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  1. Third-Parties
  2. MatprojStructure
  3. mp-619791

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-619791
  • 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: 3
  • Element list: ['La', 'C', 'Cl']
  • Chemical System: C-Cl-La
  • Density: 4.303678039097355
  • Atomic Density: 0.039964089088762936
  • Unit Cell Volume: 800.7188636009154
  • Molar Volume: 15.068880330599853
  • Full Formula: La10 C4 Cl18
  • Reduced Formula: La5C2Cl9
  • Formula Anonymous: A2B5C9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -193.18253006
  • Final energy per atom: -6.036954064375
  • 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.