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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173830

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-1173830
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Na', 'Ga', 'As']
  • Chemical System: As-Ga-Na
  • Density: 2.9199136691686998
  • Atomic Density: 0.04066386902198667
  • Unit Cell Volume: 983.6742287944189
  • Molar Volume: 14.80956166946109
  • Full Formula: Na24 Ga4 As12
  • Reduced Formula: Na6GaAs3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -116.32637718
  • Final energy per atom: -2.9081594295
  • 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.