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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200257

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-1200257
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Hf', 'H', 'O', 'F']
  • Chemical System: F-H-Hf-O
  • Density: 3.7306135716952897
  • Atomic Density: 0.1019442124416556
  • Unit Cell Volume: 549.3200512196781
  • Molar Volume: 5.907290483455912
  • Full Formula: Hf4 H24 O12 F16
  • Reduced Formula: HfH6O3F4
  • Formula Anonymous: AB3C4D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -340.16879084000004
  • Final energy per atom: -6.074442693571429
  • 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.