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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229314

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-1229314
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['Cu', 'Ag', 'Hg', 'As', 'S']
  • Chemical System: Ag-As-Cu-Hg-S
  • Density: 5.523672412815071
  • Atomic Density: 0.044802432721654364
  • Unit Cell Volume: 3214.1111821903473
  • Molar Volume: 13.441548581555747
  • Full Formula: Cu1 Ag64 Hg3 As16 S60
  • Reduced Formula: CuAg64Hg3(As4S15)4
  • Formula Anonymous: AB3C16D60E64
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -552.21430172
  • Final energy per atom: -3.8348215397222223
  • 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.