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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-23571
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 18
Number of elements: 4
Element list: ['K', 'Ba', 'Bi', 'O']
Chemical System: Ba-Bi-K-O
Density: 5.7597984571965615
Atomic Density: 0.02535247001751484
Unit Cell Volume: 709.9899925949874
Molar Volume: 23.75366485332429
Full Formula: K2 Ba8 Bi6 O2
Reduced Formula: KBa4Bi3O
Formula Anonymous: ABC3D4
Spacegroup Number: 140
Spacegroup Symbol: I4/mcm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -74.30205617
Final energy per atom: -4.1278920094444445
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.