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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197133

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-1197133
  • 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: 64
  • Number of elements: 5
  • Element list: ['Li', 'Be', 'H', 'N', 'F']
  • Chemical System: Be-F-H-Li-N
  • Density: 1.866039793083737
  • Atomic Density: 0.09828747874645764
  • Unit Cell Volume: 651.151100997253
  • Molar Volume: 6.127068103491303
  • Full Formula: Li8 Be8 H16 N4 F28
  • Reduced Formula: Li2Be2H4NF7
  • Formula Anonymous: AB2C2D4E7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -348.77410513
  • Final energy per atom: -5.44959539265625
  • 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.