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  1. Third-Parties
  2. MatprojStructure
  3. mp-9077

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-9077
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Nd', 'Be', 'Si', 'O']
  • Chemical System: Be-Nd-O-Si
  • Density: 5.348088070728161
  • Atomic Density: 0.0865410243885945
  • Unit Cell Volume: 277.3251203063299
  • Molar Volume: 6.95871212820272
  • Full Formula: Nd4 Be4 Si2 O14
  • Reduced Formula: Nd2Be2SiO7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -198.72275906
  • Final energy per atom: -8.280114960833332
  • 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.