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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182750

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-1182750
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Cr', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-Cr-N
  • Density: 1.5478740438924874
  • Atomic Density: 0.03549654131152718
  • Unit Cell Volume: 1633.9620102977478
  • Molar Volume: 16.965429693975185
  • Full Formula: Cr6 C16 N12 Cl24
  • Reduced Formula: Cr3C8(NCl2)6
  • Formula Anonymous: A3B6C8D12
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -327.63919027
  • Final energy per atom: -5.64895155637931
  • 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.