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  1. Third-Parties
  2. MatprojStructure
  3. mp-556318

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-556318
  • 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: 60
  • Number of elements: 4
  • Element list: ['Cr', 'Si', 'Cl', 'O']
  • Chemical System: Cl-Cr-O-Si
  • Density: 3.308679091836903
  • Atomic Density: 0.06685497256591516
  • Unit Cell Volume: 897.4650306055162
  • Molar Volume: 9.007767902473544
  • Full Formula: Cr16 Si8 Cl8 O28
  • Reduced Formula: Cr4Si2Cl2O7
  • Formula Anonymous: A2B2C4D7
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -496.03139169
  • Final energy per atom: -8.2671898615
  • 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.