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  1. Third-Parties
  2. MatprojStructure
  3. mp-2323

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-2323
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Be', 'Cu']
  • Chemical System: Be-Cu
  • Density: 6.201946001251134
  • Atomic Density: 0.10294908386310031
  • Unit Cell Volume: 19.427079143895646
  • Molar Volume: 5.849630258009993
  • Full Formula: Be1 Cu1
  • Reduced Formula: BeCu
  • Formula Anonymous: AB
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -8.03910815
  • Final energy per atom: -4.019554075
  • 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.