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  1. Third-Parties
  2. MatprojStructure
  3. mp-686572

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-686572
  • 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: 84
  • Number of elements: 5
  • Element list: ['Na', 'Pr', 'Si', 'S', 'O']
  • Chemical System: Na-O-Pr-S-Si
  • Density: 5.294070170444513
  • Atomic Density: 0.07018752871596026
  • Unit Cell Volume: 1196.7938113327368
  • Molar Volume: 8.580072372074552
  • Full Formula: Na2 Pr18 Si12 S4 O48
  • Reduced Formula: NaPr9Si6(SO12)2
  • Formula Anonymous: AB2C6D9E24
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -702.57872636
  • Final energy per atom: -8.364032456666667
  • 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.