Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-753087

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-753087
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Li', 'V', 'P', 'H', 'O']
  • Chemical System: H-Li-O-P-V
  • Density: 2.788766506061463
  • Atomic Density: 0.09410814256132571
  • Unit Cell Volume: 297.53004615677924
  • Molar Volume: 6.399170779590791
  • Full Formula: Li2 V2 P4 H4 O16
  • Reduced Formula: LiVP2(HO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -203.97172914
  • Final energy per atom: -7.284704612142858
  • 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.