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  1. Third-Parties
  2. MatprojStructure
  3. mp-29063

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-29063
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Th', 'Zr', 'F']
  • Chemical System: F-Th-Zr
  • Density: 5.363047274466438
  • Atomic Density: 0.0679580729085317
  • Unit Cell Volume: 1177.1964179690049
  • Molar Volume: 8.861553163971426
  • Full Formula: Th8 Zr8 F64
  • Reduced Formula: ThZrF8
  • Formula Anonymous: ABC8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -590.97321588
  • Final energy per atom: -7.3871651985
  • 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.