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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204927

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-1204927
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Be', 'H', 'N', 'F']
  • Chemical System: Be-F-H-N
  • Density: 1.2842946357331129
  • Atomic Density: 0.11132411539844353
  • Unit Cell Volume: 610.8290172045754
  • Molar Volume: 5.4095563557329625
  • Full Formula: Be4 H40 N12 F12
  • Reduced Formula: BeH10(NF)3
  • Formula Anonymous: AB3C3D10
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -357.59290632999995
  • Final energy per atom: -5.258719210735293
  • 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.