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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-1227631
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 8
Number of elements: 3
Element list: ['Ca', 'Cd', 'O']
Chemical System: Ca-Cd-O
Density: 4.406611364374368
Atomic Density: 0.07156688599695066
Unit Cell Volume: 111.78354190708907
Molar Volume: 8.414702800198116
Full Formula: Ca3 Cd1 O4
Reduced Formula: Ca3CdO4
Formula Anonymous: AB3C4
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -49.39618764
Final energy per atom: -6.174523455
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.