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  1. Third-Parties
  2. MatprojStructure
  3. mp-738718

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-738718
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 182
  • Number of elements: 7
  • Element list: ['Na', 'P', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-H-N-Na-O-P
  • Density: 1.5516421949266206
  • Atomic Density: 0.10533187398684833
  • Unit Cell Volume: 1727.8720401644464
  • Molar Volume: 5.717301451175094
  • Full Formula: Na10 P6 H96 C8 N2 O54 F6
  • Reduced Formula: Na5P3H48C4N(O9F)3
  • Formula Anonymous: AB3C3D4E5F27G48
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -991.89508611
  • Final energy per atom: -5.449973000604396
  • 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.