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{
"id": "jvasp-21738",
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"structure_string": "Na2 Pr4 Ir2 O12\n1.0\n0.000000 5.551940 -0.001057\n6.007028 0.000000 0.000000\n0.000000 -5.435165 -7.995294\nNa Pr Ir O\n2 4 2 12\ndirect\n-0.000001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.773737 0.425531 0.752232 Pr\n0.773737 0.074469 0.252232 Pr\n0.226262 0.925532 0.747768 Pr\n0.226263 0.574469 0.247768 Pr\n0.500000 0.000000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.153048 0.823652 0.449036 O\n0.846951 0.323652 0.050965 O\n0.620493 0.457200 0.234518 O\n0.379507 0.957200 0.265482 O\n0.379506 0.542800 0.765482 O\n0.271505 0.216759 0.937061 O\n0.728494 0.783241 0.062939 O\n0.271506 0.283241 0.437061 O\n0.153048 0.676349 0.949035 O\n0.728493 0.716759 0.562939 O\n0.620492 0.042800 0.734518 O\n0.846951 0.176348 0.550964 O\n",
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{
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"structure_string": "Na2 Pr4 Ru2 O12\n1.0\n0.000000 5.549948 -0.000771\n5.978335 0.000000 0.000000\n0.000000 -5.431450 -7.977821\nNa Pr Ru O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n0.772306 0.072512 0.252323 Pr\n0.227694 0.572511 0.247677 Pr\n0.227694 0.927487 0.747677 Pr\n0.772306 0.427488 0.752323 Pr\n0.500000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.270277 0.280934 0.436525 O\n0.729724 0.780933 0.063475 O\n0.619651 0.043528 0.732252 O\n0.380349 0.543527 0.767748 O\n0.380349 0.956471 0.267748 O\n0.158561 0.825727 0.450057 O\n0.841439 0.174272 0.549943 O\n0.158561 0.674272 0.950057 O\n0.270277 0.219066 0.936525 O\n0.841439 0.325727 0.049943 O\n0.619651 0.456472 0.232252 O\n0.729724 0.719066 0.563475 O\n",
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{
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"structure_string": "Na2 Pr2 Se4 O16\n1.0\n-6.663530 -0.042739 -0.033413\n-0.073578 -7.176486 0.049755\n0.941813 1.133498 7.219169\nNa Pr Se O\n2 2 4 16\ndirect\n0.075977 0.686634 0.278959 Na\n0.924024 0.313366 0.721042 Na\n0.643190 0.806869 0.801602 Pr\n0.356811 0.193132 0.198399 Pr\n0.133292 0.815280 0.783536 Se\n0.422988 0.288697 0.711371 Se\n0.577013 0.711304 0.288630 Se\n0.866709 0.184720 0.216465 Se\n0.257787 0.743594 0.604797 O\n0.267407 0.305990 0.517045 O\n0.278575 0.287123 0.879667 O\n0.558855 0.094180 0.678146 O\n0.994811 0.647064 0.843638 O\n0.324504 0.887922 0.953334 O\n0.589344 0.466234 0.764831 O\n0.410657 0.533767 0.235170 O\n0.037448 0.013766 0.240715 O\n0.675497 0.112079 0.046667 O\n0.721426 0.712878 0.120334 O\n0.962553 0.986234 0.759286 O\n0.742214 0.256407 0.395204 O\n0.441146 0.905821 0.321855 O\n0.005190 0.352937 0.156363 O\n0.732594 0.694011 0.482956 O\n",
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{
"id": "jvasp-112661",
"created_at": "2022-09-04T14:38:43.060122Z",
"updated_at": "2022-09-04T14:38:43.060156Z",
"structure_string": "Na2 Pr2 Ti4 O12\n1.0\n5.442199 0.000000 0.000000\n0.000000 5.518242 0.000000\n-0.000000 0.000000 7.722368\nNa Pr Ti O\n2 2 4 12\ndirect\n0.499918 0.773439 0.500000 Na\n0.999919 0.226561 -0.000000 Na\n0.010462 0.293081 0.500000 Pr\n0.510462 0.706918 -0.000000 Pr\n0.511072 0.240886 0.752193 Ti\n0.011072 0.759114 0.252192 Ti\n0.511072 0.240886 0.247808 Ti\n0.011072 0.759114 0.747808 Ti\n0.930935 0.738256 0.500000 O\n0.566937 0.236176 0.500000 O\n0.208071 0.038852 0.713968 O\n0.276732 0.534066 0.284373 O\n0.776732 0.465934 0.215627 O\n0.208071 0.038852 0.286032 O\n0.776732 0.465934 0.784373 O\n0.708071 0.961148 0.213968 O\n0.430935 0.261744 -0.000000 O\n0.276732 0.534066 0.715627 O\n0.708071 0.961148 0.786033 O\n0.066937 0.763824 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:18.575286Z",
"updated_at": "2022-09-04T14:37:18.575311Z",
"structure_string": "Na3 Rh1 N6 O12\n1.0\n6.426259 -0.009824 2.037804\n1.488718 6.251449 2.037804\n-0.012457 -0.009824 6.741609\nNa Rh N O\n3 1 6 12\ndirect\n0.267438 0.267439 0.267438 Na\n0.732561 0.732563 0.732561 Na\n0.500000 0.500001 0.499999 Na\n0.000000 0.000000 0.000000 Rh\n0.203550 0.203551 0.825661 N\n0.796450 0.174340 0.796449 N\n0.825661 0.203551 0.203549 N\n0.174338 0.796451 0.796449 N\n0.796450 0.796451 0.174338 N\n0.203550 0.825662 0.203549 N\n0.912506 0.286401 0.286400 O\n0.087494 0.713600 0.713599 O\n0.713600 0.713600 0.087493 O\n0.713599 0.087495 0.713599 O\n0.243324 0.243325 0.625908 O\n0.625908 0.243325 0.243323 O\n0.374092 0.756677 0.756675 O\n0.756676 0.374093 0.756675 O\n0.756676 0.756677 0.374091 O\n0.286400 0.912506 0.286400 O\n0.286400 0.286401 0.912505 O\n0.243324 0.625909 0.243323 O\n",
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{
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"structure_string": "Na2 Ru1 Au1 F6\n1.0\n5.344072 -0.000000 3.085401\n1.781357 5.038439 3.085401\n-0.000000 -0.000000 6.170802\nNa Ru Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.749999 Na\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Au\n0.230465 0.230465 0.769534 F\n0.230466 0.769535 0.769534 F\n0.769535 0.769535 0.230465 F\n0.230466 0.769535 0.230465 F\n0.769535 0.230465 0.769534 F\n0.769535 0.230465 0.230465 F\n",
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{
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"structure_string": "Na3 S1 O4 F1\n1.0\n6.021570 0.710360 0.492397\n0.519628 6.054304 0.506906\n0.683866 0.716119 6.007494\nNa S O F\n3 1 4 1\ndirect\n0.401599 -0.009626 0.401762 Na\n0.402742 0.403178 -0.008622 Na\n-0.008018 0.403851 0.403607 Na\n0.503420 0.502379 0.503023 S\n0.648889 0.331694 0.649021 O\n0.329463 0.646710 0.646500 O\n0.647328 0.647653 0.330284 O\n0.385528 0.381548 0.384039 O\n0.167053 0.170608 0.168386 F\n",
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{
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"created_at": "2022-09-04T14:38:30.257124Z",
"updated_at": "2022-09-04T14:38:30.257155Z",
"structure_string": "Na6 Sb6 As4 O28\n1.0\n0.000000 6.528426 0.017275\n7.349502 0.000000 0.000000\n0.000000 -3.762415 -12.083091\nNa Sb As O\n6 6 4 28\ndirect\n0.000000 0.000000 0.000000 Na\n0.538157 0.713288 0.433280 Na\n0.461844 0.286712 0.566719 Na\n0.538157 0.786712 0.933280 Na\n0.000000 0.500000 0.500000 Na\n0.461844 0.213288 0.066719 Na\n0.022871 0.240793 0.252497 Sb\n0.022871 0.259206 0.752497 Sb\n0.977130 0.759206 0.747503 Sb\n0.977130 0.740793 0.247503 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.582486 0.235649 0.338006 As\n0.582487 0.264351 0.838006 As\n0.417515 0.764351 0.661993 As\n0.417514 0.735649 0.161993 As\n0.074724 0.005753 0.803215 O\n0.038589 0.705526 0.907319 O\n0.925278 0.505753 0.696784 O\n0.961412 0.294473 0.092680 O\n0.294986 0.719813 0.763344 O\n0.105026 0.310345 0.916125 O\n0.705015 0.219813 0.736655 O\n0.608229 0.404138 0.429631 O\n0.894975 0.689655 0.083875 O\n0.074723 0.494247 0.303215 O\n0.961413 0.205526 0.592680 O\n0.682260 0.470468 0.904301 O\n0.391772 0.904138 0.070369 O\n0.038589 0.794473 0.407319 O\n0.671673 0.686809 0.248402 O\n0.328328 0.313190 0.751597 O\n0.894975 0.810344 0.583875 O\n0.391772 0.595862 0.570369 O\n0.682259 0.029532 0.404301 O\n0.317742 0.970468 0.595698 O\n0.105026 0.189655 0.416125 O\n0.671674 0.813190 0.748402 O\n0.608229 0.095862 0.929631 O\n0.705015 0.280186 0.236655 O\n0.317742 0.529532 0.095698 O\n0.925277 0.994246 0.196784 O\n0.294986 0.780186 0.263344 O\n0.328327 0.186810 0.251597 O\n",
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{
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"structure_string": "Na2 Sb2 P4 S12\n1.0\n0.000000 6.538192 -0.059149\n7.477270 0.000000 0.000000\n0.000000 -0.472030 -9.339188\nNa Sb P S\n2 2 4 12\ndirect\n0.305801 0.548456 0.499060 Na\n0.694199 0.048456 0.500940 Na\n0.189524 0.264027 0.016266 Sb\n0.810475 0.764027 0.983734 Sb\n0.313704 0.830153 0.184883 P\n0.185476 0.048288 0.321626 P\n0.814524 0.548288 0.678374 P\n0.686296 0.330153 0.815118 P\n0.424526 0.239805 0.721680 S\n0.910853 0.134712 0.822072 S\n0.575474 0.739805 0.278320 S\n0.089147 0.634712 0.177929 S\n0.066363 0.628144 0.806756 S\n0.933637 0.128144 0.193245 S\n0.875214 0.441298 0.491824 S\n0.124786 0.941298 0.508176 S\n0.648575 0.447644 0.015239 S\n0.351425 0.947644 0.984761 S\n0.399620 0.244175 0.305444 S\n0.600379 0.744175 0.694557 S\n",
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{
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"structure_string": "Na2 Sc1 Ag1 Cl6\n1.0\n6.267830 -0.000000 3.618733\n2.089277 5.909367 3.618733\n-0.000000 -0.000000 7.237467\nNa Sc Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.758771 0.241230 0.241229 Cl\n0.241230 0.241230 0.758771 Cl\n0.241230 0.758771 0.758770 Cl\n0.241230 0.758771 0.241229 Cl\n0.758771 0.241230 0.758770 Cl\n0.758771 0.758771 0.241228 Cl\n",
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{
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"created_at": "2022-09-04T14:36:47.535427Z",
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"structure_string": "Na2 Sc1 Ag1 F6\n1.0\n5.333065 -0.000000 3.079047\n1.777688 5.028062 3.079047\n-0.000000 -0.000000 6.158093\nNa Sc Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500001 Ag\n0.769668 0.230332 0.230333 F\n0.230332 0.230332 0.769668 F\n0.230332 0.769668 0.769668 F\n0.230332 0.769668 0.230332 F\n0.769668 0.230332 0.769669 F\n0.769668 0.769668 0.230333 F\n",
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{
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"created_at": "2022-09-04T14:37:49.934932Z",
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"structure_string": "Na1 Sc1 As2 O7\n1.0\n4.834176 0.005033 -0.631334\n-0.900707 5.416255 -1.246192\n0.002922 -0.001724 5.630259\nNa Sc As O\n1 1 2 7\ndirect\n0.500003 0.245238 0.754754 Na\n0.500001 0.631791 0.368210 Sc\n0.085402 0.747057 0.821819 As\n0.914598 0.178179 0.252945 As\n0.247243 0.623475 0.038738 O\n0.777806 0.571107 0.669953 O\n0.304952 0.838816 0.635989 O\n0.752752 0.961268 0.376529 O\n-0.000001 0.042231 0.957770 O\n0.695046 0.364013 0.161181 O\n0.222192 0.330048 0.428895 O\n",
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}