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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210046

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-1210046
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Pr', 'S', 'Cl']
  • Chemical System: Cl-Pr-S
  • Density: 4.121225971205022
  • Atomic Density: 0.03572295863432519
  • Unit Cell Volume: 2015.5105498685436
  • Molar Volume: 16.857900325796347
  • Full Formula: Pr24 S24 Cl24
  • Reduced Formula: PrSCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -438.98706743
  • Final energy per atom: -6.097042603194445
  • 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.