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  1. Third-Parties
  2. MatprojStructure
  3. mp-18542

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-18542
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Nd', 'Si', 'Te', 'O']
  • Chemical System: Nd-O-Si-Te
  • Density: 6.463982239438561
  • Atomic Density: 0.06128222142597013
  • Unit Cell Volume: 522.1742824492172
  • Molar Volume: 9.8268969692537
  • Full Formula: Nd8 Si4 Te4 O16
  • Reduced Formula: Nd2SiTeO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -256.31771972
  • Final energy per atom: -8.00992874125
  • 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.