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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214690

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-1214690
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 5
  • Element list: ['Be', 'B', 'P', 'N', 'O']
  • Chemical System: B-Be-N-O-P
  • Density: 2.200875723351288
  • Atomic Density: 0.07713459263794302
  • Unit Cell Volume: 2074.2962985623512
  • Molar Volume: 7.807315179930916
  • Full Formula: Be12 B12 P24 N12 O100
  • Reduced Formula: Be3B3P6N3O25
  • Formula Anonymous: A3B3C3D6E25
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -1156.71280887
  • Final energy per atom: -7.2294550554375
  • 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.