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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191491

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-1191491
  • 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: 24
  • Number of elements: 3
  • Element list: ['La', 'Ni', 'S']
  • Chemical System: La-Ni-S
  • Density: 4.6137596767618305
  • Atomic Density: 0.039750636204049075
  • Unit Cell Volume: 603.7639215836076
  • Molar Volume: 15.149797173275363
  • Full Formula: La8 Ni2 S14
  • Reduced Formula: La4NiS7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -157.64557366
  • Final energy per atom: -6.568565569166666
  • 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.