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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-555273
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: 40
Number of elements: 4
Element list: ['Ca', 'Ge', 'Cl', 'O']
Chemical System: Ca-Cl-Ge-O
Density: 3.066514298288859
Atomic Density: 0.05633997183831333
Unit Cell Volume: 709.975505752711
Molar Volume: 10.688931079487539
Full Formula: Ca12 Ge4 Cl8 O16
Reduced Formula: Ca3Ge(ClO2)2
Formula Anonymous: AB2C3D4
Spacegroup Number: 62
Spacegroup Symbol: Pnma
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -253.36458651
Final energy per atom: -6.33411466275
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.