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  1. Third-Parties
  2. MatprojStructure
  3. mp-759279

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-759279
  • 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: 45
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'B', 'O']
  • Chemical System: B-Cr-Li-O
  • Density: 2.6350864265618217
  • Atomic Density: 0.09637909836531919
  • Unit Cell Volume: 466.90621476277147
  • Molar Volume: 6.248388771155999
  • Full Formula: Li9 Cr4 B8 O24
  • Reduced Formula: Li9Cr4(BO3)8
  • Formula Anonymous: A4B8C9D24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -341.05951358
  • Final energy per atom: -7.579100301777777
  • 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.