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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-567871
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: 16
Number of elements: 2
Element list: ['Nb', 'Si']
Chemical System: Nb-Si
Density: 6.896528987792688
Atomic Density: 0.060543361826540666
Unit Cell Volume: 264.27339872273177
Molar Volume: 9.946822538949345
Full Formula: Nb10 Si6
Reduced Formula: Nb5Si3
Formula Anonymous: A3B5
Spacegroup Number: 193
Spacegroup Symbol: P6_3/mcm
Crystal System: hexagonal
Pointgroup: 6/mmm

Thermodynamics:

Final energy: -142.40745999
Final energy per atom: -8.900466249375
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.