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  1. Third-Parties
  2. MatprojStructure
  3. mp-683957

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-683957
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Nd', 'Cu', 'Te', 'Cl', 'O']
  • Chemical System: Cl-Cu-Nd-O-Te
  • Density: 5.514993215984811
  • Atomic Density: 0.057231733398015086
  • Unit Cell Volume: 978.4781392265536
  • Molar Volume: 10.522380508937827
  • Full Formula: Nd8 Cu2 Te10 Cl6 O30
  • Reduced Formula: Nd4CuTe5(ClO5)3
  • Formula Anonymous: AB3C4D5E15
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -370.66484586
  • Final energy per atom: -6.619015104642857
  • 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.