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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213052

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-1213052
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 114
  • Number of elements: 5
  • Element list: ['Na', 'Mo', 'P', 'H', 'O']
  • Chemical System: H-Mo-Na-O-P
  • Density: 2.6387325081452526
  • Atomic Density: 0.059690233980920486
  • Unit Cell Volume: 1909.8601629948243
  • Molar Volume: 10.088988362694188
  • Full Formula: Na6 Mo18 P2 H20 O68
  • Reduced Formula: Na3Mo9P(H5O17)2
  • Formula Anonymous: AB3C9D10E34
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -750.23827293
  • Final energy per atom: -6.581037481842105
  • 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.