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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219905

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-1219905
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Pr', 'S', 'N', 'Cl']
  • Chemical System: Cl-N-Pr-S
  • Density: 5.374065844539492
  • Atomic Density: 0.044052071314444156
  • Unit Cell Volume: 544.8097963132708
  • Molar Volume: 13.670505336772692
  • Full Formula: Pr10 S4 N6 Cl4
  • Reduced Formula: Pr5S2N3Cl2
  • Formula Anonymous: A2B2C3D5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -169.90768538999998
  • Final energy per atom: -7.079486891249999
  • 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.