Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-772038

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-772038
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 71
  • Number of elements: 3
  • Element list: ['Nb', 'P', 'O']
  • Chemical System: Nb-O-P
  • Density: 4.20142947919036
  • Atomic Density: 0.07002998949334915
  • Unit Cell Volume: 1013.8513587345743
  • Molar Volume: 8.599374073263187
  • Full Formula: Nb18 P3 O50
  • Reduced Formula: Nb18P3O50
  • Formula Anonymous: A3B18C50
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -653.6371077199999
  • Final energy per atom: -9.206156446760563
  • 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.