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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203004

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-1203004
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 5
  • Element list: ['Li', 'Mg', 'P', 'O', 'F']
  • Chemical System: F-Li-Mg-O-P
  • Density: 2.658480537775224
  • Atomic Density: 0.09791641559007631
  • Unit Cell Volume: 714.8954501465064
  • Molar Volume: 6.1502871849511775
  • Full Formula: Li18 Mg6 P8 O32 F6
  • Reduced Formula: Li9Mg3P4O16F3
  • Formula Anonymous: A3B3C4D9E16
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -463.11254423
  • Final energy per atom: -6.615893489
  • 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.