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  1. Third-Parties
  2. MatprojStructure
  3. mp-1344248

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-1344248
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Ca', 'Cr', 'P', 'O']
  • Chemical System: Ca-Cr-O-P
  • Density: 3.0418684375654412
  • Atomic Density: 0.07819583357558388
  • Unit Cell Volume: 268.5565079333985
  • Molar Volume: 7.701357584709441
  • Full Formula: Ca1 Cr2 P4 O14
  • Reduced Formula: CaCr2(P2O7)2
  • Formula Anonymous: AB2C4D14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -168.49031205
  • Final energy per atom: -8.023348192857142
  • 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.