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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-15002
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 20
Number of elements: 4
Element list: ['Sr', 'Ca', 'Ir', 'O']
Chemical System: Ca-Ir-O-Sr
Density: 5.87451237382179
Atomic Density: 0.07025806220573759
Unit Cell Volume: 284.66483948039644
Molar Volume: 8.571458663868764
Full Formula: Sr4 Ca2 Ir2 O12
Reduced Formula: Sr2CaIrO6
Formula Anonymous: ABC2D6
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -138.74881185
Final energy per atom: -6.937440592500001
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.