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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201141

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-1201141
  • 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: 232
  • Number of elements: 3
  • Element list: ['Be', 'N', 'O']
  • Chemical System: Be-N-O
  • Density: 2.062942292018024
  • Atomic Density: 0.08495534739367307
  • Unit Cell Volume: 2730.846345962654
  • Molar Volume: 7.088595297120156
  • Full Formula: Be32 N48 O152
  • Reduced Formula: Be4N6O19
  • Formula Anonymous: A4B6C19
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1587.48279943
  • Final energy per atom: -6.842598273405172
  • 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.