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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213061

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-1213061
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Er', 'Hf', 'F']
  • Chemical System: Er-F-Hf
  • Density: 5.788210939709734
  • Atomic Density: 0.06552997792888587
  • Unit Cell Volume: 274.6834436528252
  • Molar Volume: 9.189902011771345
  • Full Formula: Er2 Hf2 F14
  • Reduced Formula: ErHfF7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -133.64454886
  • Final energy per atom: -7.424697158888888
  • 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.