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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238877

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-1238877
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ti', 'Cr', 'Ag', 'S']
  • Chemical System: Ag-Cr-S-Ti
  • Density: 4.4299522955711605
  • Atomic Density: 0.05558018140726784
  • Unit Cell Volume: 503.77669325740334
  • Molar Volume: 10.83505056572652
  • Full Formula: Ti4 Cr4 Ag4 S16
  • Reduced Formula: TiCrAgS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -176.21127218
  • Final energy per atom: -6.293259720714286
  • 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.