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{
"id": "jvasp-93909",
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"updated_at": "2022-09-04T14:36:32.706211Z",
"structure_string": "Pr2 Si2 Ge2\n1.0\n0.000000 -4.223814 0.000000\n-4.173494 0.000000 0.000000\n2.086746 2.111906 -7.710119\nPr Si Ge\n2 2 2\ndirect\n0.621404 0.371405 0.742812 Pr\n0.378594 0.628594 0.257188 Pr\n0.038349 0.788348 0.576699 Si\n0.961650 0.211650 0.423301 Si\n0.201719 0.951718 0.903440 Ge\n0.798280 0.048280 0.096560 Ge\n",
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{
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"structure_string": "Pr1 Si2 Cu2\n1.0\n3.859965 -0.000000 -1.463340\n-0.554763 3.819891 -1.463340\n-0.014328 -0.016560 5.784738\nPr Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.621614 0.621615 0.243230 Si\n0.378385 0.378385 0.756770 Si\n0.250000 0.750000 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n",
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{
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"structure_string": "Pr1 Si2 Au2\n1.0\n4.084367 0.000000 -1.588878\n-0.618097 4.037327 -1.588878\n-0.025977 -0.030256 5.977294\nPr Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.615619 0.615619 0.231237 Si\n0.384381 0.384381 0.768762 Si\n0.249999 0.750000 0.499999 Au\n0.750000 0.250000 0.499999 Au\n",
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{
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"created_at": "2022-09-04T14:35:59.283336Z",
"updated_at": "2022-09-04T14:35:59.283354Z",
"structure_string": "Pr1 Si2 Ag2\n1.0\n4.019015 0.000000 -1.481461\n-0.546086 3.981742 -1.481461\n-0.018219 -0.020888 6.142846\nPr Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.609847 0.609847 0.219693 Si\n0.390153 0.390152 0.780307 Si\n0.249999 0.749999 0.500000 Ag\n0.750001 0.250000 0.500000 Ag\n",
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},
{
"id": "jvasp-97772",
"created_at": "2022-09-04T14:36:20.088790Z",
"updated_at": "2022-09-04T14:36:20.088817Z",
"structure_string": "Pr8 Se8 O4\n1.0\n7.393712 0.000000 0.000000\n0.000000 7.292122 -1.310330\n0.000000 0.016567 8.921095\nPr Se O\n8 8 4\ndirect\n0.648334 0.826516 0.574755 Pr\n0.351666 0.173484 0.425246 Pr\n0.851666 0.326516 0.574755 Pr\n0.552966 0.752910 0.141887 Pr\n0.052967 0.747090 0.858113 Pr\n0.447033 0.247090 0.858114 Pr\n0.947033 0.252910 0.141887 Pr\n0.148334 0.673484 0.425246 Pr\n0.872445 0.929875 0.318906 Se\n0.221378 0.528873 0.078027 Se\n0.721378 0.971127 0.921974 Se\n0.127555 0.070125 0.681094 Se\n0.627555 0.429875 0.318906 Se\n0.372445 0.570125 0.681094 Se\n0.278622 0.028873 0.078027 Se\n0.778622 0.471128 0.921974 Se\n0.415055 0.850211 0.385863 O\n0.084945 0.350211 0.385863 O\n0.584945 0.149789 0.614138 O\n0.915055 0.649789 0.614138 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Pr8 Se8 O4",
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{
"id": "jvasp-2379",
"created_at": "2022-09-04T14:36:56.247136Z",
"updated_at": "2022-09-04T14:36:56.247151Z",
"structure_string": "Pr2 Se1 O2\n1.0\n2.022978 -3.503900 0.000000\n2.022978 3.503900 0.000000\n0.000000 0.000000 7.110545\nPr Se O\n2 1 2\ndirect\n0.333333 0.666667 0.287415 Pr\n0.666667 0.333333 0.712584 Pr\n0.000000 0.000000 0.000000 Se\n0.666667 0.333333 0.373954 O\n0.333333 0.666667 0.626045 O\n",
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"formula_full": "Pr2 Se1 O2",
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{
"id": "jvasp-95287",
"created_at": "2022-09-04T14:36:06.714381Z",
"updated_at": "2022-09-04T14:36:06.714410Z",
"structure_string": "Pr8 Se8 O4\n1.0\n7.393052 0.000000 0.000000\n0.000000 7.284763 -1.304019\n0.000000 0.023162 8.914921\nPr Se O\n8 8 4\ndirect\n0.647456 0.825573 0.575192 Pr\n0.352544 0.174426 0.424807 Pr\n0.852544 0.325573 0.575192 Pr\n0.553255 0.753004 0.141583 Pr\n0.053255 0.746996 0.858417 Pr\n0.446745 0.246996 0.858417 Pr\n0.946745 0.253004 0.141583 Pr\n0.147456 0.674426 0.424807 Pr\n0.871190 0.930876 0.319386 Se\n0.221733 0.528810 0.078172 Se\n0.721733 0.971189 0.921828 Se\n0.128809 0.069123 0.680614 Se\n0.628809 0.430877 0.319386 Se\n0.371190 0.569123 0.680614 Se\n0.278267 0.028810 0.078172 Se\n0.778266 0.471189 0.921828 Se\n0.414756 0.850250 0.385737 O\n0.085244 0.350250 0.385737 O\n0.585244 0.149749 0.614263 O\n0.914755 0.649749 0.614263 O\n",
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"density_atomic": 0.04163622762887264,
"volume": 480.35091407106734,
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"formula_full": "Pr8 Se8 O4",
"formula_reduced": "Pr2Se2O",
"formula_anonymous": "AB2C2",
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"spacegroup": 14
},
{
"id": "jvasp-13157",
"created_at": "2022-09-04T14:36:51.342124Z",
"updated_at": "2022-09-04T14:36:51.342152Z",
"structure_string": "Pr8 Se6 N4\n1.0\n6.507497 -0.019315 -0.014679\n-0.021884 8.132406 2.081127\n-0.031811 -0.010454 8.394431\nPr Se N\n8 6 4\ndirect\n0.969724 0.308248 0.942716 Pr\n0.030277 0.691754 0.057284 Pr\n0.469724 0.942717 0.308247 Pr\n0.929947 0.745102 0.584272 Pr\n0.570055 0.415728 0.254899 Pr\n0.070055 0.254900 0.415728 Pr\n0.429946 0.584273 0.745100 Pr\n0.530277 0.057284 0.691753 Pr\n0.465392 0.245453 0.984194 Se\n0.250001 0.596318 0.403683 Se\n0.534609 0.754549 0.015806 Se\n0.750001 0.403684 0.596317 Se\n0.965392 0.984195 0.245452 Se\n0.034609 0.015806 0.754548 Se\n0.914904 0.418336 0.170461 N\n0.414904 0.170462 0.418335 N\n0.085097 0.581665 0.829539 N\n0.585097 0.829540 0.581665 N\n",
"nsites": 18,
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],
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"formula_full": "Pr8 Se6 N4",
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"spacegroup": 15
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{
"id": "jvasp-109320",
"created_at": "2022-09-04T14:38:19.854729Z",
"updated_at": "2022-09-04T14:38:19.854757Z",
"structure_string": "Pr4 Sc2 Si4\n1.0\n7.404826 -0.000000 0.000000\n0.000000 7.404826 0.000000\n-0.000000 -0.000000 4.467708\nPr Sc Si\n4 2 4\ndirect\n0.678200 0.178200 0.500000 Pr\n0.321800 0.821801 0.500000 Pr\n0.178200 0.321800 0.500000 Pr\n0.821801 0.678200 0.500000 Pr\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 -0.000000 Sc\n0.118349 0.618349 -0.000000 Si\n0.881651 0.381651 -0.000000 Si\n0.618349 0.881651 -0.000000 Si\n0.381651 0.118349 -0.000000 Si\n",
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"volume": 244.9708992845108,
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"formula_full": "Pr4 Sc2 Si4",
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{
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"structure_string": "Pr2 Sc2 Si2\n1.0\n4.311350 0.000000 0.000000\n0.000000 4.311350 -0.000000\n-2.155675 -2.155675 7.957097\nPr Sc Si\n2 2 2\ndirect\n0.323545 0.323545 0.647089 Pr\n0.676456 0.676456 0.352911 Pr\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.121196 0.121196 0.242391 Si\n0.878806 0.878806 0.757610 Si\n",
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{
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"created_at": "2022-09-04T14:36:05.921892Z",
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"structure_string": "Pr2 Sc2 Ge2\n1.0\n4.183553 -0.000000 -1.095193\n-0.286705 4.173718 -1.095193\n0.008743 0.009364 8.571423\nPr Sc Ge\n2 2 2\ndirect\n0.676551 0.676553 0.353106 Pr\n0.323446 0.323447 0.646894 Pr\n-0.000001 0.500000 0.000000 Sc\n0.500000 -0.000000 0.000000 Sc\n0.121965 0.121966 0.243931 Ge\n0.878032 0.878034 0.756069 Ge\n",
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{
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"updated_at": "2022-09-04T14:37:29.137380Z",
"structure_string": "Pr2 Sb2 Te2\n1.0\n4.387518 0.000000 -0.000000\n0.000000 4.387518 0.000000\n0.000000 0.000000 9.575120\nPr Sb Te\n2 2 2\ndirect\n0.500000 0.000000 0.725089 Pr\n0.000000 0.500000 0.274911 Pr\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.374827 Te\n0.000000 0.500000 0.625173 Te\n",
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