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  1. Third-Parties
  2. MatprojStructure
  3. mp-1845

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-1845
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 2
  • Element list: ['Ca', 'Be']
  • Chemical System: Be-Ca
  • Density: 1.947352099682553
  • Atomic Density: 0.10441681055304722
  • Unit Cell Volume: 268.1560550614124
  • Molar Volume: 5.767405390093343
  • Full Formula: Ca2 Be26
  • Reduced Formula: CaBe13
  • Formula Anonymous: AB13
  • Spacegroup Number: 226
  • Spacegroup Symbol: Fm-3c
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -103.97927193
  • Final energy per atom: -3.7135454260714282
  • 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.