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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-1147632
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 8
Number of elements: 5
Element list: ['Ca', 'Cu', 'C', 'N', 'O']
Chemical System: C-Ca-Cu-N-O
Density: 3.224962382657565
Atomic Density: 0.0720220147819019
Unit Cell Volume: 111.07714806681977
Molar Volume: 8.361527760971882
Full Formula: Ca2 Cu1 C1 N2 O2
Reduced Formula: Ca2CuC(NO)2
Formula Anonymous: ABC2D2E2
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -55.71943883
Final energy per atom: -6.96492985375
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.