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  1. Third-Parties
  2. MatprojStructure
  3. mp-1045419

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-1045419
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Y', 'Cr', 'S']
  • Chemical System: Cr-S-Y
  • Density: 3.832927051376205
  • Atomic Density: 0.050310737544717425
  • Unit Cell Volume: 278.270617431447
  • Molar Volume: 11.969891625316313
  • Full Formula: Y2 Cr4 S8
  • Reduced Formula: Y(CrS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -103.88491179
  • Final energy per atom: -7.420350842142858
  • 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.