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  1. Third-Parties
  2. MatprojStructure
  3. mp-569030

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-569030
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 2
  • Element list: ['Be', 'Cl']
  • Chemical System: Be-Cl
  • Density: 1.23591608742555
  • Atomic Density: 0.0279393016545242
  • Unit Cell Volume: 966.3806323386721
  • Molar Volume: 21.554371095115894
  • Full Formula: Be9 Cl18
  • Reduced Formula: BeCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 154
  • Spacegroup Symbol: P3_221
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -116.03004723
  • Final energy per atom: -4.297409156666666
  • 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.