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  1. Third-Parties
  2. MatprojStructure
  3. mp-27810

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-27810
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ba', 'Ge', 'As']
  • Chemical System: As-Ba-Ge
  • Density: 5.175357459083671
  • Atomic Density: 0.036035052258836235
  • Unit Cell Volume: 555.0151518122401
  • Molar Volume: 16.711896840730397
  • Full Formula: Ba4 Ge8 As8
  • Reduced Formula: Ba(GeAs)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 105
  • Spacegroup Symbol: P4_2mc
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -91.96619285
  • Final energy per atom: -4.5983096425
  • 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.