{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=49","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=47","results":[{"id":"mp-1030319","created_at":"2022-09-04T14:44:57.799261Z","structure_string":"Te8 Mo4\n1.0\n1.779355 -3.081934 0.000000\n1.779355 3.081934 0.000000\n0.000000 0.000000 40.693290\nTe Mo\n8 4\ndirect\n0.333333 0.666667 0.861247 Te\n0.333333 0.666667 0.238377 Te\n0.666667 0.333333 0.672682 Te\n0.666667 0.333333 0.049812 Te\n0.666667 0.333333 0.761623 Te\n0.666667 0.333333 0.138753 Te\n0.333333 0.666667 0.950188 Te\n0.333333 0.666667 0.327318 Te\n0.333333 0.666667 0.717153 Mo\n0.333333 0.666667 0.094283 Mo\n0.666667 0.333333 0.905717 Mo\n0.666667 0.333333 0.282847 Mo\n","nsites":12,"nelements":2,"elements":["Te","Mo"],"chemical_system":"Mo-Te","density":5.225774405192369,"density_atomic":0.0268870100748555,"volume":446.31217701749205,"volume_molar":22.397956274178117,"formula_full":"Te8 Mo4","formula_reduced":"Te2Mo","formula_anonymous":"AB2","energy":-75.20950652,"energy_per_atom":-6.267458876666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.83350652,"band_gap":2.5962,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001895,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.632000Z","spacegroup":164},{"id":"mp-572292","created_at":"2022-09-04T14:44:57.799561Z","structure_string":"Fe4 Co4 P4 O16 F4\n1.0\n3.253164 6.565697 0.000000\n-3.253164 6.565697 0.000000\n0.000000 4.724285 8.743015\nFe Co P O F\n4 4 4 16 4\ndirect\n0.498792 0.082425 0.645970 Fe\n0.793896 0.580323 0.502111 Fe\n0.082425 0.498792 0.145970 Fe\n0.580323 0.793896 0.002111 Fe\n0.173520 0.651394 0.627709 Co\n0.897655 0.107710 0.780044 Co\n0.107710 0.897655 0.280044 Co\n0.651394 0.173520 0.127709 Co\n0.078655 0.274889 0.945109 P\n0.274889 0.078655 0.445109 P\n0.621409 0.428315 0.332459 P\n0.428315 0.621409 0.832459 P\n0.497892 0.788614 0.828053 O\n0.913959 0.216853 0.937169 O\n0.628959 0.452636 0.724610 O\n0.199688 0.769868 0.775309 O\n0.314589 0.233148 0.281961 O\n0.935886 0.505306 0.003091 O\n0.769868 0.199688 0.275309 O\n0.389754 0.478310 0.999146 O\n0.076111 0.233313 0.561009 O\n0.478310 0.389754 0.499146 O\n0.452636 0.628959 0.224610 O\n0.216853 0.913959 0.437169 O\n0.233313 0.076111 0.061009 O\n0.788614 0.497892 0.328053 O\n0.505306 0.935886 0.503091 O\n0.233148 0.314589 0.781961 O\n0.703675 0.984291 0.990058 F\n0.797036 0.961131 0.699490 F\n0.984291 0.703675 0.490058 F\n0.961131 0.797036 0.199490 F\n","nsites":32,"nelements":5,"elements":["Fe","Co","P","O","F"],"chemical_system":"Co-F-Fe-O-P","density":4.068068951653687,"density_atomic":0.08567852175919961,"volume":373.48917024894916,"volume_molar":7.0287636111711755,"formula_full":"Fe4 Co4 P4 O16 F4","formula_reduced":"FeCoPO4F","formula_anonymous":"ABCDE4","energy":-243.37265587,"energy_per_atom":-7.6053954959375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-214.95665587,"band_gap":2.4339,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.892000Z","spacegroup":9},{"id":"mp-1520691","created_at":"2022-09-04T14:44:57.804832Z","structure_string":"Eu2 Hf1 Zr1 O6\n1.0\n0.000000 -4.161505 -4.161505\n4.161505 -0.000000 -4.161505\n4.161505 -4.161505 -0.000000\nEu Hf Zr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751900 0.248100 0.248100 O\n0.248100 0.751900 0.751900 O\n0.751900 0.248100 0.751900 O\n0.248100 0.751900 0.248100 O\n0.751900 0.751900 0.248100 O\n0.248100 0.248100 0.751900 O\n","nsites":10,"nelements":4,"elements":["Eu","Hf","Zr","O"],"chemical_system":"Eu-Hf-O-Zr","density":7.71450721482551,"density_atomic":0.06937751532434462,"volume":144.13891810984174,"volume_molar":8.680248538515801,"formula_full":"Eu2 Hf1 Zr1 O6","formula_reduced":"Eu2HfZrO6","formula_anonymous":"ABC2D6","energy":-105.10259598000002,"energy_per_atom":-10.510259598000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.98059598,"band_gap":0.3481000000000005,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":13.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.185000Z","spacegroup":225},{"id":"mp-1175953","created_at":"2022-09-04T14:44:57.859038Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.911096 0.000000 0.000000\n1.450502 6.272843 0.000000\n1.912762 0.108594 7.640744\nLi Mn Co O\n9 2 5 16\ndirect\n0.074997 0.133731 0.621762 Li\n0.811910 0.621382 0.127137 Li\n0.548611 0.129893 0.619857 Li\n0.940682 0.862471 0.385004 Li\n0.689591 0.384654 0.867676 Li\n0.434954 0.861641 0.385643 Li\n0.314073 0.622808 0.131074 Li\n0.180505 0.384298 0.860771 Li\n0.246853 0.502669 0.502397 Li\n0.004666 0.998587 0.998835 Mn\n0.620882 0.252981 0.254976 Mn\n0.746021 0.499854 0.502276 Co\n0.505670 0.998913 0.000209 Co\n0.370071 0.750584 0.743921 Co\n0.125349 0.252355 0.258067 Co\n0.881458 0.746908 0.745313 Co\n0.275001 0.052394 0.819588 O\n0.016719 0.537696 0.316757 O\n0.795412 0.042205 0.834992 O\n0.135828 0.813830 0.575115 O\n0.898873 0.293084 0.065144 O\n0.641323 0.796156 0.567496 O\n0.534842 0.543603 0.305584 O\n0.417938 0.289948 0.083892 O\n0.830382 0.204367 0.420156 O\n0.602214 0.713584 0.927870 O\n0.359592 0.183308 0.422854 O\n0.737272 0.949776 0.181192 O\n0.479577 0.456095 0.683940 O\n0.209580 0.961299 0.167917 O\n0.112299 0.701828 0.937104 O\n0.956859 0.457097 0.685480 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.237602295078532,"density_atomic":0.11294887216719407,"volume":283.31402860430137,"volume_molar":5.331740498555529,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.71536437,"energy_per_atom":-6.5223551365625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.19736437,"band_gap":0.4237000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9999966,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.785000Z","spacegroup":1},{"id":"mp-1207903","created_at":"2022-09-04T14:44:57.800583Z","structure_string":"V6 Pb10 O24 F2\n1.0\n5.149963 -8.919997 0.000000\n5.149963 8.919997 0.000000\n0.000000 0.000000 7.546540\nV Pb O F\n6 10 24 2\ndirect\n0.399152 0.028251 0.750000 V\n0.600848 0.971749 0.250000 V\n0.971749 0.370900 0.750000 V\n0.028251 0.629100 0.250000 V\n0.629100 0.600848 0.750000 V\n0.370900 0.399152 0.250000 V\n0.333333 0.666667 0.507168 Pb\n0.666667 0.333333 0.492832 Pb\n0.666667 0.333333 0.007168 Pb\n0.333333 0.666667 0.992832 Pb\n0.246582 0.242610 0.750000 Pb\n0.753418 0.757390 0.250000 Pb\n0.757390 0.003973 0.750000 Pb\n0.242610 0.996027 0.250000 Pb\n0.996027 0.753418 0.750000 Pb\n0.003973 0.246582 0.250000 Pb\n0.166889 0.490693 0.750000 O\n0.833111 0.509307 0.250000 O\n0.509307 0.676196 0.750000 O\n0.490693 0.323804 0.250000 O\n0.323804 0.833111 0.750000 O\n0.676196 0.166889 0.250000 O\n0.596439 0.123037 0.750000 O\n0.403561 0.876963 0.250000 O\n0.876963 0.473402 0.750000 O\n0.123037 0.526598 0.250000 O\n0.526598 0.403561 0.750000 O\n0.473402 0.596439 0.250000 O\n0.341045 0.088772 0.567528 O\n0.658955 0.911228 0.432472 O\n0.911228 0.252273 0.567528 O\n0.658955 0.911228 0.067528 O\n0.088772 0.747727 0.432472 O\n0.341045 0.088772 0.932472 O\n0.747727 0.658955 0.567528 O\n0.088772 0.747727 0.067528 O\n0.252273 0.341045 0.432472 O\n0.911228 0.252273 0.932472 O\n0.252273 0.341045 0.067528 O\n0.747727 0.658955 0.932472 O\n0.000000 0.000000 0.750000 F\n0.000000 0.000000 0.250000 F\n","nsites":42,"nelements":4,"elements":["V","Pb","O","F"],"chemical_system":"F-O-Pb-V","density":6.705069180362538,"density_atomic":0.060576279931557876,"volume":693.340694533466,"volume_molar":9.941417278849274,"formula_full":"V6 Pb10 O24 F2","formula_reduced":"V3Pb5O12F","formula_anonymous":"AB3C5D12","energy":-303.71884217,"energy_per_atom":-7.231401004047619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.10684217,"band_gap":3.0026,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.87e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.742000Z","spacegroup":176},{"id":"mp-41092","created_at":"2022-09-04T14:44:57.813769Z","structure_string":"As4 S4 Cl4 O4 F32\n1.0\n9.090528 0.000000 0.000000\n0.000000 8.491977 0.000000\n0.000000 7.483853 9.819742\nAs S Cl O F\n4 4 4 4 32\ndirect\n0.186413 0.194790 0.559387 As\n0.686413 0.805210 0.940613 As\n0.313587 0.194790 0.059387 As\n0.813587 0.805210 0.440613 As\n0.178420 0.629292 0.122326 S\n0.678420 0.370708 0.377674 S\n0.321580 0.629292 0.622326 S\n0.821580 0.370708 0.877674 S\n0.204180 0.851934 0.936080 Cl\n0.704180 0.148066 0.563920 Cl\n0.295820 0.851934 0.436080 Cl\n0.795820 0.148066 0.063920 Cl\n0.803088 0.480756 0.303517 O\n0.303088 0.519244 0.196483 O\n0.696912 0.480756 0.803517 O\n0.196912 0.519244 0.696483 O\n0.091886 0.705782 0.188446 F\n0.231922 0.448490 0.472965 F\n0.555787 0.495221 0.377453 F\n0.851822 0.836066 0.003287 F\n0.649364 0.061096 0.851035 F\n0.589214 0.746709 0.084266 F\n0.025695 0.222814 0.626234 F\n0.286726 0.137483 0.704906 F\n0.089214 0.253291 0.415734 F\n0.351822 0.163934 0.496713 F\n0.055787 0.504779 0.122547 F\n0.786726 0.862517 0.795094 F\n0.731922 0.551510 0.027035 F\n0.525695 0.777186 0.873766 F\n0.591886 0.294218 0.311554 F\n0.149364 0.938904 0.648965 F\n0.850636 0.061096 0.351035 F\n0.408114 0.705782 0.688446 F\n0.474305 0.222814 0.126234 F\n0.268078 0.448490 0.972965 F\n0.213274 0.137483 0.204906 F\n0.944213 0.495221 0.877453 F\n0.648178 0.836066 0.503287 F\n0.910786 0.746709 0.584266 F\n0.713274 0.862517 0.295094 F\n0.974305 0.777186 0.373766 F\n0.410786 0.253291 0.915734 F\n0.350636 0.938904 0.148965 F\n0.148178 0.163934 0.996713 F\n0.444213 0.504779 0.622547 F\n0.768078 0.551510 0.527035 F\n0.908114 0.294218 0.811554 F\n","nsites":48,"nelements":5,"elements":["As","S","Cl","O","F"],"chemical_system":"As-Cl-F-O-S","density":2.7200037182012515,"density_atomic":0.06332034053913509,"volume":758.0502503825551,"volume_molar":9.510594397827065,"formula_full":"As4 S4 Cl4 O4 F32","formula_reduced":"AsSClOF8","formula_anonymous":"ABCDE8","energy":-222.80805267,"energy_per_atom":-4.641834430625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-202.82005267,"band_gap":3.8249,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.208000Z","spacegroup":14},{"id":"mp-1094018","created_at":"2022-09-04T14:44:57.854469Z","structure_string":"Zn8 Ga4 S14\n1.0\n6.966979 0.000000 0.000000\n0.000000 9.691339 0.000000\n0.000000 4.023397 8.968174\nZn Ga S\n8 4 14\ndirect\n0.250000 0.587957 0.382904 Zn\n0.750000 0.412043 0.617096 Zn\n0.250000 0.566778 0.768156 Zn\n0.750000 0.433222 0.231844 Zn\n0.250000 0.025349 0.036076 Zn\n0.750000 0.974651 0.963924 Zn\n0.250000 0.988854 0.561767 Zn\n0.750000 0.011146 0.438233 Zn\n0.250000 0.719694 0.032262 Ga\n0.750000 0.280306 0.967738 Ga\n0.250000 0.314109 0.282516 Ga\n0.750000 0.685891 0.717484 Ga\n0.486136 0.816537 0.130860 S\n0.986136 0.183463 0.869140 S\n0.513864 0.183463 0.869140 S\n0.013864 0.816537 0.130860 S\n0.490393 0.402968 0.393549 S\n0.990393 0.597032 0.606451 S\n0.509607 0.597032 0.606451 S\n0.009607 0.402968 0.393549 S\n0.250000 0.480022 0.036953 S\n0.750000 0.519978 0.963047 S\n0.250000 0.807251 0.779062 S\n0.750000 0.192749 0.220938 S\n0.250000 0.068494 0.322287 S\n0.750000 0.931506 0.677713 S\n","nsites":26,"nelements":3,"elements":["Zn","Ga","S"],"chemical_system":"Ga-S-Zn","density":3.430834617096671,"density_atomic":0.04293792324714589,"volume":605.525326652314,"volume_molar":14.02522596478929,"formula_full":"Zn8 Ga4 S14","formula_reduced":"Zn4Ga2S7","formula_anonymous":"A2B4C7","energy":-97.17050738,"energy_per_atom":-3.737327206923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.12850738,"band_gap":0.4008000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005504,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.934000Z","spacegroup":11},{"id":"mp-1408926","created_at":"2022-09-04T14:44:57.877090Z","structure_string":"Co2 O4\n1.0\n1.522767 -2.637510 0.000000\n1.522767 2.637510 0.000000\n0.000000 0.000000 10.455227\nCo O\n2 4\ndirect\n0.666667 0.333333 0.750000 Co\n0.333333 0.666667 0.250000 Co\n0.333333 0.666667 0.399514 O\n0.666667 0.333333 0.899514 O\n0.333333 0.666667 0.100486 O\n0.666667 0.333333 0.600486 O\n","nsites":6,"nelements":2,"elements":["Co","O"],"chemical_system":"Co-O","density":3.5958765935691974,"density_atomic":0.07144308780274691,"volume":83.98293221264305,"volume_molar":8.429283987034578,"formula_full":"Co2 O4","formula_reduced":"CoO2","formula_anonymous":"AB2","energy":-32.81416749,"energy_per_atom":-5.469027915000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.79016749,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013456,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.961000Z","spacegroup":194},{"id":"mp-711","created_at":"2022-09-04T14:44:57.878354Z","structure_string":"Ce2 Ga12\n1.0\n6.014637 0.000000 0.000000\n0.000000 6.014637 0.000000\n0.000000 0.000000 7.725658\nCe Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.000000 Ce\n0.683733 0.816267 0.351754 Ga\n0.316267 0.183733 0.351754 Ga\n0.000000 0.000000 0.161203 Ga\n0.000000 0.000000 0.838797 Ga\n0.500000 0.500000 0.838797 Ga\n0.500000 0.500000 0.161203 Ga\n0.183733 0.316267 0.648246 Ga\n0.683733 0.183733 0.648246 Ga\n0.316267 0.816267 0.648246 Ga\n0.183733 0.683733 0.351754 Ga\n0.816267 0.316267 0.351754 Ga\n0.816267 0.683733 0.648246 Ga\n","nsites":14,"nelements":2,"elements":["Ce","Ga"],"chemical_system":"Ce-Ga","density":6.636088619969054,"density_atomic":0.050092616124817475,"volume":279.48230863238854,"volume_molar":12.02201287510005,"formula_full":"Ce2 Ga12","formula_reduced":"CeGa6","formula_anonymous":"AB6","energy":-52.71564506,"energy_per_atom":-3.7654032185714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.71564506,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0083101,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.296000Z","spacegroup":125},{"id":"mp-1180189","created_at":"2022-09-04T14:44:57.881241Z","structure_string":"Na1 Al3 Cr2 O14\n1.0\n6.167215 -3.535681 0.000000\n6.167215 3.535681 0.000000\n4.140200 0.000000 5.778783\nNa Al Cr O\n1 3 2 14\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.687657 0.687657 0.687657 Cr\n0.312343 0.312343 0.312343 Cr\n0.596064 0.596064 0.596064 O\n0.403936 0.403936 0.403936 O\n0.852162 0.466106 0.852162 O\n0.852162 0.852162 0.466106 O\n0.466106 0.852162 0.852162 O\n0.147838 0.533894 0.147838 O\n0.147838 0.147838 0.533894 O\n0.533894 0.147838 0.147838 O\n0.742455 0.084504 0.742455 O\n0.742455 0.742455 0.084504 O\n0.084504 0.742455 0.742455 O\n0.257545 0.915496 0.257545 O\n0.257545 0.257545 0.915496 O\n0.915496 0.257545 0.257545 O\n","nsites":20,"nelements":4,"elements":["Na","Al","Cr","O"],"chemical_system":"Al-Cr-Na-O","density":2.8459157631254968,"density_atomic":0.07935996174549984,"volume":252.01625051355464,"volume_molar":7.588386672000242,"formula_full":"Na1 Al3 Cr2 O14","formula_reduced":"NaAl3Cr2O14","formula_anonymous":"AB2C3D14","energy":-138.2290415,"energy_per_atom":-6.911452075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.6130415,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0001345,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.190000Z","spacegroup":166},{"id":"mp-1027311","created_at":"2022-09-04T14:44:57.882027Z","structure_string":"Te4 Mo2 W2 Se2 S2\n1.0\n1.699505 -2.943629 0.000000\n1.699505 2.943629 0.000000\n0.000000 0.000000 38.746351\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.000000 0.000000 0.330061 Te\n0.000000 0.000000 0.706139 Te\n0.000000 0.000000 0.233447 Te\n0.000000 0.000000 0.608947 Te\n0.000000 0.000000 0.093980 Mo\n0.333333 0.666667 0.281808 Mo\n0.000000 0.000000 0.469636 W\n0.333333 0.666667 0.657540 W\n0.333333 0.666667 0.426943 Se\n0.333333 0.666667 0.512370 Se\n0.333333 0.666667 0.055148 S\n0.333333 0.666667 0.132729 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.534120981065783,"density_atomic":0.03095386773387013,"volume":387.6736859888253,"volume_molar":19.455212549772885,"formula_full":"Te4 Mo2 W2 Se2 S2","formula_reduced":"Te2MoWSeS","formula_anonymous":"ABCDE2","energy":-83.72809918,"energy_per_atom":-6.977341598333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.09009918,"band_gap":1.3441999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.947000Z","spacegroup":156},{"id":"mp-1178014","created_at":"2022-09-04T14:44:55.654169Z","structure_string":"Li2 Cu2 Si8 O19\n1.0\n2.466064 6.777926 0.000000\n-2.466064 6.777926 0.000000\n0.000000 3.955099 11.781751\nLi Cu Si O\n2 2 8 19\ndirect\n0.242499 0.549995 0.631510 Li\n0.450005 0.757501 0.368490 Li\n0.331761 0.271366 0.402706 Cu\n0.728634 0.668239 0.597294 Cu\n0.527234 0.230935 0.929477 Si\n0.126503 0.854998 0.168293 Si\n0.930626 0.928838 0.421829 Si\n0.660288 0.781254 0.829011 Si\n0.218746 0.339712 0.170989 Si\n0.071162 0.069374 0.578171 Si\n0.145002 0.873497 0.831707 Si\n0.769065 0.472766 0.070523 Si\n0.822551 0.144696 0.891678 O\n0.253616 0.580567 0.902379 O\n0.122342 0.879369 0.296423 O\n0.598279 0.249474 0.430040 O\n0.541180 0.073299 0.852179 O\n0.974562 0.660093 0.457349 O\n0.862515 0.675516 0.707929 O\n0.120361 0.633893 0.172233 O\n0.840766 0.527193 0.934996 O\n0.472807 0.159234 0.065004 O\n0.366107 0.879639 0.827767 O\n0.324484 0.137485 0.292071 O\n0.339907 0.025438 0.542651 O\n0.926701 0.458820 0.147821 O\n0.750526 0.401721 0.569960 O\n0.120631 0.877658 0.703577 O\n0.125781 0.874219 0.500000 O\n0.419433 0.746384 0.097621 O\n0.855304 0.177449 0.108322 O\n","nsites":31,"nelements":4,"elements":["Li","Cu","Si","O"],"chemical_system":"Cu-Li-O-Si","density":2.82327877800879,"density_atomic":0.07870832892524576,"volume":393.8592068120598,"volume_molar":7.651211558207016,"formula_full":"Li2 Cu2 Si8 O19","formula_reduced":"Li2Cu2Si8O19","formula_anonymous":"A2B2C8D19","energy":-235.96072332,"energy_per_atom":-7.611636236129033,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-222.90772332,"band_gap":0.2637,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9137062,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.299000Z","spacegroup":5}]}