Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1177236

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-1177236
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Li', 'V', 'Ni', 'P', 'O']
  • Chemical System: Li-Ni-O-P-V
  • Density: 3.411830030808101
  • Atomic Density: 0.09291552300187102
  • Unit Cell Volume: 301.34900063400784
  • Molar Volume: 6.481307498940444
  • Full Formula: Li4 V3 Ni1 P4 O16
  • Reduced Formula: Li4V3Ni(PO4)4
  • Formula Anonymous: AB3C4D4E16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -213.34753799
  • Final energy per atom: -7.619554928214286
  • 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.