Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1238871

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-1238871
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ti', 'Cr', 'Ag', 'S']
  • Chemical System: Ag-Cr-S-Ti
  • Density: 4.093839144467002
  • Atomic Density: 0.051363154074848455
  • Unit Cell Volume: 272.5689310200584
  • Molar Volume: 11.724631924325157
  • Full Formula: Ti2 Cr2 Ag2 S8
  • Reduced Formula: TiCrAgS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -87.29766265
  • Final energy per atom: -6.235547332142858
  • 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.