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  1. Third-Parties
  2. MatprojStructure
  3. mp-8129

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-8129
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Ni', 'C', 'S', 'N']
  • Chemical System: C-N-Ni-S
  • Density: 2.3972209690695645
  • Atomic Density: 0.057792436840163094
  • Unit Cell Volume: 121.12311545816875
  • Molar Volume: 10.420292151126059
  • Full Formula: Ni1 C2 S2 N2
  • Reduced Formula: NiC2(SN)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -49.3860484
  • Final energy per atom: -7.055149771428572
  • 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.