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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201008

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-1201008
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Cs', 'K', 'Cr', 'C', 'N']
  • Chemical System: C-Cr-Cs-K-N
  • Density: 2.2584951661549524
  • Atomic Density: 0.0424193950338759
  • Unit Cell Volume: 754.3719087564774
  • Molar Volume: 14.196668187254325
  • Full Formula: Cs4 K2 Cr2 C12 N12
  • Reduced Formula: Cs2KCr(CN)6
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -244.99614567
  • Final energy per atom: -7.6561295521875
  • 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.