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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212671

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-1212671
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ga', 'Cu', 'Te']
  • Chemical System: Cu-Ga-Te
  • Density: 5.501768342403203
  • Atomic Density: 0.03237031067673115
  • Unit Cell Volume: 432.4950767328799
  • Molar Volume: 18.60390164351717
  • Full Formula: Ga5 Cu1 Te8
  • Reduced Formula: Ga5CuTe8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -52.05415415
  • Final energy per atom: -3.718153867857143
  • 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.