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  1. Third-Parties
  2. MatprojStructure
  3. mp-759221

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-759221
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-Li-O-P
  • Density: 2.4609139317907065
  • Atomic Density: 0.09302069474205191
  • Unit Cell Volume: 881.5242697056553
  • Molar Volume: 6.473979555516658
  • Full Formula: Li6 Fe8 P6 H24 O38
  • Reduced Formula: Li3Fe4P3H12O19
  • Formula Anonymous: A3B3C4D12E19
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -529.7973037300001
  • Final energy per atom: -6.460942728414635
  • 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.