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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220863

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-1220863
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Na', 'Be', 'Si', 'H', 'O']
  • Chemical System: Be-H-Na-O-Si
  • Density: 2.4861200059539006
  • Atomic Density: 0.0854616916118073
  • Unit Cell Volume: 655.2643522944624
  • Molar Volume: 7.046596722370503
  • Full Formula: Na4 Be4 Si12 H4 O32
  • Reduced Formula: NaBeSi3HO8
  • Formula Anonymous: ABCD3E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -421.1352933
  • Final energy per atom: -7.5202730946428575
  • 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.