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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105564

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-1105564
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ni', 'Bi', 'S', 'I']
  • Chemical System: Bi-I-Ni-S
  • Density: 9.35267661705245
  • Atomic Density: 0.04407207954040956
  • Unit Cell Volume: 408.42184411779016
  • Molar Volume: 13.66429908186728
  • Full Formula: Ni8 Bi8 S1 I1
  • Reduced Formula: Ni8Bi8SI
  • Formula Anonymous: ABC8D8
  • Spacegroup Number: 75
  • Spacegroup Symbol: P4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -86.49059419000001
  • Final energy per atom: -4.805033010555556
  • 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.