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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-1147747
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 9
Number of elements: 5
Element list: ['Na', 'Li', 'Cu', 'I', 'O']
Chemical System: Cu-I-Li-Na-O
Density: 3.6013524537586634
Atomic Density: 0.04769877199611671
Unit Cell Volume: 188.6841028262261
Molar Volume: 12.625358071042749
Full Formula: Na2 Li2 Cu1 I2 O2
Reduced Formula: Na2Li2Cu(IO)2
Formula Anonymous: AB2C2D2E2
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -34.438969879999995
Final energy per atom: -3.8265522088888884
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.