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{
"id": "jvasp-25246",
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"updated_at": "2022-09-04T14:38:27.538316Z",
"structure_string": "Ba4\n1.0\n6.868915 -0.000000 2.733476\n3.434458 5.677569 1.366738\n1.335192 0.000000 6.641952\nBa\n4\ndirect\n0.178899 0.500000 0.142202 Ba\n0.821100 0.500000 0.857799 Ba\n0.678898 0.142202 0.500001 Ba\n0.321101 0.857798 0.500000 Ba\n",
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{
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"structure_string": "Rb3 S1 Cl1\n1.0\n6.200016 0.000000 0.000000\n0.000000 6.200016 0.000000\n-0.000000 -0.000000 6.200016\nRb S Cl\n3 1 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Cl\n",
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{
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"structure_string": "Li4 Fe4 O2 F12\n1.0\n5.598820 0.004279 -0.031807\n1.597002 6.814024 -0.033990\n2.349838 2.638171 6.225569\nLi Fe O F\n4 4 2 12\ndirect\n0.677611 0.611649 0.772662 Li\n0.212498 0.868661 0.918059 Li\n0.787503 0.131338 0.081941 Li\n0.322390 0.388350 0.227338 Li\n0.754468 0.130714 0.585691 Fe\n0.684200 0.585417 0.270636 Fe\n0.315800 0.414583 0.729363 Fe\n0.245532 0.869285 0.414309 Fe\n0.517631 0.672697 0.516925 O\n0.482369 0.327303 0.483075 O\n0.139443 0.172279 0.908502 F\n0.333990 0.741041 0.194705 F\n0.094280 0.976636 0.650262 F\n0.287381 0.537940 0.935205 F\n0.712619 0.462060 0.064794 F\n0.970134 0.389095 0.378023 F\n0.666010 0.258959 0.805295 F\n0.860557 0.827721 0.091498 F\n0.575676 0.890179 0.766122 F\n0.424325 0.109821 0.233878 F\n0.905720 0.023363 0.349738 F\n0.029866 0.610905 0.621977 F\n",
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{
"id": "jvasp-64131",
"created_at": "2022-09-04T14:35:46.832208Z",
"updated_at": "2022-09-04T14:35:46.832234Z",
"structure_string": "Ba4 Cu1 Se1\n1.0\n0.000000 4.921138 4.921138\n4.921138 0.000000 4.921138\n4.921138 4.921138 0.000000\nBa Cu Se\n4 1 1\ndirect\n0.121826 0.626058 0.626058 Ba\n0.626058 0.626058 0.626058 Ba\n0.626058 0.121826 0.626058 Ba\n0.626058 0.626058 0.121826 Ba\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-99762",
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"structure_string": "Ce2 Er6\n1.0\n7.023941 0.000000 0.000000\n-3.511971 6.082910 0.000000\n0.000000 0.000000 5.578751\nCe Er\n2 6\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.167274 0.334551 0.250000 Er\n0.665449 0.832726 0.250000 Er\n0.167274 0.832726 0.250000 Er\n0.832726 0.665449 0.750000 Er\n0.334551 0.167274 0.750000 Er\n0.832726 0.167274 0.750000 Er\n",
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"formula_full": "Ce2 Er6",
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{
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"created_at": "2022-09-04T14:37:30.270353Z",
"updated_at": "2022-09-04T14:37:30.270380Z",
"structure_string": "Pb6 O8\n1.0\n3.489794 -0.000653 -0.002405\n0.001844 6.801772 -0.002829\n0.005931 0.004512 10.042192\nPb O\n6 8\ndirect\n0.499812 0.520808 0.688796 Pb\n0.499899 0.979206 0.188783 Pb\n-0.000035 0.499995 0.000005 Pb\n0.500188 0.020808 0.811201 Pb\n0.500106 0.479206 0.311221 Pb\n0.000028 -0.000008 0.499992 Pb\n0.499943 0.668988 0.912663 O\n0.499994 0.331003 0.087347 O\n0.500026 0.830998 0.412653 O\n0.500022 0.168993 0.587334 O\n0.000010 0.646677 0.194155 O\n0.000116 0.853327 0.694149 O\n-0.000059 0.146672 0.305844 O\n-0.000061 0.353323 0.805853 O\n",
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"spacegroup": 55
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{
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"created_at": "2022-09-04T14:38:30.496548Z",
"updated_at": "2022-09-04T14:38:30.496576Z",
"structure_string": "Ba2 H8 O12\n1.0\n5.314198 2.437102 -1.350652\n-5.314198 2.437102 1.350652\n-1.253091 0.000000 9.521677\nBa H O\n2 8 12\ndirect\n0.878386 0.878386 0.750000 Ba\n0.121613 0.121613 0.250000 Ba\n0.195277 0.569930 0.680002 H\n0.569930 0.195277 0.819998 H\n0.804722 0.430069 0.319998 H\n0.430069 0.804722 0.180002 H\n0.740907 0.390201 0.480246 H\n0.390202 0.740907 0.019754 H\n0.259092 0.609797 0.519754 H\n0.609798 0.259092 -0.019754 H\n0.498902 0.245453 0.875408 O\n0.245453 0.498902 0.624593 O\n-0.164967 0.426143 0.141927 O\n0.426143 -0.164967 0.358074 O\n0.164967 0.573856 0.858074 O\n0.283569 0.038532 0.575315 O\n-0.038533 0.716431 0.075314 O\n0.716431 -0.038533 0.424686 O\n0.038532 0.283569 0.924686 O\n0.754546 0.501097 0.375408 O\n0.573856 0.164967 0.641927 O\n0.501097 0.754546 0.124593 O\n",
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{
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"created_at": "2022-09-04T14:38:16.118146Z",
"updated_at": "2022-09-04T14:38:16.118162Z",
"structure_string": "Y2 Al6\n1.0\n4.039536 -6.996681 -0.000000\n4.039536 6.996681 0.000000\n-0.000000 0.000000 4.217226\nY Al\n2 6\ndirect\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.750001 Y\n0.122321 0.244644 0.250000 Al\n0.877679 0.122322 0.750001 Al\n0.244644 0.122321 0.750001 Al\n0.755357 0.877680 0.250000 Al\n0.122322 0.877679 0.250000 Al\n0.877680 0.755357 0.750001 Al\n",
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{
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"structure_string": "Y2 Al6\n1.0\n4.039540 -6.996688 0.000000\n4.039540 6.996688 0.000000\n0.000000 0.000000 4.217264\nY Al\n2 6\ndirect\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.749999 Y\n0.122321 0.244643 0.250000 Al\n0.877679 0.122321 0.749999 Al\n0.244643 0.122321 0.749999 Al\n0.755357 0.877679 0.250000 Al\n0.122321 0.877679 0.250000 Al\n0.877679 0.755357 0.749999 Al\n",
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{
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"created_at": "2022-09-04T14:38:29.544978Z",
"updated_at": "2022-09-04T14:38:29.545008Z",
"structure_string": "Mn5 Fe3 O16\n1.0\n-5.623940 -0.000799 0.000639\n2.811331 4.876816 -0.047544\n-0.001012 -0.008790 -8.692479\nMn Fe O\n5 3 16\ndirect\n0.666314 0.332610 0.512237 Mn\n0.830355 0.660695 0.787844 Mn\n0.332714 0.665411 0.013100 Mn\n0.665955 0.833447 0.288905 Mn\n0.167513 0.833448 0.288907 Mn\n0.835488 0.167006 0.791010 Fe\n0.331530 0.167006 0.791012 Fe\n0.167585 0.335152 0.292833 Fe\n0.666723 0.835811 0.898600 O\n0.332646 0.665268 0.401660 O\n0.042105 0.520815 0.159705 O\n0.478728 0.520813 0.159704 O\n0.831179 0.662339 0.401051 O\n0.169515 0.339021 0.898517 O\n0.514896 0.475444 0.659743 O\n-0.000425 -0.000867 0.680359 O\n0.339568 0.169879 0.398952 O\n0.002440 0.004863 0.181449 O\n0.480295 0.960573 0.157637 O\n0.663485 0.326957 0.900635 O\n0.521599 0.043186 0.663117 O\n0.830329 0.169877 0.398952 O\n0.960562 0.475444 0.659741 O\n0.169098 0.835812 0.898603 O\n",
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{
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"structure_string": "Ba4 Cr1 Fe1\n1.0\n-0.000000 4.921395 4.921395\n4.921395 -0.000000 4.921395\n4.921395 4.921395 -0.000000\nBa Cr Fe\n4 1 1\ndirect\n0.123382 0.625540 0.625540 Ba\n0.625540 0.625540 0.625540 Ba\n0.625540 0.123382 0.625540 Ba\n0.625540 0.625540 0.123382 Ba\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Fe\n",
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{
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"structure_string": "Na4 Zn2 Se4\n1.0\n5.576677 -0.000000 -2.578332\n-1.393230 5.756199 -3.013422\n0.031104 0.039382 7.387342\nNa Zn Se\n4 2 4\ndirect\n0.138354 0.479929 0.276708 Na\n0.861645 0.520070 0.723292 Na\n0.361645 0.203221 0.723292 Na\n0.638355 0.796779 0.276708 Na\n0.250000 -0.000000 0.000000 Zn\n0.750000 -0.000000 0.000000 Zn\n0.615972 0.333377 0.231945 Se\n0.384028 0.666623 0.768055 Se\n0.884029 0.101432 0.768055 Se\n0.115971 0.898568 0.231945 Se\n",
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"formula_full": "Na4 Zn2 Se4",
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}