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  1. Third-Parties
  2. MatprojStructure
  3. mp-1239168

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-1239168
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ta', 'Cr', 'Ag', 'S']
  • Chemical System: Ag-Cr-S-Ta
  • Density: 5.303170672610806
  • Atomic Density: 0.0552538635316253
  • Unit Cell Volume: 506.75189408200964
  • Molar Volume: 10.899040130565977
  • Full Formula: Ta2 Cr6 Ag4 S16
  • Reduced Formula: TaCr3(AgS4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -181.93215406
  • Final energy per atom: -6.497576930714286
  • 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.