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  1. Third-Parties
  2. MatprojStructure
  3. mp-1445851

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-1445851
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Mg', 'Cr', 'F']
  • Chemical System: Cr-F-Mg
  • Density: 2.862588052392833
  • Atomic Density: 0.07257916432112571
  • Unit Cell Volume: 206.67088330795139
  • Molar Volume: 8.297341001826783
  • Full Formula: Mg1 Cr2 F12
  • Reduced Formula: MgCr2F12
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -65.53337807
  • Final energy per atom: -4.368891871333333
  • 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.