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  1. Third-Parties
  2. MatprojStructure
  3. mp-16645

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-16645
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Sm', 'Mg', 'Pt']
  • Chemical System: Mg-Pt-Sm
  • Density: 9.159893853097207
  • Atomic Density: 0.04475644570971633
  • Unit Cell Volume: 201.08835403000194
  • Molar Volume: 13.45535970183761
  • Full Formula: Sm3 Mg3 Pt3
  • Reduced Formula: SmMgPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -45.43611128
  • Final energy per atom: -5.048456808888889
  • 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.