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  1. Third-Parties
  2. MatprojStructure
  3. mp-570502

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-570502
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Cs', 'Li', 'Cr', 'C', 'N']
  • Chemical System: C-Cr-Cs-Li-N
  • Density: 2.497040294201137
  • Atomic Density: 0.05003623738654653
  • Unit Cell Volume: 639.5364973746804
  • Molar Volume: 12.03555877608655
  • Full Formula: Cs4 Li2 Cr2 C12 N12
  • Reduced Formula: Cs2LiCr(CN)6
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -246.34182332
  • Final energy per atom: -7.69818197875
  • 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.