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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210611

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-1210611
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Na', 'Mo', 'H', 'O']
  • Chemical System: H-Mo-Na-O
  • Density: 2.165693851760581
  • Atomic Density: 0.056450399180836476
  • Unit Cell Volume: 1275.4559940196532
  • Molar Volume: 10.668021568294543
  • Full Formula: Na16 Mo8 H16 O32
  • Reduced Formula: Na2Mo(HO2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -398.55223265
  • Final energy per atom: -5.535447675694445
  • 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.