","Ga","Ir"],"chemical_system":"Ga-Ir-Y","density":10.012589591981355,"density_atomic":0.051558732060698546,"volume":232.7442805589703,"volume_molar":11.680156821758757,"formula_full":"Y4 Ga4 Ir4","formula_reduced":"YGaIr","formula_anonymous":"ABC","energy":-83.8170526,"energy_per_atom":-6.984754383333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.8170526,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.63e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.638000Z","spacegroup":62},{"id":"mp-1195471","created_at":"2022-09-04T14:39:21.009575Z","structure_string":"K4 Ta8 O22\n1.0\n12.591411 -3.172515 0.000000\n12.591411 3.172515 0.000000\n11.792068 0.000000 5.436506\nK Ta O\n4 8 22\ndirect\n0.825884 0.825884 0.825884 K\n0.325884 0.325884 0.325884 K\n0.174116 0.174116 0.174116 K\n0.674116 0.674116 0.674116 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.250000 0.615485 0.884515 Ta\n0.884515 0.250000 0.615485 Ta\n0.615485 0.884515 0.250000 Ta\n0.384515 0.115485 0.750000 Ta\n0.750000 0.384515 0.115485 Ta\n0.115485 0.750000 0.384515 Ta\n0.261531 0.568605 0.764904 O\n0.764904 0.261531 0.568605 O\n0.568605 0.764904 0.261531 O\n0.264904 0.068605 0.761531 O\n0.761531 0.264904 0.068605 O\n0.068605 0.761531 0.264904 O\n0.738469 0.431395 0.235096 O\n0.235096 0.738469 0.431395 O\n0.431395 0.235096 0.738469 O\n0.735096 0.931395 0.238469 O\n0.238469 0.735096 0.931395 O\n0.931395 0.238469 0.735096 O\n0.906370 0.906370 0.906370 O\n0.406370 0.406370 0.406370 O\n0.093630 0.093630 0.093630 O\n0.593630 0.593630 0.593630 O\n0.004357 0.495643 0.250000 O\n0.250000 0.004357 0.495643 O\n0.495643 0.250000 0.004357 O\n0.750000 0.995643 0.504357 O\n0.504357 0.750000 0.995643 O\n0.995643 0.504357 0.750000 O\n","nsites":34,"nelements":3,"elements":["K","Ta","O"],"chemical_system":"K-O-Ta","density":7.477936792317835,"density_atomic":0.0782800267581557,"volume":434.3381243984778,"volume_molar":7.6930744781236,"formula_full":"K4 Ta8 O22","formula_reduced":"K2Ta4O11","formula_anonymous":"A2B4C11","energy":-317.14937025,"energy_per_atom":-9.327922654411765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-302.03537025,"band_gap":3.3655,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012374,"is_theoretical":false,"updated_at":"2021-11-28T01:34:34.865000Z","spacegroup":167},{"id":"mp-1079071","created_at":"2022-09-04T14:39:16.718699Z","structure_string":"Eu2 Tl6\n1.0\n3.629036 -6.285674 0.000000\n3.629036 6.285674 0.000000\n0.000000 0.000000 5.430290\nEu Tl\n2 6\ndirect\n0.333333 0.666667 0.250000 Eu\n0.666667 0.333333 0.750000 Eu\n0.835944 0.164056 0.250000 Tl\n0.835944 0.671888 0.250000 Tl\n0.328112 0.164056 0.250000 Tl\n0.164056 0.835944 0.750000 Tl\n0.164056 0.328112 0.750000 Tl\n0.671888 0.835944 0.750000 Tl\n","nsites":8,"nelements":2,"elements":["Eu","Tl"],"chemical_system":"Eu-Tl","density":10.25673267873725,"density_atomic":0.03229191781793173,"volume":247.74000866426064,"volume_molar":18.649065050747463,"formula_full":"Eu2 Tl6","formula_reduced":"EuTl3","formula_anonymous":"AB3","energy":-36.81131584,"energy_per_atom":-4.60141448,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.81131584,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0817661,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.115000Z","spacegroup":194},{"id":"mp-1190169","created_at":"2022-09-04T14:39:22.208508Z","structure_string":"Li2 C12 N8\n1.0\n5.608429 0.000000 0.000000\n0.000000 5.414315 0.000000\n-3.117058 0.000000 11.845249\nLi C N\n2 12 8\ndirect\n0.500000 0.657962 0.750000 Li\n0.500000 0.342038 0.250000 Li\n0.879723 0.255655 0.895770 C\n0.120277 0.255655 0.604230 C\n0.120277 0.744345 0.104230 C\n0.879723 0.744345 0.395770 C\n0.189954 0.952595 0.895160 C\n0.810046 0.952595 0.604840 C\n0.810046 0.047405 0.104840 C\n0.189954 0.047405 0.395160 C\n0.018377 0.052813 0.948678 C\n0.981623 0.052813 0.551322 C\n0.981623 0.947187 0.051322 C\n0.018377 0.947187 0.448678 C\n0.760016 0.422954 0.851994 N\n0.239984 0.422954 0.648006 N\n0.239984 0.577046 0.148006 N\n0.760016 0.577046 0.351994 N\n0.330242 0.866553 0.849710 N\n0.669758 0.866553 0.650290 N\n0.669758 0.133447 0.150290 N\n0.330242 0.133447 0.349710 N\n","nsites":22,"nelements":3,"elements":["Li","C","N"],"chemical_system":"C-Li-N","density":1.2467714636048397,"density_atomic":0.061163698805999096,"volume":359.6904770226581,"volume_molar":9.845939466645424,"formula_full":"Li2 C12 N8","formula_reduced":"Li(C3N2)2","formula_anonymous":"AB4C6","energy":-178.81129785000005,"energy_per_atom":-8.127786265909092,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.92329785,"band_gap":0.3327,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.0862158,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.293000Z","spacegroup":13},{"id":"mp-1190334","created_at":"2022-09-04T14:39:21.044446Z","structure_string":"La2 Tl4 P4 S14\n1.0\n3.377339 10.479404 0.000000\n-3.377339 10.479404 0.000000\n0.000000 2.985618 8.940935\nLa Tl P S\n2 4 4 14\ndirect\n0.347397 0.347397 0.838355 La\n0.652603 0.652603 0.161645 La\n0.010029 0.010029 0.746762 Tl\n0.989971 0.989971 0.253238 Tl\n0.313262 0.313262 0.326737 Tl\n0.686738 0.686738 0.673263 Tl\n0.453948 0.453948 0.466097 P\n0.546052 0.546052 0.533903 P\n0.164835 0.164835 0.931326 P\n0.835165 0.835165 0.068674 P\n0.510773 0.510773 0.759771 S\n0.489227 0.489227 0.240229 S\n0.233686 0.233686 0.721228 S\n0.766314 0.766314 0.278772 S\n0.845016 0.353258 0.439647 S\n0.353258 0.845016 0.439647 S\n0.154984 0.646742 0.560353 S\n0.646742 0.154984 0.560353 S\n0.860382 0.346923 0.958841 S\n0.346923 0.860382 0.958841 S\n0.139618 0.653077 0.041159 S\n0.653077 0.139618 0.041159 S\n0.786510 0.786510 0.908946 S\n0.213490 0.213490 0.091054 S\n","nsites":24,"nelements":4,"elements":["La","Tl","P","S"],"chemical_system":"La-P-S-Tl","density":4.376831365097504,"density_atomic":0.03792163640343494,"volume":632.8840808627679,"volume_molar":15.88048758216171,"formula_full":"La2 Tl4 P4 S14","formula_reduced":"LaTl2P2S7","formula_anonymous":"AB2C2D7","energy":-124.63120482,"energy_per_atom":-5.1929668675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.58920482,"band_gap":2.0622,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.010912,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.795000Z","spacegroup":12},{"id":"mp-1198177","created_at":"2022-09-04T14:39:21.045191Z","structure_string":"Sn8 P4 O20\n1.0\n7.723455 0.000000 0.000000\n0.000000 6.663555 0.000000\n0.000000 4.409896 9.932705\nSn P O\n8 4 20\ndirect\n0.021577 0.739560 0.660273 Sn\n0.478423 0.739560 0.160273 Sn\n0.978423 0.260440 0.339727 Sn\n0.521577 0.260440 0.839727 Sn\n0.451803 0.242150 0.515527 Sn\n0.048197 0.242150 0.015527 Sn\n0.548197 0.757850 0.484473 Sn\n0.951803 0.757850 0.984473 Sn\n0.605938 0.779173 0.786873 P\n0.894062 0.779173 0.286873 P\n0.394062 0.220827 0.213127 P\n0.105938 0.220827 0.713127 P\n0.700463 0.758700 0.917599 O\n0.799537 0.758700 0.417599 O\n0.299537 0.241300 0.082401 O\n0.200463 0.241300 0.582401 O\n0.010882 0.995112 0.769774 O\n0.489118 0.995112 0.269774 O\n0.989118 0.004888 0.230226 O\n0.510882 0.004888 0.730226 O\n0.733215 0.771469 0.675848 O\n0.766785 0.771469 0.175848 O\n0.266785 0.228531 0.324152 O\n0.233215 0.228531 0.824152 O\n0.969235 0.401622 0.681796 O\n0.530765 0.401622 0.181796 O\n0.030765 0.598378 0.318204 O\n0.469235 0.598378 0.818204 O\n0.534068 0.427846 0.624259 O\n0.965932 0.427846 0.124259 O\n0.465932 0.572154 0.375741 O\n0.034068 0.572154 0.875741 O\n","nsites":32,"nelements":3,"elements":["Sn","P","O"],"chemical_system":"O-P-Sn","density":4.526792368686805,"density_atomic":0.06259863077528231,"volume":511.193289752202,"volume_molar":9.62024358267258,"formula_full":"Sn8 P4 O20","formula_reduced":"Sn2PO5","formula_anonymous":"AB2C5","energy":-221.04440782,"energy_per_atom":-6.907637744375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.30440782,"band_gap":0.2553000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035145,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.618000Z","spacegroup":14},{"id":"mp-6986","created_at":"2022-09-04T14:39:21.047726Z","structure_string":"Ta1\n1.0\n0.000000 2.113434 2.113434\n2.113434 0.000000 2.113434\n2.113434 2.113434 0.000000\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n","nsites":1,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":15.914995911810305,"density_atomic":0.05296682426390808,"volume":18.879742440616855,"volume_molar":11.369646648994065,"formula_full":"Ta1","formula_reduced":"Ta","formula_anonymous":"A","energy":-11.6128968,"energy_per_atom":-11.6128968,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.6128968,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004769,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.030000Z","spacegroup":225},{"id":"mp-636773","created_at":"2022-09-04T14:39:24.930543Z","structure_string":"Ce6 Al4 I4\n1.0\n2.108358 9.751770 0.000000\n-2.108358 9.751770 0.000000\n0.000000 6.369507 10.346233\nCe Al I\n6 4 4\ndirect\n0.171952 0.171952 0.602330 Ce\n0.465382 0.465382 0.690938 Ce\n0.245094 0.245094 0.194858 Ce\n0.754906 0.754906 0.805142 Ce\n0.534618 0.534618 0.309062 Ce\n0.828048 0.828048 0.397670 Ce\n0.926199 0.926199 0.532519 Al\n0.073801 0.073801 0.467481 Al\n0.659572 0.659572 0.415639 Al\n0.340428 0.340428 0.584361 Al\n0.858540 0.858540 0.939906 I\n0.576407 0.576407 0.829077 I\n0.141460 0.141460 0.060094 I\n0.423593 0.423593 0.170923 I\n","nsites":14,"nelements":3,"elements":["Ce","Al","I"],"chemical_system":"Al-Ce-I","density":5.683842141298475,"density_atomic":0.032906976384447076,"volume":425.44170076400155,"volume_molar":18.300498622675835,"formula_full":"Ce6 Al4 I4","formula_reduced":"Ce3(AlI)2","formula_anonymous":"A2B2C3","energy":-67.77682246,"energy_per_atom":-4.841201604285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.26082246,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.7329818,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.228000Z","spacegroup":12},{"id":"mp-559437","created_at":"2022-09-04T14:39:21.934688Z","structure_string":"Zn2 C4 O8\n1.0\n5.311731 0.000000 0.000000\n0.000000 5.384379 0.000000\n0.000000 3.122305 5.498950\nZn C O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.112379 0.454362 0.090018 C\n0.612379 0.545638 0.409982 C\n0.387621 0.454362 0.590018 C\n0.887621 0.545638 0.909982 C\n0.300856 0.638956 0.639250 O\n0.800856 0.361044 0.860750 O\n0.804584 0.798784 0.824175 O\n0.699144 0.361044 0.360750 O\n0.695416 0.798784 0.324175 O\n0.304584 0.201216 0.675825 O\n0.199144 0.638956 0.139250 O\n0.195416 0.201216 0.175825 O\n","nsites":14,"nelements":3,"elements":["Zn","C","O"],"chemical_system":"C-O-Zn","density":3.239904815244309,"density_atomic":0.0890177412024009,"volume":157.27202028377692,"volume_molar":6.765101741131999,"formula_full":"Zn2 C4 O8","formula_reduced":"Zn(CO2)2","formula_anonymous":"AB2C4","energy":-101.72234139,"energy_per_atom":-7.265881527857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.22634139,"band_gap":3.2028,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008283,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.153000Z","spacegroup":14}]}