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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218136

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-1218136
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ta', 'Ni', 'S']
  • Chemical System: Ni-S-Ta
  • Density: 7.185617374365983
  • Atomic Density: 0.05414280336435178
  • Unit Cell Volume: 240.1057793870966
  • Molar Volume: 11.122698467373862
  • Full Formula: Ta4 Ni1 S8
  • Reduced Formula: Ta4NiS8
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -102.63279648
  • Final energy per atom: -7.8948304984615385
  • 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.