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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195273

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-1195273
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'As']
  • Chemical System: As-Ba-Ga
  • Density: 5.184707810561221
  • Atomic Density: 0.03261785473499539
  • Unit Cell Volume: 1226.3222190723773
  • Molar Volume: 18.462712550923527
  • Full Formula: Ba14 Ga8 As18
  • Reduced Formula: Ba7Ga4As9
  • Formula Anonymous: A4B7C9
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -170.72127961
  • Final energy per atom: -4.26803199025
  • 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.