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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210238

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-1210238
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Na', 'Pr', 'As', 'O']
  • Chemical System: As-Na-O-Pr
  • Density: 3.557288336960942
  • Atomic Density: 0.06149383457578668
  • Unit Cell Volume: 227.66510003122374
  • Molar Volume: 9.793080560910784
  • Full Formula: Na3 Pr1 As2 O8
  • Reduced Formula: Na3Pr(AsO4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -89.40566039
  • Final energy per atom: -6.386118599285714
  • 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.