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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-1195132
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 228
Number of elements: 6
Element list: ['Si', 'Mo', 'H', 'C', 'N', 'O']
Chemical System: C-H-Mo-N-O-Si
Density: 0.9782572794635165
Atomic Density: 0.07483669645086466
Unit Cell Volume: 3046.6336812408254
Molar Volume: 8.047042487977729
Full Formula: Si16 Mo4 H144 C48 N8 O8
Reduced Formula: Si4MoH36C12(NO)2
Formula Anonymous: AB2C2D4E12F36
Spacegroup Number: 62
Spacegroup Symbol: Pnma
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -1243.7910055
Final energy per atom: -5.4552237083333335
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.