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  1. Third-Parties
  2. MatprojStructure
  3. mp-505824

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-505824
  • 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: 5
  • Number of elements: 3
  • Element list: ['Cs', 'Pd', 'C']
  • Chemical System: C-Cs-Pd
  • Density: 4.34104572985297
  • Atomic Density: 0.032987049146597
  • Unit Cell Volume: 151.57463699707156
  • Molar Volume: 18.25607599284537
  • Full Formula: Cs2 Pd1 C2
  • Reduced Formula: Cs2PdC2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -25.20149705
  • Final energy per atom: -5.04029941
  • 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.