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  1. Third-Parties
  2. MatprojStructure
  3. mp-505752

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-505752
  • 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: 15
  • Number of elements: 5
  • Element list: ['Cs', 'Mn', 'Cr', 'C', 'N']
  • Chemical System: C-Cr-Cs-Mn-N
  • Density: 2.066299495902474
  • Atomic Density: 0.047141312351117876
  • Unit Cell Volume: 318.19224480381484
  • Molar Volume: 12.774656579659677
  • Full Formula: Cs1 Mn1 Cr1 C6 N6
  • Reduced Formula: CsMnCr(CN)6
  • Formula Anonymous: ABCD6E6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -126.01240451999998
  • Final energy per atom: -8.400826967999999
  • 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.