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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214488

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-1214488
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Ba', 'As']
  • Chemical System: As-Ba
  • Density: 5.041613659619196
  • Atomic Density: 0.027455964075188303
  • Unit Cell Volume: 509.9074270952907
  • Molar Volume: 21.93381643240913
  • Full Formula: Ba8 As6
  • Reduced Formula: Ba4As3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -58.02434521000001
  • Final energy per atom: -4.144596086428572
  • 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.