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  1. Third-Parties
  2. MatprojStructure
  3. mp-1206650

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-1206650
  • 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: 4
  • Number of elements: 3
  • Element list: ['Er', 'Cu', 'Te']
  • Chemical System: Cu-Er-Te
  • Density: 7.8401400062925575
  • Atomic Density: 0.03885921067669457
  • Unit Cell Volume: 102.9356986501777
  • Molar Volume: 15.497331662507802
  • Full Formula: Er1 Cu1 Te2
  • Reduced Formula: ErCuTe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -18.97252497
  • Final energy per atom: -4.7431312425
  • 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.