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{
"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,
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"formula_full": "Y26 Cd116",
"formula_reduced": "Y13Cd58",
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"energy": -303.92116917,
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"energy_uncorrected": -303.92116917,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.396000Z",
"spacegroup": 194
},
{
"id": "mp-758033",
"created_at": "2022-09-04T14:47:28.701835Z",
"structure_string": "Y13 Ho19 O48\n1.0\n9.226458 0.000000 0.000000\n3.077276 8.698020 0.000000\n0.001913 0.000090 15.066232\nY Ho O\n13 19 48\ndirect\n0.141091 0.141108 0.108907 Y\n0.999308 0.500742 0.999923 Y\n0.342447 0.407941 0.124997 Y\n0.249776 0.750180 0.250165 Y\n0.750053 0.249699 0.250020 Y\n0.000430 0.499490 0.500086 Y\n0.500738 0.999353 0.999921 Y\n0.157710 0.092274 0.874781 Y\n0.657651 0.592374 0.375005 Y\n0.250476 0.749553 0.749920 Y\n0.749612 0.250489 0.749961 Y\n0.499504 0.000383 0.500049 Y\n0.842409 0.907589 0.625001 Y\n0.157573 0.092326 0.375226 Ho\n0.765984 0.266480 0.016274 Ho\n0.016392 0.516774 0.266590 Ho\n0.358418 0.358398 0.391591 Ho\n0.108821 0.108889 0.641143 Ho\n0.608898 0.608850 0.141149 Ho\n0.733494 0.233514 0.483543 Ho\n0.483908 0.983473 0.233798 Ho\n0.842162 0.907421 0.125032 Ho\n0.342411 0.407609 0.625026 Ho\n0.266380 0.766306 0.516390 Ho\n0.516512 0.016514 0.766474 Ho\n0.391505 0.391501 0.858448 Ho\n0.891519 0.891575 0.358515 Ho\n0.641172 0.641151 0.608866 Ho\n0.983633 0.483624 0.733650 Ho\n0.233603 0.733244 0.983383 Ho\n0.657561 0.592360 0.874990 Ho\n0.858470 0.858473 0.891491 Ho\n0.223176 0.005792 0.235243 O\n0.091983 0.397011 0.135990 O\n0.392370 0.150293 0.120385 O\n0.108720 0.348349 0.379682 O\n0.599742 0.359013 0.129702 O\n0.406673 0.104718 0.364123 O\n0.266512 0.961521 0.005454 O\n0.354782 0.657729 0.113994 O\n0.713104 0.014870 0.255787 O\n0.276638 0.494743 0.266550 O\n0.243547 0.027321 0.515507 O\n0.906112 0.123546 0.135511 O\n0.743418 0.527445 0.015432 O\n0.126570 0.342601 0.614553 O\n0.626528 0.842539 0.114559 O\n0.592483 0.374493 0.364364 O\n0.145157 0.843260 0.386058 O\n0.234917 0.536916 0.494399 O\n0.787469 0.484506 0.243808 O\n0.999732 0.240821 0.770612 O\n0.499937 0.740640 0.270724 O\n0.490137 0.250403 0.521458 O\n0.990103 0.750540 0.021387 O\n0.901516 0.141359 0.370329 O\n0.008624 0.250737 0.978676 O\n0.509262 0.750267 0.479265 O\n0.499531 0.259792 0.728562 O\n0.099837 0.858707 0.629710 O\n0.999566 0.759935 0.228606 O\n0.854861 0.157605 0.613966 O\n0.765465 0.462493 0.506191 O\n0.213135 0.515006 0.755650 O\n0.375558 0.157407 0.885675 O\n0.875501 0.657442 0.385729 O\n0.407503 0.623464 0.635495 O\n0.722592 0.506476 0.734600 O\n0.755219 0.973443 0.483588 O\n0.092532 0.874379 0.864231 O\n0.255273 0.473308 0.983520 O\n0.645138 0.343385 0.885902 O\n0.592350 0.895227 0.636050 O\n0.287405 0.984618 0.743762 O\n0.734976 0.036863 0.994273 O\n0.891240 0.650196 0.620306 O\n0.401582 0.641222 0.870274 O\n0.608809 0.848318 0.879602 O\n0.906574 0.604767 0.863990 O\n0.776522 0.994857 0.766450 O\n",
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"elements": [
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"density": 6.945737137368954,
"density_atomic": 0.06616524504014615,
"volume": 1209.0939881120298,
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"formula_full": "Y13 Ho19 O48",
"formula_reduced": "Y13Ho19O48",
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"energy": -729.26216942,
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"updated_at": "2021-11-28T01:38:09.049000Z",
"spacegroup": 1
},
{
"id": "mp-765476",
"created_at": "2022-09-04T14:45:14.902071Z",
"structure_string": "Y13 Ho3 O24\n1.0\n9.257482 0.000000 0.000000\n-3.083971 8.729615 0.000000\n-3.085643 -4.364652 7.561592\nY Ho O\n13 3 24\ndirect\n0.031770 0.781562 0.749819 Y\n0.500259 0.000309 0.000481 Y\n0.217402 0.250331 0.967933 Y\n0.282445 0.749456 0.532099 Y\n0.250399 0.967795 0.217923 Y\n0.249615 0.467349 0.717296 Y\n0.999544 0.000118 0.499958 Y\n0.533107 0.282997 0.749637 Y\n0.467222 0.717405 0.250220 Y\n0.749868 0.532084 0.282476 Y\n0.749933 0.032748 0.782127 Y\n0.782580 0.749666 0.032046 Y\n0.967697 0.218081 0.250112 Y\n0.500167 0.499638 0.499920 Ho\n0.999845 0.499883 0.999414 Ho\n0.717415 0.250573 0.467780 Ho\n0.238436 0.511508 0.968792 O\n0.260446 0.729230 0.771798 O\n0.728505 0.957714 0.988587 O\n0.030844 0.760094 0.488615 O\n0.531419 0.542696 0.769537 O\n0.226856 0.738119 0.269501 O\n0.542681 0.769448 0.531282 O\n0.957398 0.988513 0.728363 O\n0.230574 0.468336 0.457369 O\n0.988872 0.726891 0.957449 O\n0.270896 0.228525 0.739748 O\n0.512972 0.970806 0.241990 O\n0.728830 0.771324 0.259845 O\n0.488675 0.031264 0.760110 O\n0.769395 0.529699 0.542249 O\n0.010851 0.273205 0.042371 O\n0.458548 0.230574 0.468634 O\n0.042716 0.011619 0.271930 O\n0.773001 0.261790 0.728903 O\n0.468527 0.457335 0.230429 O\n0.967687 0.239993 0.511324 O\n0.271434 0.042227 0.011317 O\n0.761703 0.488345 0.031181 O\n0.739467 0.270752 0.229433 O\n",
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"formula_full": "Y13 Ho3 O24",
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"energy": -375.821453,
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"spacegroup": 1
},
{
"id": "mp-680706",
"created_at": "2022-09-04T14:46:08.885922Z",
"structure_string": "Y26 Sn62 Pd80\n1.0\n20.213444 0.000000 0.000000\n-10.106722 17.505355 0.000000\n0.000000 0.000000 9.393005\nY Sn Pd\n26 62 80\ndirect\n0.576806 0.153613 0.500000 Y\n0.423194 0.576806 0.500000 Y\n0.846387 0.423194 0.500000 Y\n0.513817 0.756909 0.000000 Y\n0.729248 0.000000 0.710910 Y\n0.729248 0.000000 0.289090 Y\n0.243091 0.486183 0.000000 Y\n0.000000 0.000000 0.208675 Y\n0.270752 0.000000 0.289090 Y\n0.153613 0.576806 0.500000 Y\n0.243091 0.756909 0.000000 Y\n0.576806 0.423194 0.500000 Y\n0.729248 0.729248 0.710910 Y\n0.270752 0.270752 0.289090 Y\n0.270752 0.000000 0.710910 Y\n0.000000 0.729248 0.710910 Y\n0.000000 0.729248 0.289090 Y\n0.000000 0.270752 0.289090 Y\n0.756909 0.513817 0.000000 Y\n0.270752 0.270752 0.710910 Y\n0.756909 0.243091 0.000000 Y\n0.000000 0.270752 0.710910 Y\n0.729248 0.729248 0.289090 Y\n0.423194 0.846387 0.500000 Y\n0.486183 0.243091 0.000000 Y\n0.000000 0.000000 0.791325 Y\n0.822681 0.645362 0.768307 Sn\n0.607047 0.214095 0.813829 Sn\n0.607047 0.214095 0.186171 Sn\n0.392953 0.607047 0.186171 Sn\n0.125924 0.411320 0.500000 Sn\n0.000000 0.500000 0.739792 Sn\n0.177319 0.822681 0.231693 Sn\n0.354638 0.177319 0.231693 Sn\n0.500000 0.000000 0.260208 Sn\n0.000000 0.161989 0.000000 Sn\n0.285396 0.411320 0.500000 Sn\n0.822681 0.645362 0.231693 Sn\n0.714604 0.125924 0.500000 Sn\n0.161989 0.161989 0.000000 Sn\n0.588680 0.714604 0.500000 Sn\n0.214095 0.607047 0.186171 Sn\n0.854057 0.000000 0.500000 Sn\n0.000000 0.500000 0.260208 Sn\n0.333333 0.666667 0.500000 Sn\n0.607047 0.392953 0.186171 Sn\n0.838011 0.000000 0.000000 Sn\n0.854057 0.854057 0.500000 Sn\n0.822681 0.177319 0.231693 Sn\n0.645362 0.822681 0.768307 Sn\n0.607047 0.392953 0.813829 Sn\n0.145943 0.000000 0.500000 Sn\n0.666667 0.333333 0.500000 Sn\n0.411320 0.285396 0.500000 Sn\n0.500000 0.000000 0.739792 Sn\n0.354638 0.177319 0.768307 Sn\n0.785905 0.392953 0.186171 Sn\n1.000000 0.854057 0.500000 Sn\n1.000000 0.838011 0.000000 Sn\n0.145943 0.145943 0.500000 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