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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-696360
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 46
Number of elements: 5
Element list: ['Ca', 'Cu', 'Si', 'H', 'O']
Chemical System: Ca-Cu-H-O-Si
Density: 3.1457519102600817
Atomic Density: 0.08937225168525366
Unit Cell Volume: 514.7011419383311
Molar Volume: 6.73826679583776
Full Formula: Ca4 Cu4 Si6 H8 O24
Reduced Formula: Ca2Cu2Si3(HO3)4
Formula Anonymous: A2B2C3D4E12
Spacegroup Number: 11
Spacegroup Symbol: P12_1/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -306.14754162
Final energy per atom: -6.655381339565218
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.