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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104008

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-1104008
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Nd', 'Ga']
  • Chemical System: Ga-Nd
  • Density: 6.586895133208308
  • Atomic Density: 0.0493566191014136
  • Unit Cell Volume: 283.64989853202957
  • Molar Volume: 12.201282967997141
  • Full Formula: Nd2 Ga12
  • Reduced Formula: NdGa6
  • Formula Anonymous: AB6
  • Spacegroup Number: 125
  • Spacegroup Symbol: P4/nbm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -50.68275261
  • Final energy per atom: -3.6201966150000002
  • 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.