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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220273

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-1220273
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 3
  • Element list: ['Nd', 'Ge', 'Se']
  • Chemical System: Ge-Nd-Se
  • Density: 6.0041791977846914
  • Atomic Density: 0.03799477902468695
  • Unit Cell Volume: 605.3463289010273
  • Molar Volume: 15.849916526918445
  • Full Formula: Nd6 Ge3 Se14
  • Reduced Formula: Nd6Ge3Se14
  • Formula Anonymous: A3B6C14
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -128.61110366
  • Final energy per atom: -5.591787115652174
  • 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.