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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079321

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-1079321
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Er', 'Ag', 'S']
  • Chemical System: Ag-Er-S
  • Density: 6.4501456830568555
  • Atomic Density: 0.04579850949580234
  • Unit Cell Volume: 174.67817376749434
  • Molar Volume: 13.14920687659488
  • Full Formula: Er2 Ag2 S4
  • Reduced Formula: ErAgS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -43.77304949
  • Final energy per atom: -5.47163118625
  • 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.