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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207624

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-1207624
  • 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: 18
  • Number of elements: 3
  • Element list: ['Y', 'Zr', 'F']
  • Chemical System: F-Y-Zr
  • Density: 3.611454686876891
  • Atomic Density: 0.06251246366815273
  • Unit Cell Volume: 287.94257886799915
  • Molar Volume: 9.633504115224957
  • Full Formula: Y2 Zr2 F14
  • Reduced Formula: YZrF7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -132.71143611
  • Final energy per atom: -7.372857561666667
  • 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.