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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221381

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-1221381
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['Na', 'Th', 'Zn', 'F']
  • Chemical System: F-Na-Th-Zn
  • Density: 5.834952444934592
  • Atomic Density: 0.0659628148253759
  • Unit Cell Volume: 1182.4844074118164
  • Molar Volume: 9.129599420434804
  • Full Formula: Na6 Th12 Zn2 F58
  • Reduced Formula: Na3Th6ZnF29
  • Formula Anonymous: AB3C6D29
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -531.6812154400001
  • Final energy per atom: -6.81642583897436
  • 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.