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  1. Third-Parties
  2. MatprojStructure
  3. mp-561543

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-561543
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 2
  • Element list: ['Be', 'F']
  • Chemical System: Be-F
  • Density: 1.4929974448624364
  • Atomic Density: 0.05737864869937752
  • Unit Cell Volume: 313.70554044078204
  • Molar Volume: 10.495438454034788
  • Full Formula: Be6 F12
  • Reduced Formula: BeF2
  • Formula Anonymous: AB2
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -109.32206293
  • Final energy per atom: -6.073447940555556
  • 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.