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  1. Third-Parties
  2. MatprojStructure
  3. mp-505322

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-505322
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Cs', 'Ta', 'Cu', 'Te']
  • Chemical System: Cs-Cu-Ta-Te
  • Density: 5.904752843070441
  • Atomic Density: 0.02990228813358528
  • Unit Cell Volume: 1070.152219022284
  • Molar Volume: 20.13939780493295
  • Full Formula: Cs4 Ta4 Cu8 Te16
  • Reduced Formula: CsTa(CuTe2)2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -156.01009189
  • Final energy per atom: -4.8753153715625
  • 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.