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  1. Third-Parties
  2. MatprojStructure
  3. mp-551760

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-551760
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 5
  • Element list: ['Co', 'Sn', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-Co-O-Sn
  • Density: 2.1039855344641447
  • Atomic Density: 0.04159059245862995
  • Unit Cell Volume: 312.5706856167309
  • Molar Volume: 14.479574355643544
  • Full Formula: Co1 Sn1 C4 Cl3 O4
  • Reduced Formula: CoSnC4Cl3O4
  • Formula Anonymous: ABC3D4E4
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -86.61103397
  • Final energy per atom: -6.662387228461538
  • 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.