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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221862

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-1221862
  • 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: 116
  • Number of elements: 5
  • Element list: ['Na', 'As', 'P', 'H', 'O']
  • Chemical System: As-H-Na-O-P
  • Density: 1.7706327606276002
  • Atomic Density: 0.10661539475358997
  • Unit Cell Volume: 1088.0229845614676
  • Molar Volume: 5.648472037193504
  • Full Formula: Na8 As2 P2 H60 O44
  • Reduced Formula: Na4AsP(H15O11)2
  • Formula Anonymous: ABC4D22E30
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -625.63618217
  • Final energy per atom: -5.393415363534483
  • 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.