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{
"id": "jvasp-15674",
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{
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"created_at": "2022-09-04T14:38:33.929868Z",
"updated_at": "2022-09-04T14:38:33.929900Z",
"structure_string": "Pr2 N2 Cl8 O8\n1.0\n6.893931 0.000000 0.000000\n0.000000 8.812213 0.000000\n-0.000000 0.000000 5.877570\nPr N Cl O\n2 2 8 8\ndirect\n-0.000000 0.637906 0.500000 Pr\n0.500000 0.362094 -0.000000 Pr\n-0.000000 0.209057 -0.000000 N\n0.500000 0.790943 0.500000 N\n0.639293 0.006253 0.244511 Cl\n0.360707 0.006253 0.755489 Cl\n0.139293 -0.006253 0.255489 Cl\n0.860707 -0.006253 0.744511 Cl\n0.252270 0.605468 0.892460 Cl\n0.752270 0.394532 0.607540 Cl\n0.247730 0.394532 0.392460 Cl\n0.747730 0.605468 0.107540 Cl\n0.137339 0.271339 0.907043 O\n0.479976 0.141198 0.243860 O\n0.520024 0.141198 0.756140 O\n0.020024 0.858802 0.743860 O\n-0.020024 0.858802 0.256140 O\n0.362661 0.728661 0.407043 O\n0.637339 0.728661 0.592957 O\n0.862661 0.271339 0.092957 O\n",
"nsites": 20,
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{
"id": "jvasp-109696",
"created_at": "2022-09-04T14:37:56.780968Z",
"updated_at": "2022-09-04T14:37:56.780993Z",
"structure_string": "Pr1 Mn2 Si1 Ge1\n1.0\n3.765863 -0.015646 -4.771050\n-0.465923 3.736962 -4.771050\n0.013874 0.015646 6.078195\nPr Mn Si Ge\n1 2 1 1\ndirect\n0.998475 0.998474 -0.000002 Pr\n0.753567 0.253567 0.499998 Mn\n0.253567 0.753567 0.499999 Mn\n0.370382 0.370381 -0.000001 Si\n0.624006 0.624005 -0.000001 Ge\n",
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"formula_full": "Pr1 Mn2 Si1 Ge1",
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{
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"structure_string": "Pr2 Mn2 Se2 O3\n1.0\n4.097284 -0.000000 0.000000\n-0.000000 4.097284 0.000000\n-2.048643 -2.048643 9.444780\nPr Mn Se O\n2 2 2 3\ndirect\n0.313465 0.313465 0.626931 Pr\n0.686535 0.686535 0.373069 Pr\n-0.000000 0.499999 -0.000000 Mn\n0.499999 -0.000000 -0.000000 Mn\n0.900477 0.900477 0.800954 Se\n0.099523 0.099523 0.199046 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.499999 0.499999 -0.000000 O\n",
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"formula_full": "Pr2 Mn2 Se2 O3",
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{
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"created_at": "2022-09-04T14:38:43.683175Z",
"updated_at": "2022-09-04T14:38:43.683184Z",
"structure_string": "Pr2 Mn3 Sb3 O14\n1.0\n6.334739 -0.026860 3.502028\n1.980434 6.017269 3.502028\n-0.016102 -0.011600 7.331903\nPr Mn Sb O\n2 3 3 14\ndirect\n0.500000 -0.000000 0.000000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.434873 0.818775 0.416866 O\n0.829485 0.414446 0.825117 O\n0.414446 0.829485 0.825117 O\n0.818775 0.434873 0.416866 O\n0.825509 0.825509 0.447443 O\n0.412079 0.412079 0.848401 O\n0.181225 0.565127 0.583134 O\n0.170515 0.585554 0.174883 O\n0.585554 0.170515 0.174883 O\n0.897471 0.897472 0.855593 O\n0.174491 0.174491 0.552557 O\n0.587921 0.587921 0.151599 O\n0.565127 0.181225 0.583134 O\n0.102528 0.102528 0.144407 O\n",
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"formula_full": "Pr2 Mn3 Sb3 O14",
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{
"id": "jvasp-117338",
"created_at": "2022-09-04T14:38:26.338391Z",
"updated_at": "2022-09-04T14:38:26.338413Z",
"structure_string": "Pr2 Mn3 Cu9 As7\n1.0\n9.912616 -0.000000 0.000000\n-4.956308 8.584577 0.000000\n-0.000000 0.000000 4.009233\nPr Mn Cu As\n2 3 9 7\ndirect\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.500000 Pr\n0.427101 0.541247 0.500000 Mn\n0.114146 0.572900 0.500000 Mn\n0.458754 0.885854 0.500000 Mn\n0.288969 0.042219 0.500000 Cu\n0.957781 0.246750 0.500000 Cu\n0.753250 0.711031 0.500000 Cu\n0.175096 0.385056 -0.000000 Cu\n0.209960 0.824905 -0.000000 Cu\n0.713385 0.095405 -0.000000 Cu\n0.904596 0.617980 -0.000000 Cu\n0.382020 0.286616 -0.000000 Cu\n0.614944 0.790040 -0.000000 Cu\n0.035713 0.782588 0.500000 As\n0.622057 0.543892 -0.000000 As\n0.921836 0.377943 -0.000000 As\n0.456108 0.078165 -0.000000 As\n0.746874 0.964287 0.500000 As\n0.217412 0.253127 0.500000 As\n0.333333 0.666667 -0.000000 As\n",
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{
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"structure_string": "Pr2 Mn3 Co1 Ge4\n1.0\n4.034593 0.000000 0.000000\n0.000000 4.034593 0.000000\n-0.000000 -0.000000 10.792439\nPr Mn Co Ge\n2 3 1 4\ndirect\n0.000000 0.000000 0.004076 Pr\n0.500000 0.500000 0.495924 Pr\n0.500000 0.000000 0.750000 Mn\n0.500000 0.000000 0.250000 Mn\n-0.000000 0.500000 0.750000 Mn\n-0.000000 0.500000 0.250000 Co\n0.500000 0.500000 0.130190 Ge\n0.000000 0.000000 0.624252 Ge\n0.000000 0.000000 0.369810 Ge\n0.500000 0.500000 0.875748 Ge\n",
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"updated_at": "2022-09-04T14:36:12.787621Z",
"structure_string": "Pr1 Mn1 Co1 Ge2\n1.0\n3.831998 -0.001506 -4.633066\n-0.497678 3.799543 -4.633066\n0.001322 0.001506 6.012446\nPr Mn Co Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.249999 0.750000 0.499999 Mn\n0.750000 0.250000 0.499999 Co\n0.628657 0.628656 -0.000002 Ge\n0.371343 0.371342 -0.000001 Ge\n",
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{
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"created_at": "2022-09-04T14:37:50.006120Z",
"updated_at": "2022-09-04T14:37:50.006140Z",
"structure_string": "Pr6 Mn2 Al2 S14\n1.0\n0.000000 9.877131 0.000053\n6.175422 0.000000 0.000000\n0.000000 -4.938435 -8.553943\nPr Mn Al S\n6 2 2 14\ndirect\n0.840201 0.774339 0.215116 Pr\n0.159798 0.274339 0.784884 Pr\n0.374911 0.774334 0.159797 Pr\n0.784887 0.774334 0.625091 Pr\n0.215112 0.274334 0.374909 Pr\n0.625088 0.274335 0.840203 Pr\n0.000000 0.942270 0.000000 Mn\n-0.000000 0.442270 -0.000000 Mn\n0.666668 0.349044 0.333335 Al\n0.333332 0.849044 0.666665 Al\n0.909269 0.488334 0.474367 S\n0.525633 0.488340 0.434898 S\n0.434897 0.988333 0.909265 S\n0.565103 0.488333 0.090735 S\n0.783297 0.687954 0.906254 S\n0.122952 0.687953 0.216701 S\n0.333335 0.489812 0.666662 S\n0.216702 0.187954 0.093746 S\n0.093749 0.687952 0.877047 S\n0.906251 0.187952 0.122953 S\n0.090730 0.988334 0.525633 S\n0.666664 0.989812 0.333338 S\n0.877048 0.187953 0.783299 S\n0.474367 0.988340 0.565102 S\n",
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{
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"created_at": "2022-09-04T14:36:34.752847Z",
"updated_at": "2022-09-04T14:36:34.752883Z",
"structure_string": "Pr2 Mg2 Ni4 O12\n1.0\n0.000000 5.372503 -0.000236\n5.198097 0.000000 0.000000\n0.000000 0.000081 -7.433679\nPr Mg Ni O\n2 2 4 12\ndirect\n0.289959 0.990637 0.750000 Pr\n0.710040 0.490637 0.250001 Pr\n0.812555 0.529491 0.749999 Mg\n0.187444 0.029491 0.250002 Mg\n0.750487 0.002876 0.998495 Ni\n0.750490 0.002876 0.501506 Ni\n0.249509 0.502876 0.498494 Ni\n0.249512 0.502876 0.001506 Ni\n0.449687 0.193242 0.055352 O\n0.990175 0.265695 0.443041 O\n0.990178 0.265690 0.056960 O\n0.201019 0.427425 0.750001 O\n0.265142 0.628855 0.250000 O\n0.009822 0.765691 0.943041 O\n0.550311 0.693243 0.555351 O\n0.009825 0.765695 0.556959 O\n0.449688 0.193242 0.444650 O\n0.798980 0.927425 0.250000 O\n0.550312 0.693242 0.944649 O\n0.734857 0.128855 0.750001 O\n",
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],
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{
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"created_at": "2022-09-04T14:38:37.909238Z",
"updated_at": "2022-09-04T14:38:37.909260Z",
"structure_string": "Pr4 Mg2 Ir2 O12\n1.0\n5.728567 0.000000 0.000000\n0.000000 4.519007 3.179031\n0.000000 -0.011216 9.640763\nPr Mg Ir O\n4 2 2 12\ndirect\n0.556799 0.235303 0.750618 Pr\n0.943202 0.235304 0.250618 Pr\n0.443202 0.764696 0.249381 Pr\n0.056798 0.764696 0.749381 Pr\n0.500000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 -0.000000 Ir\n0.206941 0.253088 0.047764 O\n0.293059 0.253088 0.547764 O\n0.476187 0.659072 0.750960 O\n0.023813 0.659072 0.250960 O\n0.523813 0.340928 0.249040 O\n0.704353 0.156131 0.047469 O\n0.295648 0.843868 0.952531 O\n0.204353 0.843869 0.452531 O\n0.706941 0.746912 0.452236 O\n0.795648 0.156131 0.547469 O\n0.976188 0.340928 0.749040 O\n0.793059 0.746912 0.952236 O\n",
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}
]
}