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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246292

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-1246292
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['Cu', 'As']
  • Chemical System: As-Cu
  • Density: 8.35364891517072
  • Atomic Density: 0.0764296469646283
  • Unit Cell Volume: 261.6785605362801
  • Molar Volume: 7.879325627118297
  • Full Formula: Cu16 As4
  • Reduced Formula: Cu4As
  • Formula Anonymous: AB4
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -82.35518490000001
  • Final energy per atom: -4.117759245
  • 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.