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  1. Third-Parties
  2. MatprojStructure
  3. mp-562548

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-562548
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Co', 'B', 'C', 'O', 'F']
  • Chemical System: B-C-Co-F-O
  • Density: 1.900530826627955
  • Atomic Density: 0.0656550012732241
  • Unit Cell Volume: 1523.1132139324582
  • Molar Volume: 9.172402167717257
  • Full Formula: Co4 B4 C32 O20 F40
  • Reduced Formula: CoBC8(OF2)5
  • Formula Anonymous: ABC5D8E10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -672.9411340500001
  • Final energy per atom: -6.7294113405000004
  • 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.