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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203444

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-1203444
  • 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: 208
  • Number of elements: 4
  • Element list: ['K', 'Bi', 'P', 'S']
  • Chemical System: Bi-K-P-S
  • Density: 2.99807594645207
  • Atomic Density: 0.033987512711099795
  • Unit Cell Volume: 6119.894732163511
  • Molar Volume: 17.718686304553447
  • Full Formula: K24 Bi24 P32 S128
  • Reduced Formula: K3Bi3(PS4)4
  • Formula Anonymous: A3B3C4D16
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -996.48993524
  • Final energy per atom: -4.7908169963461535
  • 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.