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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233631

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-1233631
  • 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: 21
  • Number of elements: 5
  • Element list: ['Ca', 'V', 'Fe', 'P', 'O']
  • Chemical System: Ca-Fe-O-P-V
  • Density: 2.986300041720347
  • Atomic Density: 0.07633379021285704
  • Unit Cell Volume: 275.1075236987634
  • Molar Volume: 7.889220151661852
  • Full Formula: Ca1 V1 Fe1 P4 O14
  • Reduced Formula: CaVFe(P2O7)2
  • Formula Anonymous: ABCD4E14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -167.34681416
  • Final energy per atom: -7.968895912380953
  • 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.