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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190435

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-1190435
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 5
  • Element list: ['Nd', 'Cu', 'Te', 'S', 'O']
  • Chemical System: Cu-Nd-O-S-Te
  • Density: 4.848058045549654
  • Atomic Density: 0.0684769477637431
  • Unit Cell Volume: 306.67254727026534
  • Molar Volume: 8.794405937568056
  • Full Formula: Nd2 Cu1 Te2 S2 O14
  • Reduced Formula: Nd2CuTe2(SO7)2
  • Formula Anonymous: AB2C2D2E14
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -145.10787112
  • Final energy per atom: -6.9098986247619045
  • 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.