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{
"id": "jvasp-105424",
"created_at": "2022-09-04T14:36:48.603573Z",
"updated_at": "2022-09-04T14:36:48.603598Z",
"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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{
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"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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"formula_full": "Pr2 Mn3 Cu9 As7",
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{
"id": "jvasp-116663",
"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",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Mn-O-Pr-Sb",
"density": 6.134994977184828,
"density_atomic": 0.07846383445305559,
"volume": 280.3839520889393,
"volume_molar": 7.675052846930402,
"formula_full": "Pr2 Mn3 Sb3 O14",
"formula_reduced": "Pr2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
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"spacegroup": 12
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{
"id": "jvasp-90178",
"created_at": "2022-09-04T14:36:18.784569Z",
"updated_at": "2022-09-04T14:36:18.784585Z",
"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",
"nsites": 9,
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"elements": [
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"density": 6.2586789437631705,
"density_atomic": 0.056762109566570906,
"volume": 158.55647488655706,
"volume_molar": 10.609437890847241,
"formula_full": "Pr2 Mn2 Se2 O3",
"formula_reduced": "Pr2Mn2Se2O3",
"formula_anonymous": "A2B2C2D3",
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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",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ge-Mn-Pr-Si",
"density": 6.782595793125589,
"density_atomic": 0.058100530441961576,
"volume": 86.05773410269731,
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"formula_full": "Pr1 Mn2 Si1 Ge1",
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"formula_anonymous": "ABCD2",
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"spacegroup": 107
},
{
"id": "jvasp-119082",
"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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"elements": [
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"chemical_system": "Cl-N-O-Pr",
"density": 3.3550912985700743,
"density_atomic": 0.05601189516144557,
"volume": 357.06701125454,
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"formula_full": "Pr2 N2 Cl8 O8",
"formula_reduced": "PrN(ClO)4",
"formula_anonymous": "ABC4D4",
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},
{
"id": "jvasp-57070",
"created_at": "2022-09-04T14:37:45.486096Z",
"updated_at": "2022-09-04T14:37:45.486131Z",
"structure_string": "Pr6 Nb2 Cl12 O8\n1.0\n6.393231 -11.073400 -0.000000\n6.393231 11.073400 -0.000000\n-0.000000 -0.000000 4.006281\nPr Nb Cl O\n6 2 12 8\ndirect\n0.886962 0.281184 0.250000 Pr\n0.394221 0.113037 0.250000 Pr\n0.113037 0.718816 0.750000 Pr\n0.605779 0.886962 0.750000 Pr\n0.281184 0.394221 0.750000 Pr\n0.718816 0.605779 0.250000 Pr\n0.666667 0.333333 0.750000 Nb\n0.333333 0.666667 0.250000 Nb\n0.627545 0.072470 0.250000 Cl\n0.372455 0.927530 0.750000 Cl\n0.244725 0.144685 0.750000 Cl\n0.899960 0.755275 0.750000 Cl\n0.755275 0.855315 0.250000 Cl\n0.555075 0.627545 0.750000 Cl\n0.855315 0.100040 0.750000 Cl\n0.444925 0.372455 0.250000 Cl\n0.072470 0.444925 0.750000 Cl\n0.100040 0.244725 0.250000 Cl\n0.144685 0.899960 0.250000 Cl\n0.927530 0.555075 0.250000 Cl\n0.693205 0.494596 0.750000 O\n0.666667 0.333333 0.250000 O\n0.306795 0.505403 0.250000 O\n0.801391 0.306795 0.750000 O\n0.494596 0.801391 0.250000 O\n0.198609 0.693205 0.250000 O\n0.505403 0.198609 0.750000 O\n0.333333 0.666667 0.750000 O\n",
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"formula_full": "Pr6 Nb2 Cl12 O8",
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{
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"created_at": "2022-09-04T14:37:09.222535Z",
"updated_at": "2022-09-04T14:37:09.222562Z",
"structure_string": "Pr1 Ni2 B2 C1\n1.0\n3.544914 -0.000000 -1.231245\n-0.427645 3.519024 -1.231245\n-0.037719 -0.042580 5.610157\nPr Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250001 0.749999 0.500001 Ni\n0.749999 0.250000 0.500001 Ni\n0.650476 0.650476 0.300954 B\n0.349523 0.349523 0.699048 B\n0.500000 0.499999 0.000001 C\n",
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"formula_full": "Pr1 Ni2 B2 C1",
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},
{
"id": "jvasp-90833",
"created_at": "2022-09-04T14:35:59.512608Z",
"updated_at": "2022-09-04T14:35:59.512634Z",
"structure_string": "Pr2 P2 Os2 O2\n1.0\n4.079233 0.000000 0.000000\n0.000000 4.079233 0.000000\n-0.000000 0.000000 8.312382\nPr P Os O\n2 2 2 2\ndirect\n0.749999 0.749999 0.856101 Pr\n0.250000 0.250000 0.143899 Pr\n0.749999 0.749999 0.354692 P\n0.250000 0.250000 0.645308 P\n0.749999 0.250000 0.500000 Os\n0.250000 0.749999 0.500000 Os\n0.749999 0.250000 0.000000 O\n0.250000 0.749999 0.000000 O\n",
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"spacegroup": 129
},
{
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"created_at": "2022-09-04T14:37:41.406236Z",
"updated_at": "2022-09-04T14:37:41.406264Z",
"structure_string": "Pr2 Re2 Si2 C1\n1.0\n-0.000000 -4.097474 -0.000000\n4.445370 -2.048737 -3.467032\n4.438077 -2.048737 3.776313\nPr Re Si C\n2 2 2 1\ndirect\n0.428633 0.838607 0.304128 Pr\n0.571367 0.161394 0.695872 Pr\n0.797230 0.317782 0.087757 Re\n0.202770 0.682219 0.912243 Re\n0.847457 0.601693 0.703394 Si\n0.152544 0.398307 0.296606 Si\n0.000000 0.000000 0.000000 C\n",
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{
"id": "jvasp-24968",
"created_at": "2022-09-04T14:38:16.483514Z",
"updated_at": "2022-09-04T14:38:16.483543Z",
"structure_string": "Pr8 S6 N2 Cl6\n1.0\n4.692171 -8.127079 0.000000\n4.692171 8.127079 -0.000000\n-0.000000 -0.000000 6.919746\nPr S N Cl\n8 6 2 6\ndirect\n0.333333 0.666667 0.211753 Pr\n0.799116 0.200884 0.247965 Pr\n0.200884 0.799116 0.747965 Pr\n0.401770 0.200884 0.247965 Pr\n0.200884 0.401770 0.747965 Pr\n0.598230 0.799115 0.747965 Pr\n0.666667 0.333333 0.711753 Pr\n0.799115 0.598230 0.247965 Pr\n0.531129 0.468871 0.968308 S\n0.062259 0.531129 0.468307 S\n0.468871 0.937741 0.468307 S\n0.531129 0.062259 0.968308 S\n0.468871 0.531129 0.468307 S\n0.937741 0.468871 0.968308 S\n0.333333 0.666667 0.867862 N\n0.666667 0.333333 0.367862 N\n0.130535 0.869465 0.139703 Cl\n0.130535 0.261069 0.139703 Cl\n0.738930 0.869465 0.139703 Cl\n0.869465 0.738930 0.639704 Cl\n0.261069 0.130535 0.639704 Cl\n0.869465 0.130535 0.639704 Cl\n",
"nsites": 22,
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],
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},
{
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"created_at": "2022-09-04T14:37:50.516947Z",
"updated_at": "2022-09-04T14:37:50.516967Z",
"structure_string": "Pr6 Si2 Ag2 S14\n1.0\n5.185450 -8.981463 0.000000\n5.185450 8.981463 0.000000\n-0.000000 0.000000 5.793634\nPr Si Ag S\n6 2 2 14\ndirect\n0.763287 0.122967 0.250128 Pr\n0.236713 0.877033 0.750127 Pr\n0.877033 0.640320 0.250128 Pr\n0.359680 0.236713 0.250128 Pr\n0.640320 0.763287 0.750127 Pr\n0.122967 0.359680 0.750127 Pr\n0.666667 0.333333 0.664441 Si\n0.333333 0.666667 0.164441 Si\n0.000000 0.000000 0.284976 Ag\n0.000000 0.000000 0.784976 Ag\n0.268070 0.177842 0.762359 S\n0.909771 0.731930 0.762359 S\n0.177842 0.909771 0.262359 S\n0.822158 0.090229 0.762359 S\n0.409433 0.524773 0.019768 S\n0.475227 0.884660 0.019768 S\n0.333333 0.666667 0.529881 S\n0.590567 0.475227 0.519767 S\n0.115340 0.590567 0.019768 S\n0.884660 0.409433 0.519767 S\n0.731930 0.822158 0.262359 S\n0.666667 0.333333 0.029882 S\n0.524773 0.115340 0.519767 S\n0.090229 0.268070 0.262359 S\n",
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],
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"volume": 539.6529903243064,
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}
]
}