Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221050

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-1221050
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'Mo', 'H', 'O']
  • Chemical System: Fe-H-Mo-Na-O
  • Density: 3.6945358778840793
  • Atomic Density: 0.08180159400640773
  • Unit Cell Volume: 220.04461182736873
  • Molar Volume: 7.361886810577641
  • Full Formula: Na1 Fe2 Mo2 H3 O10
  • Reduced Formula: NaFe2Mo2H3O10
  • Formula Anonymous: AB2C2D3E10
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -131.63366200000002
  • Final energy per atom: -7.3129812222222235
  • 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.