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  1. Third-Parties
  2. MatprojStructure
  3. mp-759682

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-759682
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Li', 'Co', 'P', 'O', 'F']
  • Chemical System: Co-F-Li-O-P
  • Density: 3.2041543539253547
  • Atomic Density: 0.08947187386888723
  • Unit Cell Volume: 760.0153775660016
  • Molar Volume: 6.730764093333835
  • Full Formula: Li12 Co8 P8 O32 F8
  • Reduced Formula: Li3Co2P2(O4F)2
  • Formula Anonymous: A2B2C2D3E8
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -460.87630706
  • Final energy per atom: -6.777592750882353
  • 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.