Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-725430

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-725430
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'Ni', 'P', 'O']
  • Chemical System: Li-Ni-O-P-Ti
  • Density: 3.3446710703604166
  • Atomic Density: 0.08820188614364355
  • Unit Cell Volume: 351.46640684660775
  • Molar Volume: 6.827677982069999
  • Full Formula: Li2 Ti4 Ni1 P4 O20
  • Reduced Formula: Li2Ti4Ni(PO5)4
  • Formula Anonymous: AB2C4D4E20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -253.62367011
  • Final energy per atom: -8.181408713225807
  • 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.