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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101996

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-1101996
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ce', 'N', 'Cl']
  • Chemical System: Ce-Cl-N
  • Density: 4.611649278214649
  • Atomic Density: 0.04159584705367768
  • Unit Cell Volume: 288.4903385791016
  • Molar Volume: 14.477745223528402
  • Full Formula: Ce4 N2 Cl6
  • Reduced Formula: Ce2NCl3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -80.53456619
  • Final energy per atom: -6.7112138491666675
  • 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.