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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199123

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-1199123
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 4
  • Element list: ['Pr', 'H', 'N', 'O']
  • Chemical System: H-N-O-Pr
  • Density: 2.1037539716548768
  • Atomic Density: 0.09744239976057284
  • Unit Cell Volume: 882.572681002437
  • Molar Volume: 6.180205716194481
  • Full Formula: Pr2 H32 N14 O38
  • Reduced Formula: PrH16N7O19
  • Formula Anonymous: AB7C16D19
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -518.88506863
  • Final energy per atom: -6.033547309651163
  • 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.