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  1. Third-Parties
  2. MatprojStructure
  3. mp-768250

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-768250
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Li', 'Pr', 'P', 'C', 'O']
  • Chemical System: C-Li-O-P-Pr
  • Density: 3.035415338953053
  • Atomic Density: 0.06639943377272715
  • Unit Cell Volume: 331.3281266117703
  • Molar Volume: 9.069566437287193
  • Full Formula: Li2 Pr2 P2 C2 O14
  • Reduced Formula: LiPrPCO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -169.44409917
  • Final energy per atom: -7.702004507727272
  • 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.