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  1. Third-Parties
  2. MatprojStructure
  3. mp-648932

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-648932
  • 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: 52
  • Number of elements: 3
  • Element list: ['Nb', 'P', 'S']
  • Chemical System: Nb-P-S
  • Density: 2.6034668734380815
  • Atomic Density: 0.03792443635908536
  • Unit Cell Volume: 1371.1476027656936
  • Molar Volume: 15.879315128060716
  • Full Formula: Nb8 P4 S40
  • Reduced Formula: Nb2PS10
  • Formula Anonymous: AB2C10
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -318.14621475
  • Final energy per atom: -6.1181964375
  • 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.