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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211865

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-1211865
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['K', 'Mo', 'H', 'O', 'F']
  • Chemical System: F-H-K-Mo-O
  • Density: 2.567600844386807
  • Atomic Density: 0.054038834971637396
  • Unit Cell Volume: 370.1042039580816
  • Molar Volume: 11.144098060516583
  • Full Formula: K4 Mo2 H2 O2 F10
  • Reduced Formula: K2MoHOF5
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -109.1775558
  • Final energy per atom: -5.45887779
  • 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.