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  1. Third-Parties
  2. MatprojStructure
  3. mp-559634

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-559634
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Ni', 'Bi', 'S']
  • Chemical System: Bi-Ni-S
  • Density: 8.438350944425677
  • Atomic Density: 0.054046525949973674
  • Unit Cell Volume: 129.51803796749695
  • Molar Volume: 11.142512222847015
  • Full Formula: Ni3 Bi2 S2
  • Reduced Formula: Ni3(BiS)2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -36.11675709
  • Final energy per atom: -5.159536727142857
  • 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.