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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217237

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-1217237
  • 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: 14
  • Number of elements: 5
  • Element list: ['Ti', 'Al', 'Cr', 'Cu', 'S']
  • Chemical System: Al-Cr-Cu-S-Ti
  • Density: 3.453043577653681
  • Atomic Density: 0.0557970066407927
  • Unit Cell Volume: 250.90951724576428
  • Molar Volume: 10.792945934840285
  • Full Formula: Ti2 Al2 Cr1 Cu1 S8
  • Reduced Formula: Ti2Al2CrCuS8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -88.4482843
  • Final energy per atom: -6.317734592857143
  • 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.