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  1. Third-Parties
  2. MatprojStructure
  3. mp-15208

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-15208
  • 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: 13
  • Number of elements: 3
  • Element list: ['Nb', 'Ga', 'Se']
  • Chemical System: Ga-Nb-Se
  • Density: 6.060402255958096
  • Atomic Density: 0.044216507962228015
  • Unit Cell Volume: 294.0078400380523
  • Molar Volume: 13.619666132713188
  • Full Formula: Nb4 Ga1 Se8
  • Reduced Formula: Nb4GaSe8
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -85.62931112
  • Final energy per atom: -6.586870086153846
  • 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.