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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211231

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-1211231
  • 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: 160
  • Number of elements: 5
  • Element list: ['Na', 'Be', 'B', 'P', 'O']
  • Chemical System: B-Be-Na-O-P
  • Density: 2.39153285121769
  • Atomic Density: 0.08065420378809912
  • Unit Cell Volume: 1983.7775650276606
  • Molar Volume: 7.466617333204141
  • Full Formula: Na12 Be12 B12 P24 O100
  • Reduced Formula: Na3Be3B3P6O25
  • Formula Anonymous: A3B3C3D6E25
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -1192.91246742
  • Final energy per atom: -7.455702921375
  • 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.