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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214992

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-1214992
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Ag', 'W', 'C', 'Cl']
  • Chemical System: Ag-C-Cl-W
  • Density: 4.85185612086694
  • Atomic Density: 0.04081960322176877
  • Unit Cell Volume: 1273.897732848829
  • Molar Volume: 14.75306050203947
  • Full Formula: Ag2 W12 C2 Cl36
  • Reduced Formula: AgW6CCl18
  • Formula Anonymous: ABC6D18
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -308.28347316
  • Final energy per atom: -5.928528330000001
  • 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.