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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147708

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-1147708
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['P', 'S']
  • Chemical System: P-S
  • Density: 0.4074932780765339
  • Atomic Density: 0.0077587666432425
  • Unit Cell Volume: 1288.8646430305391
  • Molar Volume: 77.61724300917061
  • Full Formula: P4 S6
  • Reduced Formula: P2S3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -50.95245459
  • Final energy per atom: -5.095245459
  • 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.