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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202833

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-1202833
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Pr', 'H', 'C', 'S', 'O']
  • Chemical System: C-H-O-Pr-S
  • Density: 3.3431225933522395
  • Atomic Density: 0.08724107396229823
  • Unit Cell Volume: 596.049517025342
  • Molar Volume: 6.902873252801204
  • Full Formula: Pr4 H12 C4 S4 O28
  • Reduced Formula: PrH3CSO7
  • Formula Anonymous: ABCD3E7
  • Spacegroup Number: 78
  • Spacegroup Symbol: P4_3
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -357.03449176
  • Final energy per atom: -6.866047918461538
  • 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.