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  1. Third-Parties
  2. MatprojStructure
  3. mp-24199

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-24199
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'H', 'F']
  • Chemical System: F-H-Li
  • Density: 2.1562411515669577
  • Atomic Density: 0.1130480076974274
  • Unit Cell Volume: 35.38319764737461
  • Molar Volume: 5.327064919284769
  • Full Formula: Li1 H1 F2
  • Reduced Formula: LiHF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -19.2869744
  • Final energy per atom: -4.8217436
  • 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.