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  1. Third-Parties
  2. MatprojStructure
  3. mp-555863

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-555863
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['P', 'Pt', 'F']
  • Chemical System: F-P-Pt
  • Density: 3.0262525583432165
  • Atomic Density: 0.05664342647398327
  • Unit Cell Volume: 300.12308679469135
  • Molar Volume: 10.631667494137227
  • Full Formula: P4 Pt1 F12
  • Reduced Formula: P4PtF12
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -95.11126476
  • Final energy per atom: -5.59478028
  • 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.