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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247007

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-1247007
  • 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: 68
  • Number of elements: 3
  • Element list: ['Sc', 'Ge', 'N']
  • Chemical System: Ge-N-Sc
  • Density: 4.2889948036340515
  • Atomic Density: 0.07720161851794863
  • Unit Cell Volume: 880.810549123276
  • Molar Volume: 7.800536926048915
  • Full Formula: Sc20 Ge12 N36
  • Reduced Formula: Sc5(GeN3)3
  • Formula Anonymous: A3B5C9
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -547.14938717
  • Final energy per atom: -8.046314517205882
  • 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.