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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201834

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-1201834
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 6
  • Element list: ['Co', 'B', 'H', 'N', 'Cl', 'F']
  • Chemical System: B-Cl-Co-F-H-N
  • Density: 1.745353283297416
  • Atomic Density: 0.10549435807425539
  • Unit Cell Volume: 1213.3350288733293
  • Molar Volume: 5.708495572588948
  • Full Formula: Co4 B4 H72 N24 Cl8 F16
  • Reduced Formula: CoBH18N6(ClF2)2
  • Formula Anonymous: ABC2D4E6F18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -675.7885618399999
  • Final energy per atom: -5.2795981393749996
  • 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.