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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104318

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-1104318
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Ni', 'Sn', 'Cl', 'O']
  • Chemical System: Cl-Ni-O-Sn
  • Density: 2.8315761348583677
  • Atomic Density: 0.04910951643353395
  • Unit Cell Volume: 285.07712998860313
  • Molar Volume: 12.262675744629895
  • Full Formula: Ni1 Sn1 Cl6 O6
  • Reduced Formula: NiSn(ClO)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -48.38102565
  • Final energy per atom: -3.455787546428571
  • 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.