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  1. Third-Parties
  2. MatprojStructure
  3. mp-1188470

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-1188470
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Nd', 'Ge', 'C']
  • Chemical System: C-Ge-Nd
  • Density: 6.889547797530601
  • Atomic Density: 0.03925901179650259
  • Unit Cell Volume: 458.4934560579933
  • Molar Volume: 15.339511832889503
  • Full Formula: Nd10 Ge6 C2
  • Reduced Formula: Nd5Ge3C
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -104.61155477
  • Final energy per atom: -5.811753042777777
  • 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.