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  1. Third-Parties
  2. MatprojStructure
  3. mp-686372

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-686372
  • 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: 160
  • Number of elements: 3
  • Element list: ['Na', 'Pd', 'F']
  • Chemical System: F-Na-Pd
  • Density: 4.0571146375871
  • Atomic Density: 0.06742214236474744
  • Unit Cell Volume: 2373.107622929201
  • Molar Volume: 8.931992589942908
  • Full Formula: Na34 Pd30 F96
  • Reduced Formula: Na17Pd15F48
  • Formula Anonymous: A15B17C48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -725.7551649699999
  • Final energy per atom: -4.5359697810625
  • 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.