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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216109

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-1216109
  • 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: 32
  • Number of elements: 4
  • Element list: ['Zr', 'Nb', 'Cr', 'F']
  • Chemical System: Cr-F-Nb-Zr
  • Density: 2.9517060650156974
  • Atomic Density: 0.055197026856046126
  • Unit Cell Volume: 579.7413705534542
  • Molar Volume: 10.910262930838188
  • Full Formula: Zr3 Nb1 Cr4 F24
  • Reduced Formula: Zr3NbCr4F24
  • Formula Anonymous: AB3C4D24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -231.1297386
  • Final energy per atom: -7.22280433125
  • 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.