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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196750

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-1196750
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Pr', 'Se', 'N', 'O']
  • Chemical System: N-O-Pr-Se
  • Density: 3.21174789036002
  • Atomic Density: 0.06313179773517828
  • Unit Cell Volume: 1077.1117319554653
  • Molar Volume: 9.538997741298827
  • Full Formula: Pr4 Se8 N4 O52
  • Reduced Formula: PrSe2NO13
  • Formula Anonymous: ABC2D13
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -342.15254035000004
  • Final energy per atom: -5.031655005147059
  • 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.