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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213632

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-1213632
  • 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: 28
  • Number of elements: 3
  • Element list: ['K', 'Ni', 'S']
  • Chemical System: K-Ni-S
  • Density: 3.1506021001560494
  • Atomic Density: 0.041711918629607464
  • Unit Cell Volume: 671.2709681046742
  • Molar Volume: 14.43745806438507
  • Full Formula: K8 Ni12 S8
  • Reduced Formula: K2Ni3S2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -123.62566326
  • Final energy per atom: -4.4152022592857145
  • 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.