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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209952

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-1209952
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Pr', 'Cr', 'S']
  • Chemical System: Cr-Pr-S
  • Density: 5.006183968807977
  • Atomic Density: 0.045191928577547516
  • Unit Cell Volume: 885.1138081297332
  • Molar Volume: 13.325699852942217
  • Full Formula: Pr12 Cr4 S24
  • Reduced Formula: Pr3CrS6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -275.60402564
  • Final energy per atom: -6.890100640999999
  • 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.