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  1. Third-Parties
  2. MatprojStructure
  3. mp-706342

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-706342
  • 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: 182
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'V', 'P', 'O']
  • Chemical System: Ca-Na-O-P-V
  • Density: 3.041059396215462
  • Atomic Density: 0.07719821904540124
  • Unit Cell Volume: 2357.5673409377946
  • Molar Volume: 7.80088042764083
  • Full Formula: Na4 Ca34 V4 P28 O112
  • Reduced Formula: Na2Ca17V2(PO4)14
  • Formula Anonymous: A2B2C14D17E56
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1400.42340114
  • Final energy per atom: -7.694634072197801
  • 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.