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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210186

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-1210186
  • 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: 22
  • Number of elements: 4
  • Element list: ['Np', 'Zn', 'O', 'F']
  • Chemical System: F-Np-O-Zn
  • Density: 4.079787072742294
  • Atomic Density: 0.05819572736196812
  • Unit Cell Volume: 378.0346255174975
  • Molar Volume: 10.348080577364808
  • Full Formula: Np2 Zn2 O6 F12
  • Reduced Formula: NpZn(OF2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -128.54436135
  • Final energy per atom: -5.842925515909091
  • 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.