HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=98",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=96",
"results": [
{
"id": "mp-30863",
"created_at": "2022-09-04T14:41:15.395502Z",
"structure_string": "Sc114 Rh26\n1.0\n14.442888 0.000000 0.000000\n0.000000 14.442888 0.000000\n0.000000 0.000000 14.442888\nSc Rh\n114 26\ndirect\n0.375385 0.000000 0.000000 Sc\n0.000000 0.375385 0.000000 Sc\n0.000000 0.000000 0.375385 Sc\n0.000000 0.624615 0.000000 Sc\n0.000000 0.000000 0.624615 Sc\n0.624615 0.000000 0.000000 Sc\n0.229641 0.500000 0.000000 Sc\n0.000000 0.229641 0.500000 Sc\n0.500000 0.000000 0.229641 Sc\n0.000000 0.770359 0.500000 Sc\n0.500000 0.000000 0.770359 Sc\n0.770359 0.500000 0.000000 Sc\n0.861941 0.500000 0.500000 Sc\n0.500000 0.861941 0.500000 Sc\n0.500000 0.500000 0.861941 Sc\n0.500000 0.138059 0.500000 Sc\n0.500000 0.500000 0.138059 Sc\n0.138059 0.500000 0.500000 Sc\n0.000000 0.393272 0.367952 Sc\n0.367952 0.000000 0.393272 Sc\n0.393272 0.367952 0.000000 Sc\n0.606728 0.632048 0.000000 Sc\n0.367952 0.000000 0.606728 Sc\n0.606728 0.367952 0.000000 Sc\n0.632048 0.000000 0.393272 Sc\n0.632048 0.000000 0.606728 Sc\n0.393272 0.632048 0.000000 Sc\n0.000000 0.606728 0.632048 Sc\n0.000000 0.393272 0.632048 Sc\n0.000000 0.606728 0.367952 Sc\n0.000000 0.178491 0.107178 Sc\n0.107178 0.000000 0.178491 Sc\n0.178491 0.107178 0.000000 Sc\n0.821509 0.892822 0.000000 Sc\n0.107178 0.000000 0.821509 Sc\n0.821509 0.107178 0.000000 Sc\n0.892822 0.000000 0.178491 Sc\n0.892822 0.000000 0.821509 Sc\n0.178491 0.892822 0.000000 Sc\n0.000000 0.821509 0.892822 Sc\n0.000000 0.178491 0.892822 Sc\n0.000000 0.821509 0.107178 Sc\n0.500000 0.825656 0.896874 Sc\n0.896874 0.500000 0.825656 Sc\n0.825656 0.896874 0.500000 Sc\n0.174344 0.103126 0.500000 Sc\n0.896874 0.500000 0.174344 Sc\n0.174344 0.896874 0.500000 Sc\n0.103126 0.500000 0.825656 Sc\n0.103126 0.500000 0.174344 Sc\n0.825656 0.103126 0.500000 Sc\n0.500000 0.174344 0.103126 Sc\n0.500000 0.825656 0.103126 Sc\n0.500000 0.174344 0.896874 Sc\n0.500000 0.674853 0.608799 Sc\n0.608799 0.500000 0.674853 Sc\n0.674853 0.608799 0.500000 Sc\n0.325147 0.391201 0.500000 Sc\n0.608799 0.500000 0.325147 Sc\n0.325147 0.608799 0.500000 Sc\n0.391201 0.500000 0.674853 Sc\n0.391201 0.500000 0.325147 Sc\n0.674853 0.391201 0.500000 Sc\n0.500000 0.325147 0.391201 Sc\n0.500000 0.674853 0.391201 Sc\n0.500000 0.325147 0.608799 Sc\n0.110984 0.189525 0.296780 Sc\n0.296780 0.110984 0.189525 Sc\n0.189525 0.296780 0.110984 Sc\n0.810475 0.703220 0.110984 Sc\n0.296780 0.889016 0.810475 Sc\n0.810475 0.296780 0.889016 Sc\n0.703220 0.889016 0.189525 Sc\n0.703220 0.110984 0.810475 Sc\n0.189525 0.703220 0.889016 Sc\n0.110984 0.810475 0.703220 Sc\n0.889016 0.189525 0.703220 Sc\n0.889016 0.810475 0.296780 Sc\n0.889016 0.810475 0.703220 Sc\n0.703220 0.889016 0.810475 Sc\n0.810475 0.703220 0.889016 Sc\n0.189525 0.296780 0.889016 Sc\n0.703220 0.110984 0.189525 Sc\n0.189525 0.703220 0.110984 Sc\n0.296780 0.110984 0.810475 Sc\n0.296780 0.889016 0.189525 Sc\n0.810475 0.296780 0.110984 Sc\n0.889016 0.189525 0.296780 Sc\n0.110984 0.810475 0.296780 Sc\n0.110984 0.189525 0.703220 Sc\n0.614665 0.678936 0.791917 Sc\n0.791917 0.614665 0.678936 Sc\n0.678936 0.791917 0.614665 Sc\n0.321064 0.208083 0.614665 Sc\n0.791917 0.385335 0.321064 Sc\n0.321064 0.791917 0.385335 Sc\n0.208083 0.385335 0.678936 Sc\n0.208083 0.614665 0.321064 Sc\n0.678936 0.208083 0.385335 Sc\n0.614665 0.321064 0.208083 Sc\n0.385335 0.678936 0.208083 Sc\n0.385335 0.321064 0.791917 Sc\n0.385335 0.321064 0.208083 Sc\n0.208083 0.385335 0.321064 Sc\n0.321064 0.208083 0.385335 Sc\n0.678936 0.791917 0.385335 Sc\n0.208083 0.614665 0.678936 Sc\n0.678936 0.208083 0.614665 Sc\n0.791917 0.614665 0.321064 Sc\n0.791917 0.385335 0.678936 Sc\n0.321064 0.791917 0.614665 Sc\n0.385335 0.678936 0.791917 Sc\n0.614665 0.321064 0.791917 Sc\n0.614665 0.678936 0.208083 Sc\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.000000 0.332889 0.202212 Rh\n0.202212 0.000000 0.332889 Rh\n0.332889 0.202212 0.000000 Rh\n0.667111 0.797788 0.000000 Rh\n0.202212 0.000000 0.667111 Rh\n0.667111 0.202212 0.000000 Rh\n0.797788 0.000000 0.332889 Rh\n0.797788 0.000000 0.667111 Rh\n0.332889 0.797788 0.000000 Rh\n0.000000 0.667111 0.797788 Rh\n0.000000 0.332889 0.797788 Rh\n0.000000 0.667111 0.202212 Rh\n0.500000 0.831939 0.700367 Rh\n0.700367 0.500000 0.831939 Rh\n0.831939 0.700367 0.500000 Rh\n0.168061 0.299633 0.500000 Rh\n0.700367 0.500000 0.168061 Rh\n0.168061 0.700367 0.500000 Rh\n0.299633 0.500000 0.831939 Rh\n0.299633 0.500000 0.168061 Rh\n0.831939 0.299633 0.500000 Rh\n0.500000 0.168061 0.299633 Rh\n0.500000 0.831939 0.299633 Rh\n0.500000 0.168061 0.700367 Rh\n",
"nsites": 140,
"nelements": 2,
"elements": [
"Sc",
"Rh"
],
"chemical_system": "Rh-Sc",
"density": 4.299424758235072,
"density_atomic": 0.04646927591440051,
"volume": 3012.7433071668534,
"volume_molar": 12.959403049647648,
"formula_full": "Sc114 Rh26",
"formula_reduced": "Sc57Rh13",
"formula_anonymous": "A13B57",
"energy": -972.22378624,
"energy_per_atom": -6.944455616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -972.22378624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1141073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.364000Z",
"spacegroup": 200
},
{
"id": "mp-582709",
"created_at": "2022-09-04T14:43:44.617085Z",
"structure_string": "Y26 Cd116\n1.0\n7.895366 -13.675175 0.000000\n7.895366 13.675175 0.000000\n0.000000 0.000000 15.567654\nY Cd\n26 116\ndirect\n0.412148 0.206074 0.552809 Y\n0.871338 0.742676 0.250000 Y\n0.206074 0.412148 0.052809 Y\n0.088834 0.544417 0.750000 Y\n0.793926 0.587852 0.947191 Y\n0.793926 0.206074 0.552809 Y\n0.911166 0.455583 0.250000 Y\n0.793926 0.206074 0.947191 Y\n0.793926 0.587852 0.552809 Y\n0.455583 0.911166 0.750000 Y\n0.128662 0.871338 0.750000 Y\n0.871338 0.128662 0.250000 Y\n0.587852 0.793926 0.052809 Y\n0.587852 0.793926 0.447191 Y\n0.206074 0.793926 0.447191 Y\n0.000000 0.000000 0.000000 Y\n0.455583 0.544417 0.750000 Y\n0.544417 0.088834 0.250000 Y\n0.128662 0.257324 0.750000 Y\n0.742676 0.871338 0.750000 Y\n0.206074 0.412148 0.447191 Y\n0.412148 0.206074 0.947191 Y\n0.000000 0.000000 0.500000 Y\n0.257324 0.128662 0.250000 Y\n0.206074 0.793926 0.052809 Y\n0.544417 0.455583 0.250000 Y\n0.907857 0.092143 0.655769 Cd\n0.000000 0.197466 0.000000 Cd\n0.635444 0.964118 0.601537 Cd\n0.364556 0.328674 0.398463 Cd\n0.671326 0.635444 0.101537 Cd\n0.600318 0.399682 0.051477 Cd\n0.635444 0.671326 0.898463 Cd\n0.964118 0.635444 0.101537 Cd\n0.200636 0.600318 0.948523 Cd\n0.092143 0.907857 0.344231 Cd\n0.559674 0.119348 0.647418 Cd\n0.815715 0.907857 0.344231 Cd\n0.733725 0.266275 0.750000 Cd\n0.440326 0.880652 0.352582 Cd\n0.328674 0.364556 0.898463 Cd\n0.035882 0.671326 0.898463 Cd\n0.531740 0.765870 0.841460 Cd\n0.802534 0.802534 0.000000 Cd\n0.364556 0.035882 0.398463 Cd\n0.000000 0.197466 0.500000 Cd\n0.920132 0.644950 0.750000 Cd\n0.197466 0.197466 0.500000 Cd\n0.671326 0.035882 0.101537 Cd\n0.600318 0.399682 0.448523 Cd\n0.765870 0.531740 0.341460 Cd\n0.765870 0.531740 0.158540 Cd\n0.964118 0.328674 0.101537 Cd\n0.666667 0.333333 0.596721 Cd\n0.275182 0.920132 0.250000 Cd\n0.468260 0.234130 0.341460 Cd\n0.035882 0.364556 0.601537 Cd\n0.333333 0.666667 0.750000 Cd\n0.724818 0.079868 0.750000 Cd\n0.035882 0.364556 0.898463 Cd\n0.802534 0.000000 0.500000 Cd\n0.600318 0.200636 0.448523 Cd\n0.671326 0.035882 0.398463 Cd\n0.355050 0.079868 0.750000 Cd\n0.920132 0.275182 0.750000 Cd\n0.000000 0.802534 0.000000 Cd\n0.440326 0.559674 0.147418 Cd\n0.119348 0.559674 0.352582 Cd\n0.500000 0.000000 0.500000 Cd\n0.907857 0.815715 0.844231 Cd\n0.092143 0.184285 0.155769 Cd\n0.035882 0.671326 0.601537 Cd\n0.328674 0.364556 0.601537 Cd\n0.559674 0.119348 0.852582 Cd\n0.200636 0.600318 0.551477 Cd\n0.635444 0.671326 0.601537 Cd\n0.440326 0.559674 0.352582 Cd\n0.000000 0.000000 0.250000 Cd\n0.600318 0.200636 0.051477 Cd\n0.799364 0.399682 0.448523 Cd\n0.733725 0.467450 0.750000 Cd\n0.399682 0.799364 0.948523 Cd\n0.666667 0.333333 0.903279 Cd\n0.234130 0.468260 0.841460 Cd\n0.765870 0.234130 0.158540 Cd\n0.275182 0.355050 0.250000 Cd\n0.399682 0.600318 0.551477 Cd\n0.364556 0.035882 0.101537 Cd\n0.765870 0.234130 0.341460 Cd\n0.815715 0.907857 0.155769 Cd\n0.328674 0.964118 0.898463 Cd\n0.880652 0.440326 0.852582 Cd\n0.907857 0.815715 0.655769 Cd\n0.119348 0.559674 0.147418 Cd\n0.964118 0.328674 0.398463 Cd\n0.644950 0.724818 0.250000 Cd\n0.559674 0.440326 0.852582 Cd\n0.468260 0.234130 0.158540 Cd\n0.802534 0.802534 0.500000 Cd\n0.000000 0.000000 0.750000 Cd\n0.184285 0.092143 0.655769 Cd\n0.197466 0.197466 0.000000 Cd\n0.197466 0.000000 0.500000 Cd\n0.079868 0.355050 0.250000 Cd\n0.671326 0.635444 0.398463 Cd\n0.531740 0.765870 0.658540 Cd\n0.799364 0.399682 0.051477 Cd\n0.364556 0.328674 0.101537 Cd\n0.234130 0.765870 0.841460 Cd\n0.666667 0.333333 0.250000 Cd\n0.440326 0.880652 0.147418 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.234130 0.765870 0.658540 Cd\n0.333333 0.666667 0.403279 Cd\n0.197466 0.000000 0.000000 Cd\n0.079868 0.724818 0.250000 Cd\n0.000000 0.802534 0.500000 Cd\n0.635444 0.964118 0.898463 Cd\n0.500000 0.500000 0.500000 Cd\n0.184285 0.092143 0.844231 Cd\n0.532550 0.266275 0.750000 Cd\n0.092143 0.907857 0.155769 Cd\n0.907857 0.092143 0.844231 Cd\n0.559674 0.440326 0.647418 Cd\n0.355050 0.275182 0.750000 Cd\n0.266275 0.733725 0.250000 Cd\n0.964118 0.635444 0.398463 Cd\n0.333333 0.666667 0.096721 Cd\n0.266275 0.532550 0.250000 Cd\n0.802534 0.000000 0.000000 Cd\n0.644950 0.920132 0.250000 Cd\n0.500000 0.000000 0.000000 Cd\n0.880652 0.440326 0.647418 Cd\n0.328674 0.964118 0.601537 Cd\n0.000000 0.500000 0.000000 Cd\n0.092143 0.184285 0.344231 Cd\n0.399682 0.600318 0.948523 Cd\n0.234130 0.468260 0.658540 Cd\n0.724818 0.644950 0.750000 Cd\n0.399682 0.799364 0.551477 Cd\n0.467450 0.733725 0.250000 Cd\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Y",
"Cd"
],
"chemical_system": "Cd-Y",
"density": 7.582874988528443,
"density_atomic": 0.042240594156958196,
"volume": 3361.6951379129373,
"volume_molar": 14.256761487830508,
"formula_full": "Y26 Cd116",
"formula_reduced": "Y13Cd58",
"formula_anonymous": "A13B58",
"energy": -303.92116917,
"energy_per_atom": -2.1402899237323942,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -303.92116917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0367351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.396000Z",
"spacegroup": 194
},
{
"id": "mp-581920",
"created_at": "2022-09-04T14:43:36.196523Z",
"structure_string": "La26 Cd116\n1.0\n16.143752 0.000000 0.000000\n-8.071876 13.980900 0.000000\n0.000000 0.000000 15.765297\nLa Cd\n26 116\ndirect\n0.411287 0.205644 0.551826 La\n0.872255 0.744510 0.250000 La\n0.205644 0.411287 0.051826 La\n0.084575 0.542287 0.750000 La\n0.794356 0.588713 0.948174 La\n0.794356 0.205644 0.551826 La\n0.915425 0.457713 0.250000 La\n0.794356 0.205644 0.948174 La\n0.794356 0.588713 0.551826 La\n0.457713 0.915425 0.750000 La\n0.127745 0.872255 0.750000 La\n0.872255 0.127745 0.250000 La\n0.588713 0.794356 0.051826 La\n0.588713 0.794356 0.448174 La\n0.205644 0.794356 0.448174 La\n0.000000 0.000000 0.000000 La\n0.457713 0.542287 0.750000 La\n0.542287 0.084575 0.250000 La\n0.127745 0.255490 0.750000 La\n0.744510 0.872255 0.750000 La\n0.205644 0.411287 0.448174 La\n0.411287 0.205644 0.948174 La\n0.000000 0.000000 0.500000 La\n0.255490 0.127745 0.250000 La\n0.205644 0.794356 0.051826 La\n0.542287 0.457713 0.250000 La\n0.905806 0.094194 0.656155 Cd\n0.000000 0.199850 0.000000 Cd\n0.634795 0.964185 0.602777 Cd\n0.365205 0.329390 0.397223 Cd\n0.670610 0.634795 0.102777 Cd\n0.600527 0.399473 0.053063 Cd\n0.634795 0.670610 0.897223 Cd\n0.964185 0.634795 0.102777 Cd\n0.201055 0.600527 0.946937 Cd\n0.094194 0.905806 0.343845 Cd\n0.562493 0.124986 0.643495 Cd\n0.811611 0.905806 0.343845 Cd\n0.731601 0.268399 0.750000 Cd\n0.437507 0.875014 0.356505 Cd\n0.329390 0.365205 0.897223 Cd\n0.035815 0.670610 0.897223 Cd\n0.529851 0.764925 0.841446 Cd\n0.800150 0.800150 0.000000 Cd\n0.365205 0.035815 0.397223 Cd\n0.000000 0.199850 0.500000 Cd\n0.917378 0.637519 0.750000 Cd\n0.199850 0.199850 0.500000 Cd\n0.670610 0.035815 0.102777 Cd\n0.600527 0.399473 0.446937 Cd\n0.764925 0.529851 0.341446 Cd\n0.764925 0.529851 0.158554 Cd\n0.964185 0.329390 0.102777 Cd\n0.666667 0.333333 0.594205 Cd\n0.279859 0.917378 0.250000 Cd\n0.470149 0.235075 0.341446 Cd\n0.035815 0.365205 0.602777 Cd\n0.333333 0.666667 0.750000 Cd\n0.720141 0.082622 0.750000 Cd\n0.035815 0.365205 0.897223 Cd\n0.800150 0.000000 0.500000 Cd\n0.600527 0.201055 0.446937 Cd\n0.670610 0.035815 0.397223 Cd\n0.362481 0.082622 0.750000 Cd\n0.917378 0.279859 0.750000 Cd\n1.000000 0.800150 0.000000 Cd\n0.437507 0.562493 0.143495 Cd\n0.124986 0.562493 0.356505 Cd\n0.500000 0.000000 0.500000 Cd\n0.905806 0.811611 0.843845 Cd\n0.094194 0.188389 0.156155 Cd\n0.035815 0.670610 0.602777 Cd\n0.329390 0.365205 0.602777 Cd\n0.562493 0.124986 0.856505 Cd\n0.201055 0.600527 0.553063 Cd\n0.634795 0.670610 0.602777 Cd\n0.437507 0.562493 0.356505 Cd\n0.000000 0.000000 0.250000 Cd\n0.600527 0.201055 0.053063 Cd\n0.798945 0.399473 0.446937 Cd\n0.731601 0.463202 0.750000 Cd\n0.399473 0.798945 0.946937 Cd\n0.666667 0.333333 0.905795 Cd\n0.235075 0.470149 0.841446 Cd\n0.764925 0.235075 0.158554 Cd\n0.279859 0.362481 0.250000 Cd\n0.399473 0.600527 0.553063 Cd\n0.365205 0.035815 0.102777 Cd\n0.764925 0.235075 0.341446 Cd\n0.811611 0.905806 0.156155 Cd\n0.329390 0.964185 0.897223 Cd\n0.875014 0.437507 0.856505 Cd\n0.905806 0.811611 0.656155 Cd\n0.124986 0.562493 0.143495 Cd\n0.964185 0.329390 0.397223 Cd\n0.637519 0.720141 0.250000 Cd\n0.562493 0.437507 0.856505 Cd\n0.470149 0.235075 0.158554 Cd\n0.800150 0.800150 0.500000 Cd\n0.000000 0.000000 0.750000 Cd\n0.188389 0.094194 0.656155 Cd\n0.199850 0.199850 0.000000 Cd\n0.199850 0.000000 0.500000 Cd\n0.082622 0.362481 0.250000 Cd\n0.670610 0.634795 0.397223 Cd\n0.529851 0.764925 0.658554 Cd\n0.798945 0.399473 0.053063 Cd\n0.365205 0.329390 0.102777 Cd\n0.235075 0.764925 0.841446 Cd\n0.666667 0.333333 0.250000 Cd\n0.437507 0.875014 0.143495 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.235075 0.764925 0.658554 Cd\n0.333333 0.666667 0.405795 Cd\n0.199850 0.000000 0.000000 Cd\n0.082622 0.720141 0.250000 Cd\n1.000000 0.800150 0.500000 Cd\n0.634795 0.964185 0.897223 Cd\n0.500000 0.500000 0.500000 Cd\n0.188389 0.094194 0.843845 Cd\n0.536798 0.268399 0.750000 Cd\n0.094194 0.905806 0.156155 Cd\n0.905806 0.094194 0.843845 Cd\n0.562493 0.437507 0.643495 Cd\n0.362481 0.279859 0.750000 Cd\n0.268399 0.731601 0.250000 Cd\n0.964185 0.634795 0.397223 Cd\n0.333333 0.666667 0.094205 Cd\n0.268399 0.536798 0.250000 Cd\n0.800150 0.000000 0.000000 Cd\n0.637519 0.917378 0.250000 Cd\n0.500000 0.000000 0.000000 Cd\n0.875014 0.437507 0.643495 Cd\n0.329390 0.964185 0.602777 Cd\n0.000000 0.500000 0.000000 Cd\n0.094194 0.188389 0.343845 Cd\n0.399473 0.600527 0.946937 Cd\n0.235075 0.470149 0.658554 Cd\n0.720141 0.637519 0.750000 Cd\n0.399473 0.798945 0.553063 Cd\n0.463202 0.731601 0.250000 Cd\n",
"nsites": 142,
"nelements": 2,
"elements": [
"La",
"Cd"
],
"chemical_system": "Cd-La",
"density": 7.770578397805632,
"density_atomic": 0.03990677026777245,
"volume": 3558.2934686818057,
"volume_molar": 15.090524037880623,
"formula_full": "La26 Cd116",
"formula_reduced": "La13Cd58",
"formula_anonymous": "A13B58",
"energy": -275.75603877,
"energy_per_atom": -1.9419439349999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.75603877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003608,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.433000Z",
"spacegroup": 194
},
{
"id": "mp-1197586",
"created_at": "2022-09-04T14:45:08.850964Z",
"structure_string": "Ho26 Zn116\n1.0\n0.000000 0.000000 -13.974474\n-7.151433 -12.386740 0.000000\n-7.151433 12.386740 -0.000000\nHo Zn\n26 116\ndirect\n0.500000 0.000000 0.000000 Ho\n-0.000000 0.000000 0.000000 Ho\n0.750000 0.455823 0.911645 Ho\n0.750000 0.455822 0.544178 Ho\n0.750000 0.088355 0.544177 Ho\n0.250000 0.544177 0.088355 Ho\n0.250000 0.544178 0.455822 Ho\n0.250000 0.911645 0.455823 Ho\n0.750000 0.128036 0.256066 Ho\n0.750000 0.128040 0.871960 Ho\n0.750000 0.743934 0.871964 Ho\n0.250000 0.871964 0.743934 Ho\n0.250000 0.871960 0.128040 Ho\n0.250000 0.256066 0.128036 Ho\n0.552109 0.794182 0.588364 Ho\n0.552107 0.794185 0.205815 Ho\n0.552109 0.411636 0.205818 Ho\n0.447891 0.205818 0.411636 Ho\n0.447893 0.205815 0.794185 Ho\n0.447891 0.588364 0.794182 Ho\n0.052109 0.205818 0.411636 Ho\n0.052107 0.205815 0.794185 Ho\n0.052109 0.588364 0.794182 Ho\n0.947891 0.794182 0.588364 Ho\n0.947893 0.794185 0.205815 Ho\n0.947891 0.411636 0.205818 Ho\n0.750000 0.000002 0.999999 Zn\n0.250000 0.999999 0.000002 Zn\n0.250000 0.666674 0.333326 Zn\n0.750000 0.333326 0.666674 Zn\n0.596051 0.666676 0.333324 Zn\n0.403949 0.333324 0.666676 Zn\n0.096051 0.333324 0.666676 Zn\n0.903949 0.666676 0.333324 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n-0.000000 0.500000 0.000000 Zn\n-0.000000 0.500000 0.500000 Zn\n-0.000000 0.000000 0.500000 Zn\n0.750000 0.730393 0.460785 Zn\n0.750000 0.730397 0.269603 Zn\n0.750000 0.539215 0.269607 Zn\n0.250000 0.269607 0.539215 Zn\n0.250000 0.269603 0.730397 Zn\n0.250000 0.460785 0.730393 Zn\n0.499999 0.798838 0.999998 Zn\n0.500000 0.201162 0.201162 Zn\n0.500001 0.999998 0.798838 Zn\n0.500001 0.201162 0.000002 Zn\n0.499999 0.000002 0.201162 Zn\n0.500000 0.798838 0.798838 Zn\n0.999999 0.201162 0.000002 Zn\n-0.000000 0.798838 0.798838 Zn\n0.000001 0.000002 0.201162 Zn\n0.000001 0.798838 0.999998 Zn\n0.999999 0.999998 0.798838 Zn\n-0.000000 0.201162 0.201162 Zn\n0.750000 0.915696 0.634574 Zn\n0.750000 0.718876 0.084300 Zn\n0.750000 0.365424 0.281121 Zn\n0.750000 0.718879 0.634576 Zn\n0.750000 0.365426 0.084304 Zn\n0.750000 0.915700 0.281124 Zn\n0.250000 0.084304 0.365426 Zn\n0.250000 0.281124 0.915700 Zn\n0.250000 0.634576 0.718879 Zn\n0.250000 0.281121 0.365424 Zn\n0.250000 0.634574 0.915696 Zn\n0.250000 0.084300 0.718876 Zn\n0.656832 0.905017 0.810034 Zn\n0.656832 0.905018 0.094982 Zn\n0.656832 0.189966 0.094983 Zn\n0.343168 0.094983 0.189966 Zn\n0.343168 0.094982 0.905018 Zn\n0.343168 0.810034 0.905017 Zn\n0.156832 0.094983 0.189966 Zn\n0.156832 0.094982 0.905018 Zn\n0.156832 0.810034 0.905017 Zn\n0.843168 0.905017 0.810034 Zn\n0.843168 0.905018 0.094982 Zn\n0.843168 0.189966 0.094983 Zn\n0.141858 0.436760 0.873522 Zn\n0.141853 0.436754 0.563246 Zn\n0.141858 0.126478 0.563240 Zn\n0.858142 0.563240 0.126478 Zn\n0.858147 0.563246 0.436754 Zn\n0.858142 0.873522 0.436760 Zn\n0.641858 0.563240 0.126478 Zn\n0.641853 0.563246 0.436754 Zn\n0.641858 0.873522 0.436760 Zn\n0.358142 0.436760 0.873522 Zn\n0.358147 0.436754 0.563246 Zn\n0.358142 0.126478 0.563240 Zn\n0.551006 0.398649 0.797297 Zn\n0.550995 0.398647 0.601353 Zn\n0.551006 0.202703 0.601351 Zn\n0.448994 0.601351 0.202703 Zn\n0.449005 0.601353 0.398647 Zn\n0.448994 0.797297 0.398649 Zn\n0.051006 0.601351 0.202703 Zn\n0.050995 0.601353 0.398647 Zn\n0.051006 0.797297 0.398649 Zn\n0.948994 0.398649 0.797297 Zn\n0.949005 0.398647 0.601353 Zn\n0.948994 0.202703 0.601351 Zn\n0.157099 0.764228 0.528452 Zn\n0.157095 0.764229 0.235771 Zn\n0.157099 0.471548 0.235772 Zn\n0.842901 0.235772 0.471548 Zn\n0.842905 0.235771 0.764229 Zn\n0.842901 0.528452 0.764228 Zn\n0.657099 0.235772 0.471548 Zn\n0.657095 0.235771 0.764229 Zn\n0.657099 0.528452 0.764228 Zn\n0.342901 0.764228 0.528452 Zn\n0.342905 0.764229 0.235771 Zn\n0.342901 0.471548 0.235772 Zn\n0.602571 0.634329 0.963774 Zn\n0.602573 0.329445 0.365671 Zn\n0.602572 0.036224 0.670553 Zn\n0.602572 0.329447 0.963776 Zn\n0.602571 0.036226 0.365671 Zn\n0.602573 0.634329 0.670555 Zn\n0.397429 0.365671 0.036226 Zn\n0.397427 0.670555 0.634329 Zn\n0.397428 0.963776 0.329447 Zn\n0.397428 0.670553 0.036224 Zn\n0.397429 0.963774 0.634329 Zn\n0.397427 0.365671 0.329445 Zn\n0.102571 0.365671 0.036226 Zn\n0.102573 0.670555 0.634329 Zn\n0.102572 0.963776 0.329447 Zn\n0.102572 0.670553 0.036224 Zn\n0.102571 0.963774 0.634329 Zn\n0.102573 0.365671 0.329445 Zn\n0.897429 0.634329 0.963774 Zn\n0.897427 0.329445 0.365671 Zn\n0.897428 0.036224 0.670553 Zn\n0.897428 0.329447 0.963776 Zn\n0.897429 0.036226 0.365671 Zn\n0.897427 0.634329 0.670555 Zn\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Ho",
"Zn"
],
"chemical_system": "Ho-Zn",
"density": 7.965082506909298,
"density_atomic": 0.05735519792030818,
"volume": 2475.8000172416982,
"volume_molar": 10.499729716506996,
"formula_full": "Ho26 Zn116",
"formula_reduced": "Ho13Zn58",
"formula_anonymous": "A13B58",
"energy": -310.90401379,
"energy_per_atom": -2.1894648858450707,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.90401379,
"band_gap": 0.0285999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008694,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.806000Z",
"spacegroup": 194
},
{
"id": "mp-581595",
"created_at": "2022-09-04T14:41:05.966086Z",
"structure_string": "Pu26 Zn116\n1.0\n14.470729 0.000000 0.000000\n-7.235365 12.532020 0.000000\n0.000000 0.000000 13.964823\nPu Zn\n26 116\ndirect\n0.409540 0.204770 0.552779 Pu\n0.458429 0.541571 0.750000 Pu\n0.874609 0.749219 0.250000 Pu\n0.083143 0.541571 0.750000 Pu\n0.795230 0.590460 0.947221 Pu\n0.795230 0.204770 0.552779 Pu\n0.458429 0.916857 0.750000 Pu\n0.795230 0.204770 0.947221 Pu\n0.795230 0.590460 0.552779 Pu\n0.916857 0.458429 0.250000 Pu\n0.125391 0.874609 0.750000 Pu\n0.874609 0.125391 0.250000 Pu\n0.590460 0.795230 0.052779 Pu\n0.204770 0.409540 0.052779 Pu\n0.590460 0.795230 0.447221 Pu\n0.204770 0.795230 0.447221 Pu\n0.000000 0.000000 0.000000 Pu\n0.541571 0.083143 0.250000 Pu\n0.250781 0.125391 0.250000 Pu\n0.749219 0.874609 0.750000 Pu\n0.204770 0.409540 0.447221 Pu\n0.409540 0.204770 0.947221 Pu\n0.125391 0.250781 0.750000 Pu\n0.000000 0.000000 0.500000 Pu\n0.204770 0.795230 0.052779 Pu\n0.541571 0.458429 0.250000 Pu\n0.471469 0.235735 0.158588 Zn\n1.000000 0.200443 0.000000 Zn\n0.634865 0.964330 0.602081 Zn\n0.365135 0.329464 0.397919 Zn\n0.601373 0.398627 0.051214 Zn\n0.634865 0.670536 0.897919 Zn\n0.964330 0.634865 0.102081 Zn\n0.202745 0.601373 0.948786 Zn\n0.095081 0.904919 0.344325 Zn\n0.564131 0.128262 0.643623 Zn\n0.809838 0.904919 0.344325 Zn\n0.730761 0.269239 0.750000 Zn\n0.435869 0.871738 0.356377 Zn\n0.329464 0.365135 0.897919 Zn\n0.035670 0.670536 0.897919 Zn\n0.528531 0.764265 0.841412 Zn\n0.799557 0.799557 0.000000 Zn\n0.365135 0.035670 0.397919 Zn\n0.904919 0.809838 0.655675 Zn\n0.916032 0.635383 0.750000 Zn\n0.200443 0.200443 0.500000 Zn\n0.000000 0.000000 0.750000 Zn\n0.670536 0.035670 0.102081 Zn\n0.601373 0.398627 0.448786 Zn\n0.235735 0.471469 0.841412 Zn\n0.764265 0.528531 0.341412 Zn\n0.764265 0.528531 0.158588 Zn\n0.964330 0.329464 0.102081 Zn\n0.280649 0.916032 0.250000 Zn\n0.471469 0.235735 0.341412 Zn\n0.035670 0.365135 0.602081 Zn\n0.333333 0.666667 0.750000 Zn\n0.904919 0.809838 0.844325 Zn\n0.035670 0.365135 0.897919 Zn\n0.799557 0.000000 0.000000 Zn\n0.670536 0.035670 0.397919 Zn\n0.365135 0.035670 0.102081 Zn\n0.364617 0.083968 0.750000 Zn\n0.916032 0.280649 0.750000 Zn\n0.000000 0.799557 0.000000 Zn\n0.435869 0.564131 0.143623 Zn\n0.128262 0.564131 0.356377 Zn\n0.719351 0.083968 0.750000 Zn\n0.095081 0.190162 0.155675 Zn\n0.035670 0.670536 0.602081 Zn\n0.329464 0.365135 0.602081 Zn\n0.564131 0.128262 0.856377 Zn\n0.634865 0.670536 0.602081 Zn\n0.365135 0.329464 0.102081 Zn\n0.435869 0.564131 0.356377 Zn\n0.500000 0.000000 0.500000 Zn\n0.601373 0.202745 0.051214 Zn\n0.797255 0.398627 0.448786 Zn\n0.730761 0.461523 0.750000 Zn\n0.398627 0.797255 0.948786 Zn\n0.666667 0.333333 0.903818 Zn\n0.670536 0.634865 0.102081 Zn\n0.764265 0.235735 0.158588 Zn\n0.280649 0.364617 0.250000 Zn\n0.398627 0.601373 0.551214 Zn\n0.000000 0.000000 0.250000 Zn\n0.202745 0.601373 0.551214 Zn\n0.764265 0.235735 0.341412 Zn\n0.809838 0.904919 0.155675 Zn\n0.329464 0.964330 0.897919 Zn\n0.871738 0.435869 0.856377 Zn\n0.128262 0.564131 0.143623 Zn\n0.964330 0.329464 0.397919 Zn\n0.635383 0.719351 0.250000 Zn\n0.564131 0.435869 0.856377 Zn\n0.904919 0.095081 0.655675 Zn\n0.799557 0.799557 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.190162 0.095081 0.655675 Zn\n0.200443 0.200443 0.000000 Zn\n0.200443 0.000000 0.500000 Zn\n0.083968 0.364617 0.250000 Zn\n0.670536 0.634865 0.397919 Zn\n0.528531 0.764265 0.658588 Zn\n0.797255 0.398627 0.051214 Zn\n1.000000 0.200443 0.500000 Zn\n0.601373 0.202745 0.448786 Zn\n0.235735 0.764265 0.841412 Zn\n0.666667 0.333333 0.250000 Zn\n0.435869 0.871738 0.143623 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.235735 0.764265 0.658588 Zn\n0.333333 0.666667 0.403818 Zn\n0.200443 0.000000 0.000000 Zn\n0.083968 0.719351 0.250000 Zn\n0.000000 0.799557 0.500000 Zn\n0.634865 0.964330 0.897919 Zn\n0.500000 0.500000 0.500000 Zn\n0.190162 0.095081 0.844325 Zn\n0.538477 0.269239 0.750000 Zn\n0.095081 0.904919 0.155675 Zn\n0.719351 0.635383 0.750000 Zn\n0.564131 0.435869 0.643623 Zn\n0.364617 0.280649 0.750000 Zn\n0.269239 0.730761 0.250000 Zn\n0.964330 0.634865 0.397919 Zn\n0.333333 0.666667 0.096182 Zn\n0.269239 0.538477 0.250000 Zn\n0.799557 0.000000 0.500000 Zn\n0.635383 0.916032 0.250000 Zn\n0.500000 0.000000 0.000000 Zn\n0.871738 0.435869 0.643623 Zn\n0.329464 0.964330 0.602081 Zn\n0.095081 0.190162 0.344325 Zn\n0.398627 0.601373 0.948786 Zn\n0.904919 0.095081 0.844325 Zn\n0.235735 0.471469 0.658588 Zn\n0.666667 0.333333 0.596182 Zn\n0.398627 0.797255 0.551214 Zn\n0.461523 0.730761 0.250000 Zn\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Pu",
"Zn"
],
"chemical_system": "Pu-Zn",
"density": 9.134784490121662,
"density_atomic": 0.056071402507679106,
"volume": 2532.485253611282,
"volume_molar": 10.740128640754534,
"formula_full": "Pu26 Zn116",
"formula_reduced": "Pu13Zn58",
"formula_anonymous": "A13B58",
"energy": -540.28431979,
"energy_per_atom": -3.8048191534507043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -540.28431979,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.2526816,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.947000Z",
"spacegroup": 194
},
{
"id": "mp-571501",
"created_at": "2022-09-04T14:46:09.797160Z",
"structure_string": "Pr26 Zn116\n1.0\n0.000000 0.000000 -14.246859\n-7.314521 -12.669176 0.000000\n-7.314521 12.669176 -0.000000\nPr Zn\n26 116\ndirect\n0.500000 0.000000 0.000000 Pr\n0.000000 0.000000 0.000000 Pr\n0.750000 0.456977 0.913966 Pr\n0.750000 0.456985 0.543015 Pr\n0.750000 0.086034 0.543023 Pr\n0.250000 0.543023 0.086034 Pr\n0.250000 0.543015 0.456985 Pr\n0.250000 0.913966 0.456977 Pr\n0.750000 0.128230 0.256467 Pr\n0.750000 0.128232 0.871768 Pr\n0.750000 0.743533 0.871770 Pr\n0.250000 0.871770 0.743533 Pr\n0.250000 0.871768 0.128232 Pr\n0.250000 0.256467 0.128230 Pr\n0.552395 0.795005 0.590013 Pr\n0.552399 0.795010 0.204990 Pr\n0.552395 0.409987 0.204995 Pr\n0.447605 0.204995 0.409987 Pr\n0.447601 0.204990 0.795010 Pr\n0.447605 0.590013 0.795005 Pr\n0.052395 0.204995 0.409987 Pr\n0.052399 0.204990 0.795010 Pr\n0.052395 0.590013 0.795005 Pr\n0.947605 0.795005 0.590013 Pr\n0.947601 0.795010 0.204990 Pr\n0.947605 0.409987 0.204995 Pr\n0.750000 0.000000 1.000000 Zn\n0.250000 1.000000 0.000000 Zn\n0.250000 0.666678 0.333322 Zn\n0.750000 0.333322 0.666678 Zn\n0.596567 0.666679 0.333321 Zn\n0.403433 0.333321 0.666679 Zn\n0.096567 0.333321 0.666679 Zn\n0.903433 0.666679 0.333321 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.750000 0.729742 0.459486 Zn\n0.750000 0.729748 0.270252 Zn\n0.750000 0.540514 0.270258 Zn\n0.250000 0.270258 0.540514 Zn\n0.250000 0.270252 0.729748 Zn\n0.250000 0.459486 0.729742 Zn\n0.500000 0.797990 -0.000000 Zn\n0.500000 0.202010 0.202010 Zn\n0.500000 -0.000000 0.797990 Zn\n0.500000 0.202010 0.000000 Zn\n0.500000 0.000000 0.202010 Zn\n0.500000 0.797990 0.797990 Zn\n1.000000 0.202010 0.000000 Zn\n0.000000 0.797990 0.797990 Zn\n0.000000 0.000000 0.202010 Zn\n0.000000 0.797990 -0.000000 Zn\n1.000000 -0.000000 0.797990 Zn\n0.000000 0.202010 0.202010 Zn\n0.750000 0.915546 0.633800 Zn\n0.750000 0.718254 0.084452 Zn\n0.750000 0.366199 0.281747 Zn\n0.750000 0.718253 0.633801 Zn\n0.750000 0.366200 0.084454 Zn\n0.750000 0.915548 0.281746 Zn\n0.250000 0.084454 0.366200 Zn\n0.250000 0.281746 0.915548 Zn\n0.250000 0.633801 0.718253 Zn\n0.250000 0.281747 0.366199 Zn\n0.250000 0.633800 0.915546 Zn\n0.250000 0.084452 0.718254 Zn\n0.656855 0.905051 0.810103 Zn\n0.656856 0.905052 0.094948 Zn\n0.656855 0.189897 0.094949 Zn\n0.343145 0.094949 0.189897 Zn\n0.343144 0.094948 0.905052 Zn\n0.343145 0.810103 0.905051 Zn\n0.156855 0.094949 0.189897 Zn\n0.156856 0.094948 0.905052 Zn\n0.156855 0.810103 0.905051 Zn\n0.843145 0.905051 0.810103 Zn\n0.843144 0.905052 0.094948 Zn\n0.843145 0.189897 0.094949 Zn\n0.141191 0.435178 0.870356 Zn\n0.141187 0.435170 0.564830 Zn\n0.141191 0.129644 0.564822 Zn\n0.858809 0.564822 0.129644 Zn\n0.858813 0.564830 0.435170 Zn\n0.858809 0.870356 0.435178 Zn\n0.641191 0.564822 0.129644 Zn\n0.641187 0.564830 0.435170 Zn\n0.641191 0.870356 0.435178 Zn\n0.358809 0.435178 0.870356 Zn\n0.358813 0.435170 0.564830 Zn\n0.358809 0.129644 0.564822 Zn\n0.550976 0.397940 0.795881 Zn\n0.550966 0.397938 0.602062 Zn\n0.550976 0.204119 0.602060 Zn\n0.449024 0.602060 0.204119 Zn\n0.449034 0.602062 0.397938 Zn\n0.449024 0.795881 0.397940 Zn\n0.050976 0.602060 0.204119 Zn\n0.050966 0.602062 0.397938 Zn\n0.050976 0.795881 0.397940 Zn\n0.949024 0.397940 0.795881 Zn\n0.949034 0.397938 0.602062 Zn\n0.949024 0.204119 0.602060 Zn\n0.157132 0.762615 0.525227 Zn\n0.157128 0.762618 0.237382 Zn\n0.157132 0.474773 0.237385 Zn\n0.842868 0.237385 0.474773 Zn\n0.842872 0.237382 0.762618 Zn\n0.842868 0.525227 0.762615 Zn\n0.657132 0.237385 0.474773 Zn\n0.657128 0.237382 0.762618 Zn\n0.657132 0.525227 0.762615 Zn\n0.342868 0.762615 0.525227 Zn\n0.342872 0.762618 0.237382 Zn\n0.342868 0.474773 0.237385 Zn\n0.602529 0.634536 0.964171 Zn\n0.602530 0.329634 0.365464 Zn\n0.602530 0.035830 0.670366 Zn\n0.602530 0.329634 0.964170 Zn\n0.602529 0.035829 0.365464 Zn\n0.602530 0.634536 0.670366 Zn\n0.397471 0.365464 0.035829 Zn\n0.397470 0.670366 0.634536 Zn\n0.397470 0.964170 0.329634 Zn\n0.397470 0.670366 0.035830 Zn\n0.397471 0.964171 0.634536 Zn\n0.397470 0.365464 0.329634 Zn\n0.102529 0.365464 0.035829 Zn\n0.102530 0.670366 0.634536 Zn\n0.102530 0.964170 0.329634 Zn\n0.102530 0.670366 0.035830 Zn\n0.102529 0.964171 0.634536 Zn\n0.102530 0.365464 0.329634 Zn\n0.897471 0.634536 0.964171 Zn\n0.897470 0.329634 0.365464 Zn\n0.897470 0.035830 0.670366 Zn\n0.897470 0.329634 0.964170 Zn\n0.897471 0.035829 0.365464 Zn\n0.897470 0.634536 0.670366 Zn\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Pr",
"Zn"
],
"chemical_system": "Pr-Zn",
"density": 7.0755221650812405,
"density_atomic": 0.05377803903809556,
"volume": 2640.483039915407,
"volume_molar": 11.198141225889636,
"formula_full": "Pr26 Zn116",
"formula_reduced": "Pr13Zn58",
"formula_anonymous": "A13B58",
"energy": -316.24629648,
"energy_per_atom": -2.2270865949295775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -316.24629648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003092,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.505000Z",
"spacegroup": 194
},
{
"id": "mp-1204970",
"created_at": "2022-09-04T14:44:02.532357Z",
"structure_string": "Yb26 Zn116\n1.0\n0.000000 0.000000 -13.984606\n-7.190817 -12.454786 -0.000000\n-7.190817 12.454786 0.000000\nYb Zn\n26 116\ndirect\n0.500000 -0.000000 -0.000000 Yb\n-0.000000 -0.000000 -0.000000 Yb\n0.750000 0.455769 0.911539 Yb\n0.750000 0.455772 0.544228 Yb\n0.750000 0.088461 0.544231 Yb\n0.250000 0.544231 0.088461 Yb\n0.250000 0.544228 0.455772 Yb\n0.250000 0.911539 0.455769 Yb\n0.750000 0.124122 0.248242 Yb\n0.750000 0.124118 0.875882 Yb\n0.750000 0.751758 0.875878 Yb\n0.250000 0.875878 0.751758 Yb\n0.250000 0.875882 0.124118 Yb\n0.250000 0.248242 0.124122 Yb\n0.553465 0.793070 0.586141 Yb\n0.553465 0.793070 0.206930 Yb\n0.553465 0.413859 0.206930 Yb\n0.446535 0.206930 0.413859 Yb\n0.446535 0.206930 0.793070 Yb\n0.446535 0.586141 0.793070 Yb\n0.053465 0.206930 0.413859 Yb\n0.053465 0.206930 0.793070 Yb\n0.053465 0.586141 0.793070 Yb\n0.946535 0.793070 0.586141 Yb\n0.946535 0.793070 0.206930 Yb\n0.946535 0.413859 0.206930 Yb\n0.750000 0.999999 0.000001 Zn\n0.250000 0.000001 0.999999 Zn\n0.250000 0.666666 0.333334 Zn\n0.750000 0.333334 0.666666 Zn\n0.594961 0.666667 0.333333 Zn\n0.405039 0.333333 0.666667 Zn\n0.094961 0.333333 0.666667 Zn\n0.905039 0.666667 0.333333 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n-0.000000 0.500000 0.500000 Zn\n-0.000000 -0.000000 0.500000 Zn\n0.750000 0.729851 0.459698 Zn\n0.750000 0.729850 0.270150 Zn\n0.750000 0.540302 0.270149 Zn\n0.250000 0.270149 0.540302 Zn\n0.250000 0.270150 0.729850 Zn\n0.250000 0.459698 0.729851 Zn\n0.500000 0.800508 1.000000 Zn\n0.500000 0.199495 0.199495 Zn\n0.500000 1.000000 0.800508 Zn\n0.500000 0.199492 0.000000 Zn\n0.500000 0.000000 0.199492 Zn\n0.500000 0.800505 0.800505 Zn\n1.000000 0.199492 0.000000 Zn\n-0.000000 0.800505 0.800505 Zn\n0.000000 0.000000 0.199492 Zn\n0.000000 0.800508 1.000000 Zn\n1.000000 1.000000 0.800508 Zn\n-0.000000 0.199495 0.199495 Zn\n0.750000 0.913582 0.634575 Zn\n0.750000 0.720995 0.086417 Zn\n0.750000 0.365428 0.279009 Zn\n0.750000 0.720991 0.634572 Zn\n0.750000 0.365425 0.086418 Zn\n0.750000 0.913583 0.279005 Zn\n0.250000 0.086418 0.365425 Zn\n0.250000 0.279005 0.913583 Zn\n0.250000 0.634572 0.720991 Zn\n0.250000 0.279009 0.365428 Zn\n0.250000 0.634575 0.913582 Zn\n0.250000 0.086417 0.720995 Zn\n0.659248 0.900662 0.801326 Zn\n0.659248 0.900664 0.099336 Zn\n0.659248 0.198674 0.099338 Zn\n0.340752 0.099338 0.198674 Zn\n0.340752 0.099336 0.900664 Zn\n0.340752 0.801326 0.900662 Zn\n0.159248 0.099338 0.198674 Zn\n0.159248 0.099336 0.900664 Zn\n0.159248 0.801326 0.900662 Zn\n0.840752 0.900662 0.801326 Zn\n0.840752 0.900664 0.099336 Zn\n0.840752 0.198674 0.099338 Zn\n0.145742 0.436639 0.873281 Zn\n0.145742 0.436643 0.563357 Zn\n0.145742 0.126719 0.563361 Zn\n0.854258 0.563361 0.126719 Zn\n0.854258 0.563357 0.436643 Zn\n0.854258 0.873281 0.436639 Zn\n0.645742 0.563361 0.126719 Zn\n0.645742 0.563357 0.436643 Zn\n0.645742 0.873281 0.436639 Zn\n0.354258 0.436639 0.873281 Zn\n0.354258 0.436643 0.563357 Zn\n0.354258 0.126719 0.563361 Zn\n0.552331 0.398374 0.796754 Zn\n0.552334 0.398377 0.601623 Zn\n0.552331 0.203246 0.601626 Zn\n0.447669 0.601626 0.203246 Zn\n0.447666 0.601623 0.398377 Zn\n0.447669 0.796754 0.398374 Zn\n0.052331 0.601626 0.203246 Zn\n0.052334 0.601623 0.398377 Zn\n0.052331 0.796754 0.398374 Zn\n0.947669 0.398374 0.796754 Zn\n0.947666 0.398377 0.601623 Zn\n0.947669 0.203246 0.601626 Zn\n0.160652 0.764101 0.528201 Zn\n0.160655 0.764102 0.235898 Zn\n0.160652 0.471799 0.235899 Zn\n0.839348 0.235899 0.471799 Zn\n0.839345 0.235898 0.764102 Zn\n0.839348 0.528201 0.764101 Zn\n0.660652 0.235899 0.471799 Zn\n0.660655 0.235898 0.764102 Zn\n0.660652 0.528201 0.764101 Zn\n0.339348 0.764101 0.528201 Zn\n0.339345 0.764102 0.235898 Zn\n0.339348 0.471799 0.235899 Zn\n0.604254 0.634437 0.963974 Zn\n0.604254 0.329536 0.365562 Zn\n0.604254 0.036023 0.670462 Zn\n0.604254 0.329538 0.963977 Zn\n0.604254 0.036026 0.365563 Zn\n0.604254 0.634438 0.670464 Zn\n0.395746 0.365563 0.036026 Zn\n0.395746 0.670464 0.634438 Zn\n0.395746 0.963977 0.329538 Zn\n0.395746 0.670462 0.036023 Zn\n0.395746 0.963974 0.634437 Zn\n0.395746 0.365562 0.329536 Zn\n0.104254 0.365563 0.036026 Zn\n0.104254 0.670464 0.634438 Zn\n0.104254 0.963977 0.329538 Zn\n0.104254 0.670462 0.036023 Zn\n0.104254 0.963974 0.634437 Zn\n0.104254 0.365562 0.329536 Zn\n0.895746 0.634437 0.963974 Zn\n0.895746 0.329536 0.365562 Zn\n0.895746 0.036023 0.670462 Zn\n0.895746 0.329538 0.963977 Zn\n0.895746 0.036026 0.365563 Zn\n0.895746 0.634438 0.670464 Zn\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 8.012247233407093,
"density_atomic": 0.056688322706127794,
"volume": 2504.9250572490537,
"volume_molar": 10.623247385918916,
"formula_full": "Yb26 Zn116",
"formula_reduced": "Yb13Zn58",
"formula_anonymous": "A13B58",
"energy": -226.78686732,
"energy_per_atom": -1.5970906149295774,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.78686732,
"band_gap": 0.0762,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013892,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.725000Z",
"spacegroup": 194
},
{
"id": "mp-581958",
"created_at": "2022-09-04T14:41:52.563554Z",
"structure_string": "Nd26 Cd116\n1.0\n15.977513 0.000000 0.000000\n-7.988757 13.836933 0.000000\n0.000000 0.000000 15.661938\nNd Cd\n26 116\ndirect\n0.410937 0.205468 0.552385 Nd\n0.871736 0.743473 0.250000 Nd\n0.205468 0.410937 0.052385 Nd\n0.086344 0.543172 0.750000 Nd\n0.794532 0.589063 0.947615 Nd\n0.794532 0.205468 0.552385 Nd\n0.913656 0.456828 0.250000 Nd\n0.794532 0.205468 0.947615 Nd\n0.794532 0.589063 0.552385 Nd\n0.456828 0.913656 0.750000 Nd\n0.128264 0.871736 0.750000 Nd\n0.871736 0.128264 0.250000 Nd\n0.589063 0.794532 0.052385 Nd\n0.589063 0.794532 0.447615 Nd\n0.205468 0.794532 0.447615 Nd\n0.000000 0.000000 0.000000 Nd\n0.456828 0.543172 0.750000 Nd\n0.543172 0.086344 0.250000 Nd\n0.128264 0.256527 0.750000 Nd\n0.743473 0.871736 0.750000 Nd\n0.205468 0.410937 0.447615 Nd\n0.410937 0.205468 0.947615 Nd\n0.000000 0.000000 0.500000 Nd\n0.256527 0.128264 0.250000 Nd\n0.205468 0.794532 0.052385 Nd\n0.543172 0.456828 0.250000 Nd\n0.907463 0.092537 0.655696 Cd\n0.000000 0.198992 0.000000 Cd\n0.634960 0.963931 0.602524 Cd\n0.365040 0.328971 0.397476 Cd\n0.671029 0.634960 0.102524 Cd\n0.600311 0.399689 0.051928 Cd\n0.634960 0.671029 0.897476 Cd\n0.963931 0.634960 0.102524 Cd\n0.200621 0.600311 0.948072 Cd\n0.092537 0.907463 0.344304 Cd\n0.561261 0.122523 0.645430 Cd\n0.814925 0.907463 0.344304 Cd\n0.732659 0.267341 0.750000 Cd\n0.438739 0.877477 0.354570 Cd\n0.328971 0.365040 0.897476 Cd\n0.036069 0.671029 0.897476 Cd\n0.530256 0.765128 0.841578 Cd\n0.801008 0.801008 0.000000 Cd\n0.365040 0.036069 0.397476 Cd\n0.000000 0.198992 0.500000 Cd\n0.918208 0.641660 0.750000 Cd\n0.198992 0.198992 0.500000 Cd\n0.671029 0.036069 0.102524 Cd\n0.600311 0.399689 0.448072 Cd\n0.765128 0.530256 0.341578 Cd\n0.765128 0.530256 0.158422 Cd\n0.963931 0.328971 0.102524 Cd\n0.666667 0.333333 0.595390 Cd\n0.276548 0.918208 0.250000 Cd\n0.469744 0.234872 0.341578 Cd\n0.036069 0.365040 0.602524 Cd\n0.333333 0.666667 0.750000 Cd\n0.723452 0.081792 0.750000 Cd\n0.036069 0.365040 0.897476 Cd\n0.801008 0.000000 0.500000 Cd\n0.600311 0.200621 0.448072 Cd\n0.671029 0.036069 0.397476 Cd\n0.358340 0.081792 0.750000 Cd\n0.918208 0.276548 0.750000 Cd\n0.000000 0.801008 0.000000 Cd\n0.438739 0.561261 0.145430 Cd\n0.122523 0.561261 0.354570 Cd\n0.500000 0.000000 0.500000 Cd\n0.907463 0.814925 0.844304 Cd\n0.092537 0.185075 0.155696 Cd\n0.036069 0.671029 0.602524 Cd\n0.328971 0.365040 0.602524 Cd\n0.561261 0.122523 0.854570 Cd\n0.200621 0.600311 0.551928 Cd\n0.634960 0.671029 0.602524 Cd\n0.438739 0.561261 0.354570 Cd\n0.000000 0.000000 0.250000 Cd\n0.600311 0.200621 0.051928 Cd\n0.799379 0.399689 0.448072 Cd\n0.732659 0.465317 0.750000 Cd\n0.399689 0.799379 0.948072 Cd\n0.666667 0.333333 0.904610 Cd\n0.234872 0.469744 0.841578 Cd\n0.765128 0.234872 0.158422 Cd\n0.276548 0.358340 0.250000 Cd\n0.399689 0.600311 0.551928 Cd\n0.365040 0.036069 0.102524 Cd\n0.765128 0.234872 0.341578 Cd\n0.814925 0.907463 0.155696 Cd\n0.328971 0.963931 0.897476 Cd\n0.877477 0.438739 0.854570 Cd\n0.907463 0.814925 0.655696 Cd\n0.122523 0.561261 0.145430 Cd\n0.963931 0.328971 0.397476 Cd\n0.641660 0.723452 0.250000 Cd\n0.561261 0.438739 0.854570 Cd\n0.469744 0.234872 0.158422 Cd\n0.801008 0.801008 0.500000 Cd\n0.000000 0.000000 0.750000 Cd\n0.185075 0.092537 0.655696 Cd\n0.198992 0.198992 0.000000 Cd\n0.198992 0.000000 0.500000 Cd\n0.081792 0.358340 0.250000 Cd\n0.671029 0.634960 0.397476 Cd\n0.530256 0.765128 0.658422 Cd\n0.799379 0.399689 0.051928 Cd\n0.365040 0.328971 0.102524 Cd\n0.234872 0.765128 0.841578 Cd\n0.666667 0.333333 0.250000 Cd\n0.438739 0.877477 0.145430 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.234872 0.765128 0.658422 Cd\n0.333333 0.666667 0.404610 Cd\n0.198992 0.000000 0.000000 Cd\n0.081792 0.723452 0.250000 Cd\n0.000000 0.801008 0.500000 Cd\n0.634960 0.963931 0.897476 Cd\n0.500000 0.500000 0.500000 Cd\n0.185075 0.092537 0.844304 Cd\n0.534683 0.267341 0.750000 Cd\n0.092537 0.907463 0.155696 Cd\n0.907463 0.092537 0.844304 Cd\n0.561261 0.438739 0.645430 Cd\n0.358340 0.276548 0.750000 Cd\n0.267341 0.732659 0.250000 Cd\n0.963931 0.634960 0.397476 Cd\n0.333333 0.666667 0.095390 Cd\n0.267341 0.534683 0.250000 Cd\n0.801008 0.000000 0.000000 Cd\n0.641660 0.918208 0.250000 Cd\n0.500000 0.000000 0.000000 Cd\n0.877477 0.438739 0.645430 Cd\n0.328971 0.963931 0.602524 Cd\n0.000000 0.500000 0.000000 Cd\n0.092537 0.185075 0.344304 Cd\n0.399689 0.600311 0.948072 Cd\n0.234872 0.469744 0.658422 Cd\n0.723452 0.641660 0.750000 Cd\n0.399689 0.799379 0.551928 Cd\n0.465317 0.732659 0.250000 Cd\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Nd",
"Cd"
],
"chemical_system": "Cd-Nd",
"density": 8.052012637600848,
"density_atomic": 0.04101038310543387,
"volume": 3462.5377586678783,
"volume_molar": 14.684429415149912,
"formula_full": "Nd26 Cd116",
"formula_reduced": "Nd13Cd58",
"formula_anonymous": "A13B58",
"energy": -266.3671589,
"energy_per_atom": -1.8758250626760562,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -266.3671589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.06e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.197000Z",
"spacegroup": 194
},
{
"id": "mp-1205088",
"created_at": "2022-09-04T14:42:23.308558Z",
"structure_string": "La26 Hg116\n1.0\n0.000000 0.000000 -15.833039\n-8.183874 -14.174713 0.000000\n-8.183874 14.174713 0.000000\nLa Hg\n26 116\ndirect\n0.500000 0.000000 -0.000000 La\n-0.000000 0.000000 -0.000000 La\n0.750000 0.456060 0.912120 La\n0.750000 0.456064 0.543936 La\n0.750000 0.087880 0.543940 La\n0.250000 0.543940 0.087880 La\n0.250000 0.543936 0.456064 La\n0.250000 0.912120 0.456060 La\n0.750000 0.125732 0.251460 La\n0.750000 0.125721 0.874279 La\n0.750000 0.748540 0.874268 La\n0.250000 0.874268 0.748540 La\n0.250000 0.874279 0.125721 La\n0.250000 0.251460 0.125732 La\n0.554182 0.794203 0.588412 La\n0.554201 0.794204 0.205796 La\n0.554182 0.411588 0.205797 La\n0.445818 0.205797 0.411588 La\n0.445799 0.205796 0.794204 La\n0.445818 0.588412 0.794203 La\n0.054182 0.205797 0.411588 La\n0.054201 0.205796 0.794204 La\n0.054182 0.588412 0.794203 La\n0.945818 0.794203 0.588412 La\n0.945799 0.794204 0.205796 La\n0.945818 0.411588 0.205797 La\n0.750000 0.999998 0.000002 Hg\n0.250000 0.000002 0.999998 Hg\n0.250000 0.666673 0.333327 Hg\n0.750000 0.333327 0.666673 Hg\n0.592256 0.666679 0.333321 Hg\n0.407744 0.333321 0.666679 Hg\n0.092256 0.333321 0.666679 Hg\n0.907744 0.666679 0.333321 Hg\n0.500000 0.500000 -0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n-0.000000 0.000000 0.500000 Hg\n0.750000 0.732958 0.465919 Hg\n0.750000 0.732967 0.267033 Hg\n0.750000 0.534081 0.267042 Hg\n0.250000 0.267042 0.534081 Hg\n0.250000 0.267033 0.732967 Hg\n0.250000 0.465919 0.732958 Hg\n0.499999 0.801521 0.000001 Hg\n0.500000 0.198481 0.198481 Hg\n0.500001 0.000001 0.801521 Hg\n0.500001 0.198479 0.999999 Hg\n0.499999 0.999999 0.198479 Hg\n0.500000 0.801519 0.801519 Hg\n0.999999 0.198479 0.999999 Hg\n-0.000000 0.801519 0.801519 Hg\n0.000001 0.999999 0.198479 Hg\n0.000001 0.801521 0.000001 Hg\n0.999999 0.000001 0.801521 Hg\n-0.000000 0.198481 0.198481 Hg\n0.750000 0.921149 0.645676 Hg\n0.750000 0.724528 0.078843 Hg\n0.750000 0.354321 0.275473 Hg\n0.750000 0.724527 0.645679 Hg\n0.750000 0.354324 0.078851 Hg\n0.750000 0.921157 0.275472 Hg\n0.250000 0.078851 0.354324 Hg\n0.250000 0.275472 0.921157 Hg\n0.250000 0.645679 0.724527 Hg\n0.250000 0.275473 0.354321 Hg\n0.250000 0.645676 0.921149 Hg\n0.250000 0.078843 0.724528 Hg\n0.656716 0.906605 0.813209 Hg\n0.656718 0.906604 0.093396 Hg\n0.656716 0.186791 0.093395 Hg\n0.343284 0.093395 0.186791 Hg\n0.343282 0.093396 0.906604 Hg\n0.343284 0.813209 0.906605 Hg\n0.156716 0.093395 0.186791 Hg\n0.156718 0.093396 0.906604 Hg\n0.156716 0.813209 0.906605 Hg\n0.843284 0.906605 0.813209 Hg\n0.843282 0.906604 0.093396 Hg\n0.843284 0.186791 0.093395 Hg\n0.148122 0.440060 0.880122 Hg\n0.148115 0.440058 0.559942 Hg\n0.148122 0.119878 0.559940 Hg\n0.851878 0.559940 0.119878 Hg\n0.851885 0.559942 0.440058 Hg\n0.851878 0.880122 0.440060 Hg\n0.648122 0.559940 0.119878 Hg\n0.648115 0.559942 0.440058 Hg\n0.648122 0.880122 0.440060 Hg\n0.351878 0.440060 0.880122 Hg\n0.351885 0.440058 0.559942 Hg\n0.351878 0.119878 0.559940 Hg\n0.557254 0.399137 0.798279 Hg\n0.557242 0.399133 0.600867 Hg\n0.557254 0.201721 0.600863 Hg\n0.442746 0.600863 0.201721 Hg\n0.442758 0.600867 0.399133 Hg\n0.442746 0.798279 0.399137 Hg\n0.057254 0.600863 0.201721 Hg\n0.057242 0.600867 0.399133 Hg\n0.057254 0.798279 0.399137 Hg\n0.942746 0.399137 0.798279 Hg\n0.942758 0.399133 0.600867 Hg\n0.942746 0.201721 0.600863 Hg\n0.158392 0.767916 0.535836 Hg\n0.158391 0.767923 0.232077 Hg\n0.158392 0.464164 0.232084 Hg\n0.841608 0.232084 0.464164 Hg\n0.841609 0.232077 0.767923 Hg\n0.841608 0.535836 0.767916 Hg\n0.658392 0.232084 0.464164 Hg\n0.658391 0.232077 0.767923 Hg\n0.658392 0.535836 0.767916 Hg\n0.341608 0.767916 0.535836 Hg\n0.341609 0.767923 0.232077 Hg\n0.341608 0.464164 0.232084 Hg\n0.603001 0.636806 0.962936 Hg\n0.603000 0.326138 0.363198 Hg\n0.603000 0.037058 0.673862 Hg\n0.603000 0.326138 0.962942 Hg\n0.603001 0.037064 0.363194 Hg\n0.603000 0.636802 0.673862 Hg\n0.396999 0.363194 0.037064 Hg\n0.397000 0.673862 0.636802 Hg\n0.397000 0.962942 0.326138 Hg\n0.397000 0.673862 0.037058 Hg\n0.396999 0.962936 0.636806 Hg\n0.397000 0.363198 0.326138 Hg\n0.103001 0.363194 0.037064 Hg\n0.103000 0.673862 0.636802 Hg\n0.103000 0.962942 0.326138 Hg\n0.103000 0.673862 0.037058 Hg\n0.103001 0.962936 0.636806 Hg\n0.103000 0.363198 0.326138 Hg\n0.896999 0.636806 0.962936 Hg\n0.897000 0.326138 0.363198 Hg\n0.897000 0.037058 0.673862 Hg\n0.897000 0.326138 0.962942 Hg\n0.896999 0.037064 0.363194 Hg\n0.897000 0.636802 0.673862 Hg\n",
"nsites": 142,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 12.150959930956418,
"density_atomic": 0.038656351224346325,
"volume": 3673.3937762487617,
"volume_molar": 15.578658019350694,
"formula_full": "La26 Hg116",
"formula_reduced": "La13Hg58",
"formula_anonymous": "A13B58",
"energy": -204.01957783,
"energy_per_atom": -1.4367575903521126,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.01957783,
"band_gap": 0.0858999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.270000Z",
"spacegroup": 194
},
{
"id": "mp-1199288",
"created_at": "2022-09-04T14:44:13.400949Z",
"structure_string": "Sr26 Hg116\n1.0\n0.000000 -0.000000 -15.774717\n-8.538670 -14.789406 0.000000\n-8.538670 14.789406 -0.000000\nSr Hg\n26 116\ndirect\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 -0.000000 -0.000000 Sr\n0.750000 0.459304 0.918605 Sr\n0.750000 0.459304 0.540696 Sr\n0.750000 0.081395 0.540696 Sr\n0.250000 0.540696 0.081395 Sr\n0.250000 0.540696 0.459304 Sr\n0.250000 0.918605 0.459304 Sr\n0.750000 0.124795 0.249589 Sr\n0.750000 0.124791 0.875209 Sr\n0.750000 0.750411 0.875205 Sr\n0.250000 0.875205 0.750411 Sr\n0.250000 0.875209 0.124791 Sr\n0.250000 0.249589 0.124795 Sr\n0.557441 0.792370 0.584742 Sr\n0.557438 0.792373 0.207627 Sr\n0.557441 0.415258 0.207629 Sr\n0.442559 0.207629 0.415258 Sr\n0.442562 0.207627 0.792373 Sr\n0.442559 0.584742 0.792370 Sr\n0.057441 0.207629 0.415258 Sr\n0.057438 0.207627 0.792373 Sr\n0.057441 0.584742 0.792370 Sr\n0.942559 0.792370 0.584742 Sr\n0.942562 0.792373 0.207627 Sr\n0.942559 0.415258 0.207629 Sr\n0.750000 1.000000 0.000000 Hg\n0.250000 0.000000 1.000000 Hg\n0.250000 0.666666 0.333334 Hg\n0.750000 0.333334 0.666666 Hg\n0.592468 0.666672 0.333328 Hg\n0.407532 0.333328 0.666672 Hg\n0.092468 0.333328 0.666672 Hg\n0.907532 0.666672 0.333328 Hg\n0.500000 0.500000 -0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 -0.000000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n-0.000000 -0.000000 0.500000 Hg\n0.750000 0.733849 0.467699 Hg\n0.750000 0.733853 0.266147 Hg\n0.750000 0.532301 0.266151 Hg\n0.250000 0.266151 0.532301 Hg\n0.250000 0.266147 0.733853 Hg\n0.250000 0.467699 0.733849 Hg\n0.500000 0.800588 0.999999 Hg\n0.500000 0.199412 0.199412 Hg\n0.500000 0.999999 0.800588 Hg\n0.500000 0.199412 0.000001 Hg\n0.500000 0.000001 0.199412 Hg\n0.500000 0.800588 0.800588 Hg\n0.000000 0.199412 0.000001 Hg\n-0.000000 0.800588 0.800588 Hg\n-0.000000 0.000001 0.199412 Hg\n-0.000000 0.800588 0.999999 Hg\n0.000000 0.999999 0.800588 Hg\n-0.000000 0.199412 0.199412 Hg\n0.750000 0.920466 0.648578 Hg\n0.750000 0.728115 0.079530 Hg\n0.750000 0.351420 0.271889 Hg\n0.750000 0.728111 0.648580 Hg\n0.750000 0.351422 0.079534 Hg\n0.750000 0.920470 0.271885 Hg\n0.250000 0.079534 0.351422 Hg\n0.250000 0.271885 0.920470 Hg\n0.250000 0.648580 0.728111 Hg\n0.250000 0.271889 0.351420 Hg\n0.250000 0.648578 0.920466 Hg\n0.250000 0.079530 0.728115 Hg\n0.655961 0.906854 0.813708 Hg\n0.655961 0.906853 0.093147 Hg\n0.655961 0.186292 0.093146 Hg\n0.344039 0.093146 0.186292 Hg\n0.344039 0.093147 0.906853 Hg\n0.344039 0.813708 0.906854 Hg\n0.155961 0.093146 0.186292 Hg\n0.155961 0.093147 0.906853 Hg\n0.155961 0.813708 0.906854 Hg\n0.844039 0.906854 0.813708 Hg\n0.844039 0.906853 0.093147 Hg\n0.844039 0.186292 0.093146 Hg\n0.648568 0.562215 0.124429 Hg\n0.648566 0.562218 0.437782 Hg\n0.648568 0.875571 0.437785 Hg\n0.351432 0.437785 0.875571 Hg\n0.351434 0.437782 0.562218 Hg\n0.351432 0.124429 0.562215 Hg\n0.148568 0.437785 0.875571 Hg\n0.148566 0.437782 0.562218 Hg\n0.148568 0.124429 0.562215 Hg\n0.851432 0.562215 0.124429 Hg\n0.851434 0.562218 0.437782 Hg\n0.851432 0.875571 0.437785 Hg\n0.555874 0.400100 0.800207 Hg\n0.555864 0.400100 0.599900 Hg\n0.555874 0.199793 0.599900 Hg\n0.444126 0.599900 0.199793 Hg\n0.444136 0.599900 0.400100 Hg\n0.444126 0.800207 0.400100 Hg\n0.055874 0.599900 0.199793 Hg\n0.055864 0.599900 0.400100 Hg\n0.055874 0.800207 0.400100 Hg\n0.944126 0.400100 0.800207 Hg\n0.944136 0.400100 0.599900 Hg\n0.944126 0.199793 0.599900 Hg\n0.659680 0.234099 0.468194 Hg\n0.659681 0.234095 0.765905 Hg\n0.659680 0.531806 0.765901 Hg\n0.340320 0.765901 0.531806 Hg\n0.340319 0.765905 0.234095 Hg\n0.340320 0.468194 0.234099 Hg\n0.159680 0.765901 0.531806 Hg\n0.159681 0.765905 0.234095 Hg\n0.159680 0.468194 0.234099 Hg\n0.840320 0.234099 0.468194 Hg\n0.840319 0.234095 0.765905 Hg\n0.840320 0.531806 0.765901 Hg\n0.605097 0.634941 0.960312 Hg\n0.605095 0.325375 0.365061 Hg\n0.605096 0.039685 0.674627 Hg\n0.605096 0.325373 0.960315 Hg\n0.605097 0.039688 0.365059 Hg\n0.605095 0.634939 0.674625 Hg\n0.394903 0.365059 0.039688 Hg\n0.394905 0.674625 0.634939 Hg\n0.394904 0.960315 0.325373 Hg\n0.394904 0.674627 0.039685 Hg\n0.394903 0.960312 0.634941 Hg\n0.394905 0.365061 0.325375 Hg\n0.105097 0.365059 0.039688 Hg\n0.105095 0.674625 0.634939 Hg\n0.105096 0.960315 0.325373 Hg\n0.105096 0.674627 0.039685 Hg\n0.105097 0.960312 0.634941 Hg\n0.105095 0.365061 0.325375 Hg\n0.894903 0.634941 0.960312 Hg\n0.894905 0.325375 0.365061 Hg\n0.894904 0.039685 0.674627 Hg\n0.894904 0.325373 0.960315 Hg\n0.894903 0.039688 0.365059 Hg\n0.894905 0.634939 0.674625 Hg\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 10.647532940173255,
"density_atomic": 0.035641486693769625,
"volume": 3984.1211232308824,
"volume_molar": 16.896435358440623,
"formula_full": "Sr26 Hg116",
"formula_reduced": "Sr13Hg58",
"formula_anonymous": "A13B58",
"energy": -120.05681049,
"energy_per_atom": -0.8454704964084507,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.05681049,
"band_gap": 0.0032,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.2929309,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.247000Z",
"spacegroup": 194
},
{
"id": "mp-581655",
"created_at": "2022-09-04T14:42:49.167765Z",
"structure_string": "Pr26 Cd116\n1.0\n16.029197 0.000000 0.000000\n-8.014599 13.881692 0.000000\n0.000000 0.000000 15.694102\nPr Cd\n26 116\ndirect\n0.410977 0.205489 0.552127 Pr\n0.871864 0.743728 0.250000 Pr\n0.205489 0.410977 0.052127 Pr\n0.085624 0.542812 0.750000 Pr\n0.794511 0.589023 0.947873 Pr\n0.794511 0.205489 0.552127 Pr\n0.914376 0.457188 0.250000 Pr\n0.794511 0.205489 0.947873 Pr\n0.794511 0.589023 0.552127 Pr\n0.457188 0.914376 0.750000 Pr\n0.128136 0.871864 0.750000 Pr\n0.871864 0.128136 0.250000 Pr\n0.589023 0.794511 0.052127 Pr\n0.589023 0.794511 0.447873 Pr\n0.205489 0.794511 0.447873 Pr\n0.000000 0.000000 0.000000 Pr\n0.457188 0.542812 0.750000 Pr\n0.542812 0.085624 0.250000 Pr\n0.128136 0.256272 0.750000 Pr\n0.743728 0.871864 0.750000 Pr\n0.205489 0.410977 0.447873 Pr\n0.410977 0.205489 0.947873 Pr\n0.000000 0.000000 0.500000 Pr\n0.256272 0.128136 0.250000 Pr\n0.205489 0.794511 0.052127 Pr\n0.542812 0.457188 0.250000 Pr\n0.906823 0.093177 0.655881 Cd\n0.000000 0.199283 0.000000 Cd\n0.634877 0.964021 0.602662 Cd\n0.365123 0.329144 0.397338 Cd\n0.670856 0.634877 0.102662 Cd\n0.600331 0.399669 0.052315 Cd\n0.634877 0.670856 0.897338 Cd\n0.964021 0.634877 0.102662 Cd\n0.200663 0.600331 0.947685 Cd\n0.093177 0.906823 0.344119 Cd\n0.561756 0.123512 0.644660 Cd\n0.813645 0.906823 0.344119 Cd\n0.732176 0.267824 0.750000 Cd\n0.438244 0.876488 0.355340 Cd\n0.329144 0.365123 0.897338 Cd\n0.035979 0.670856 0.897338 Cd\n0.530032 0.765016 0.841537 Cd\n0.800717 0.800717 0.000000 Cd\n0.365123 0.035979 0.397338 Cd\n0.000000 0.199283 0.500000 Cd\n0.917670 0.639901 0.750000 Cd\n0.199283 0.199283 0.500000 Cd\n0.670856 0.035979 0.102662 Cd\n0.600331 0.399669 0.447685 Cd\n0.765016 0.530032 0.341537 Cd\n0.765016 0.530032 0.158463 Cd\n0.964021 0.329144 0.102662 Cd\n0.666667 0.333333 0.594819 Cd\n0.277769 0.917670 0.250000 Cd\n0.469968 0.234984 0.341537 Cd\n0.035979 0.365123 0.602662 Cd\n0.333333 0.666667 0.750000 Cd\n0.722231 0.082330 0.750000 Cd\n0.035979 0.365123 0.897338 Cd\n0.800717 0.000000 0.500000 Cd\n0.600331 0.200663 0.447685 Cd\n0.670856 0.035979 0.397338 Cd\n0.360099 0.082330 0.750000 Cd\n0.917670 0.277769 0.750000 Cd\n0.000000 0.800717 0.000000 Cd\n0.438244 0.561756 0.144660 Cd\n0.123512 0.561756 0.355340 Cd\n0.500000 0.000000 0.500000 Cd\n0.906823 0.813645 0.844119 Cd\n0.093177 0.186355 0.155881 Cd\n0.035979 0.670856 0.602662 Cd\n0.329144 0.365123 0.602662 Cd\n0.561756 0.123512 0.855340 Cd\n0.200663 0.600331 0.552315 Cd\n0.634877 0.670856 0.602662 Cd\n0.438244 0.561756 0.355340 Cd\n0.000000 0.000000 0.250000 Cd\n0.600331 0.200663 0.052315 Cd\n0.799337 0.399669 0.447685 Cd\n0.732176 0.464352 0.750000 Cd\n0.399669 0.799337 0.947685 Cd\n0.666667 0.333333 0.905181 Cd\n0.234984 0.469968 0.841537 Cd\n0.765016 0.234984 0.158463 Cd\n0.277769 0.360099 0.250000 Cd\n0.399669 0.600331 0.552315 Cd\n0.365123 0.035979 0.102662 Cd\n0.765016 0.234984 0.341537 Cd\n0.813645 0.906823 0.155881 Cd\n0.329144 0.964021 0.897338 Cd\n0.876488 0.438244 0.855340 Cd\n0.906823 0.813645 0.655881 Cd\n0.123512 0.561756 0.144660 Cd\n0.964021 0.329144 0.397338 Cd\n0.639901 0.722231 0.250000 Cd\n0.561756 0.438244 0.855340 Cd\n0.469968 0.234984 0.158463 Cd\n0.800717 0.800717 0.500000 Cd\n0.000000 0.000000 0.750000 Cd\n0.186355 0.093177 0.655881 Cd\n0.199283 0.199283 0.000000 Cd\n0.199283 0.000000 0.500000 Cd\n0.082330 0.360099 0.250000 Cd\n0.670856 0.634877 0.397338 Cd\n0.530032 0.765016 0.658463 Cd\n0.799337 0.399669 0.052315 Cd\n0.365123 0.329144 0.102662 Cd\n0.234984 0.765016 0.841537 Cd\n0.666667 0.333333 0.250000 Cd\n0.438244 0.876488 0.144660 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.234984 0.765016 0.658463 Cd\n0.333333 0.666667 0.405181 Cd\n0.199283 0.000000 0.000000 Cd\n0.082330 0.722231 0.250000 Cd\n0.000000 0.800717 0.500000 Cd\n0.634877 0.964021 0.897338 Cd\n0.500000 0.500000 0.500000 Cd\n0.186355 0.093177 0.844119 Cd\n0.535648 0.267824 0.750000 Cd\n0.093177 0.906823 0.155881 Cd\n0.906823 0.093177 0.844119 Cd\n0.561756 0.438244 0.644660 Cd\n0.360099 0.277769 0.750000 Cd\n0.267824 0.732176 0.250000 Cd\n0.964021 0.634877 0.397338 Cd\n0.333333 0.666667 0.094819 Cd\n0.267824 0.535648 0.250000 Cd\n0.800717 0.000000 0.000000 Cd\n0.639901 0.917670 0.250000 Cd\n0.500000 0.000000 0.000000 Cd\n0.876488 0.438244 0.644660 Cd\n0.329144 0.964021 0.602662 Cd\n0.000000 0.500000 0.000000 Cd\n0.093177 0.186355 0.344119 Cd\n0.399669 0.600331 0.947685 Cd\n0.234984 0.469968 0.658463 Cd\n0.722231 0.639901 0.750000 Cd\n0.399669 0.799337 0.552315 Cd\n0.464352 0.732176 0.250000 Cd\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr",
"density": 7.942552324887182,
"density_atomic": 0.040662839547198446,
"volume": 3492.1319214605464,
"volume_molar": 14.809936608115969,
"formula_full": "Pr26 Cd116",
"formula_reduced": "Pr13Cd58",
"formula_anonymous": "A13B58",
"energy": -267.86319608,
"energy_per_atom": -1.886360535774648,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.86319608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.06e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52Z",
"spacegroup": 194
},
{
"id": "mp-568360",
"created_at": "2022-09-04T14:40:12.988271Z",
"structure_string": "Ce26 Zn116\n1.0\n14.560283 0.000000 0.000000\n-7.280142 12.609575 0.000000\n0.000000 0.000000 14.007479\nCe Zn\n26 116\ndirect\n0.794891 0.589781 0.948650 Ce\n0.410219 0.205109 0.551350 Ce\n0.082588 0.541294 0.750000 Ce\n0.205109 0.794891 0.448650 Ce\n0.205109 0.410219 0.448650 Ce\n0.872570 0.127430 0.250000 Ce\n0.205109 0.794891 0.051350 Ce\n0.541294 0.458706 0.250000 Ce\n0.127430 0.872570 0.750000 Ce\n0.127430 0.254860 0.750000 Ce\n0.410219 0.205109 0.948650 Ce\n0.794891 0.589781 0.551350 Ce\n0.872570 0.745140 0.250000 Ce\n0.794891 0.205109 0.551350 Ce\n0.589781 0.794891 0.051350 Ce\n0.917412 0.458706 0.250000 Ce\n0.254860 0.127430 0.250000 Ce\n0.000000 0.000000 0.500000 Ce\n0.458706 0.917412 0.750000 Ce\n0.205109 0.410219 0.051350 Ce\n0.745140 0.872570 0.750000 Ce\n0.541294 0.082588 0.250000 Ce\n0.458706 0.541294 0.750000 Ce\n0.000000 0.000000 0.000000 Ce\n0.589781 0.794891 0.448650 Ce\n0.794891 0.205109 0.948650 Ce\n0.474061 0.237030 0.157854 Zn\n0.964997 0.634420 0.397387 Zn\n0.201482 0.000000 0.000000 Zn\n0.730858 0.461716 0.750000 Zn\n0.333333 0.666667 0.097344 Zn\n0.905328 0.094672 0.843739 Zn\n0.718855 0.634469 0.750000 Zn\n0.035002 0.365580 0.897387 Zn\n0.762970 0.237030 0.342146 Zn\n0.365531 0.281145 0.750000 Zn\n0.128727 0.564363 0.142834 Zn\n0.905328 0.810655 0.843739 Zn\n0.669422 0.634420 0.397387 Zn\n0.964997 0.330578 0.397387 Zn\n0.035002 0.669422 0.602613 Zn\n0.666667 0.333333 0.597344 Zn\n0.000000 0.500000 0.500000 Zn\n0.634420 0.669422 0.602613 Zn\n0.000000 0.798518 0.500000 Zn\n0.398321 0.796642 0.948934 Zn\n0.564363 0.435637 0.857166 Zn\n0.915615 0.634469 0.750000 Zn\n0.094672 0.189345 0.343739 Zn\n0.201482 0.201482 0.000000 Zn\n0.634469 0.718855 0.250000 Zn\n0.269142 0.730858 0.250000 Zn\n0.000000 0.798518 0.000000 Zn\n1.000000 0.201482 0.000000 Zn\n1.000000 0.201482 0.500000 Zn\n0.634420 0.964997 0.602613 Zn\n0.798518 0.798518 0.000000 Zn\n0.669422 0.035002 0.102613 Zn\n0.500000 0.000000 0.500000 Zn\n0.237030 0.474061 0.657854 Zn\n0.333333 0.666667 0.750000 Zn\n0.094672 0.189345 0.156261 Zn\n0.128727 0.564363 0.357166 Zn\n0.237030 0.474061 0.842146 Zn\n0.398321 0.796642 0.551066 Zn\n0.798518 0.798518 0.500000 Zn\n0.461716 0.730858 0.250000 Zn\n0.365580 0.035002 0.397387 Zn\n0.435637 0.871273 0.357166 Zn\n0.718855 0.084385 0.750000 Zn\n0.094672 0.905328 0.156261 Zn\n0.094672 0.905328 0.343739 Zn\n0.634420 0.669422 0.897387 Zn\n0.201482 0.201482 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.435637 0.564363 0.357166 Zn\n0.666667 0.333333 0.902656 Zn\n0.601679 0.398321 0.051066 Zn\n0.905328 0.810655 0.656261 Zn\n0.035002 0.365580 0.602613 Zn\n0.730858 0.269142 0.750000 Zn\n0.905328 0.094672 0.656261 Zn\n0.964997 0.634420 0.102613 Zn\n0.084385 0.365531 0.250000 Zn\n0.601679 0.203358 0.448934 Zn\n0.203358 0.601679 0.948934 Zn\n0.762970 0.525939 0.157854 Zn\n0.564363 0.435637 0.642834 Zn\n0.798518 0.000000 0.500000 Zn\n0.964997 0.330578 0.102613 Zn\n0.500000 0.000000 0.000000 Zn\n0.365580 0.330578 0.397387 Zn\n0.669422 0.634420 0.102613 Zn\n0.333333 0.666667 0.402656 Zn\n0.000000 0.000000 0.250000 Zn\n0.762970 0.525939 0.342146 Zn\n0.810655 0.905328 0.156261 Zn\n0.915615 0.281145 0.750000 Zn\n0.564363 0.128727 0.642834 Zn\n0.330578 0.964997 0.897387 Zn\n0.435637 0.564363 0.142834 Zn\n0.035002 0.669422 0.897387 Zn\n0.669422 0.035002 0.397387 Zn\n0.601679 0.398321 0.448934 Zn\n0.796642 0.398321 0.448934 Zn\n0.871273 0.435637 0.857166 Zn\n0.365531 0.084385 0.750000 Zn\n0.330578 0.365580 0.897387 Zn\n0.237030 0.762970 0.657854 Zn\n0.084385 0.718855 0.250000 Zn\n0.525939 0.762970 0.842146 Zn\n0.189345 0.094672 0.843739 Zn\n0.810655 0.905328 0.343739 Zn\n0.666667 0.333333 0.250000 Zn\n0.398321 0.601679 0.948934 Zn\n0.000000 0.000000 0.750000 Zn\n0.203358 0.601679 0.551066 Zn\n0.398321 0.601679 0.551066 Zn\n0.189345 0.094672 0.656261 Zn\n0.525939 0.762970 0.657854 Zn\n0.762970 0.237030 0.157854 Zn\n0.500000 0.500000 0.500000 Zn\n0.796642 0.398321 0.051066 Zn\n0.237030 0.762970 0.842146 Zn\n0.634469 0.915615 0.250000 Zn\n0.330578 0.365580 0.602613 Zn\n0.601679 0.203358 0.051066 Zn\n0.871273 0.435637 0.642834 Zn\n0.201482 0.000000 0.500000 Zn\n0.365580 0.035002 0.102613 Zn\n0.330578 0.964997 0.602613 Zn\n0.564363 0.128727 0.857166 Zn\n0.281145 0.915615 0.250000 Zn\n0.281145 0.365531 0.250000 Zn\n0.000000 0.500000 0.000000 Zn\n0.474061 0.237030 0.342146 Zn\n0.634420 0.964997 0.897387 Zn\n0.798518 0.000000 0.000000 Zn\n0.365580 0.330578 0.102613 Zn\n0.269142 0.538284 0.250000 Zn\n0.435637 0.871273 0.142834 Zn\n0.538284 0.269142 0.750000 Zn\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Ce",
"Zn"
],
"chemical_system": "Ce-Zn",
"density": 7.251308755100779,
"density_atomic": 0.05521513000018693,
"volume": 2571.758863911382,
"volume_molar": 10.906685830459175,
"formula_full": "Ce26 Zn116",
"formula_reduced": "Ce13Zn58",
"formula_anonymous": "A13B58",
"energy": -339.68832368999995,
"energy_per_atom": -2.392171293591549,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -339.68832368999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9683696,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.869000Z",
"spacegroup": 194
}
]
}