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  1. Third-Parties
  2. MatprojStructure
  3. mp-560409

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-560409
  • 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: 136
  • Number of elements: 4
  • Element list: ['P', 'S', 'N', 'F']
  • Chemical System: F-N-P-S
  • Density: 1.9696897425212831
  • Atomic Density: 0.054774019175701655
  • Unit Cell Volume: 2482.9289879887265
  • Molar Volume: 10.994520487317986
  • Full Formula: P24 S24 N48 F40
  • Reduced Formula: P3S3N6F5
  • Formula Anonymous: A3B3C5D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -860.1500473800002
  • Final energy per atom: -6.32463270132353
  • 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.