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  1. Third-Parties
  2. MatprojStructure
  3. mp-1095730

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-1095730
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Tl', 'Cd', 'In']
  • Chemical System: Cd-In-Tl
  • Density: 0.7901457779772807
  • Atomic Density: 0.0029927056712614262
  • Unit Cell Volume: 1336.583158982687
  • Molar Volume: 201.22729802098
  • Full Formula: Tl2 Cd1 In1
  • Reduced Formula: Tl2CdIn
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -4.63551041
  • Final energy per atom: -1.1588776025
  • 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.