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  1. Third-Parties
  2. MatprojStructure
  3. mp-675189

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-675189
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ho', 'Cu', 'Te']
  • Chemical System: Cu-Ho-Te
  • Density: 6.995847676694593
  • Atomic Density: 0.032223459271807135
  • Unit Cell Volume: 682.7324097772514
  • Molar Volume: 18.68868487769367
  • Full Formula: Ho7 Cu3 Te12
  • Reduced Formula: Ho7(CuTe4)3
  • Formula Anonymous: A3B7C12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -111.5630941
  • Final energy per atom: -5.0710497318181815
  • 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.