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  1. Third-Parties
  2. MatprojStructure
  3. mp-28130

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-28130
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Nb', 'P', 'S']
  • Chemical System: Nb-P-S
  • Density: 2.3480174577038415
  • Atomic Density: 0.03781013004249301
  • Unit Cell Volume: 1163.7093009347095
  • Molar Volume: 15.927320940795502
  • Full Formula: Nb4 P8 S32
  • Reduced Formula: Nb(PS4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -251.13493648
  • Final energy per atom: -5.7076121927272725
  • 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.