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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226965

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-1226965
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 5
  • Element list: ['Cd', 'Ga', 'Ag', 'Se', 'S']
  • Chemical System: Ag-Cd-Ga-S-Se
  • Density: 4.907600824512129
  • Atomic Density: 0.037861975494238795
  • Unit Cell Volume: 211.29378210118242
  • Molar Volume: 15.905511219076113
  • Full Formula: Cd2 Ga1 Ag1 Se2 S2
  • Reduced Formula: Cd2GaAg(SeS)2
  • Formula Anonymous: ABC2D2E2
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -28.64554237
  • Final energy per atom: -3.58069279625
  • 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.