Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1334592

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-1334592
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Ca', 'Cr', 'P', 'O']
  • Chemical System: Ca-Cr-O-P
  • Density: 2.9090966631191715
  • Atomic Density: 0.07430315727139805
  • Unit Cell Volume: 1184.3372910598289
  • Molar Volume: 8.104824856908385
  • Full Formula: Ca16 Cr2 P14 O56
  • Reduced Formula: Ca8Cr(PO4)7
  • Formula Anonymous: AB7C8D28
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -677.1637755200001
  • Final energy per atom: -7.695042903636364
  • 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.