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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218971

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-1218971
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Sm', 'Th', 'N']
  • Chemical System: N-Sm-Th
  • Density: 10.083324401061578
  • Atomic Density: 0.05918275176128869
  • Unit Cell Volume: 67.58725947948219
  • Molar Volume: 10.175499754202152
  • Full Formula: Sm1 Th1 N2
  • Reduced Formula: SmThN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -35.747508260000004
  • Final energy per atom: -8.936877065000001
  • 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.