Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-17570

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-17570
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 4
  • Element list: ['Cr', 'Cu', 'P', 'O']
  • Chemical System: Cr-Cu-O-P
  • Density: 3.885238738634964
  • Atomic Density: 0.08939081089199458
  • Unit Cell Volume: 413.912790708486
  • Molar Volume: 6.736867805434927
  • Full Formula: Cr4 Cu3 P6 O24
  • Reduced Formula: Cr4Cu3(PO4)6
  • Formula Anonymous: A3B4C6D24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -288.13130071
  • Final energy per atom: -7.787332451621622
  • 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.