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  1. Third-Parties
  2. MatprojStructure
  3. mp-13613

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-13613
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['K', 'Mg', 'Be', 'F']
  • Chemical System: Be-F-K-Mg
  • Density: 2.506364426028449
  • Atomic Density: 0.07510788212226924
  • Unit Cell Volume: 1011.8778196445277
  • Molar Volume: 8.017987712922682
  • Full Formula: K8 Mg8 Be12 F48
  • Reduced Formula: K2Mg2Be3F12
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -429.52864987
  • Final energy per atom: -5.651692761447368
  • 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.