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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212120

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-1212120
  • 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: 88
  • Number of elements: 5
  • Element list: ['Pr', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-N-O-Pr
  • Density: 2.341136817952223
  • Atomic Density: 0.08523625297410077
  • Unit Cell Volume: 1032.424548586609
  • Molar Volume: 7.06523404053184
  • Full Formula: Pr4 H40 N4 Cl8 O32
  • Reduced Formula: PrH10N(ClO4)2
  • Formula Anonymous: ABC2D8E10
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -492.87974855
  • Final energy per atom: -5.6009062335227275
  • 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.