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  1. Third-Parties
  2. MatprojStructure
  3. mp-774455

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-774455
  • 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: 84
  • Number of elements: 4
  • Element list: ['Na', 'P', 'H', 'O']
  • Chemical System: H-Na-O-P
  • Density: 2.4030838351878323
  • Atomic Density: 0.08351412748735501
  • Unit Cell Volume: 1005.8178481565117
  • Molar Volume: 7.210924595855738
  • Full Formula: Na16 P12 H12 O44
  • Reduced Formula: Na4P3H3O11
  • Formula Anonymous: A3B3C4D11
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -541.44813313
  • Final energy per atom: -6.445811108690476
  • 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.