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  1. Third-Parties
  2. MatprojStructure
  3. mp-759310

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-759310
  • 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: 34
  • Number of elements: 5
  • Element list: ['Li', 'Cr', 'P', 'O', 'F']
  • Chemical System: Cr-F-Li-O-P
  • Density: 3.096566768474281
  • Atomic Density: 0.08986848622622792
  • Unit Cell Volume: 378.3306187489467
  • Molar Volume: 6.701059529188388
  • Full Formula: Li6 Cr4 P4 O16 F4
  • Reduced Formula: Li3Cr2P2(O4F)2
  • Formula Anonymous: A2B2C2D3E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -250.85998854
  • Final energy per atom: -7.378234957058823
  • 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.