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  1. Third-Parties
  2. MatprojStructure
  3. mp-687090

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-687090
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 3
  • Element list: ['Hf', 'Mo', 'O']
  • Chemical System: Hf-Mo-O
  • Density: 4.536277356863329
  • Atomic Density: 0.06029696868232272
  • Unit Cell Volume: 1094.582388506526
  • Molar Volume: 9.98746851061107
  • Full Formula: Hf6 Mo12 O48
  • Reduced Formula: Hf(MoO4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -593.69892353
  • Final energy per atom: -8.99543823530303
  • 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.