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  1. Third-Parties
  2. MatprojStructure
  3. mp-673807

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-673807
  • 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: 34
  • Number of elements: 3
  • Element list: ['Na', 'Sm', 'Cl']
  • Chemical System: Cl-Na-Sm
  • Density: 3.956831374215804
  • Atomic Density: 0.041076259406904854
  • Unit Cell Volume: 827.7287292202818
  • Molar Volume: 14.660879171942536
  • Full Formula: Na3 Sm7 Cl24
  • Reduced Formula: Na3Sm7Cl24
  • Formula Anonymous: A3B7C24
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -169.99169372999995
  • Final energy per atom: -4.9997556979411755
  • 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.