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{
"id": "jvasp-22428",
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"structure_string": "Nd6 Ir2 O14\n1.0\n6.646559 -0.025350 0.000000\n-2.440151 6.182478 0.000000\n0.000000 -0.000000 7.569345\nNd Ir O\n6 2 14\ndirect\n0.529453 0.085786 0.250000 Nd\n0.470548 0.914214 0.750000 Nd\n0.085786 0.529453 0.250000 Nd\n0.914214 0.470548 0.750000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.439573 0.186873 0.540969 O\n0.560427 0.813127 0.040969 O\n0.813127 0.560427 0.040969 O\n0.590797 0.590797 0.750000 O\n0.439573 0.186873 0.959030 O\n0.813127 0.560427 0.459030 O\n0.186873 0.439573 0.959030 O\n0.158695 0.895784 0.250000 O\n0.841305 0.104217 0.750000 O\n0.895784 0.158695 0.250000 O\n0.104217 0.841305 0.750000 O\n0.409204 0.409203 0.250000 O\n0.560427 0.813127 0.459030 O\n0.186873 0.439573 0.540969 O\n",
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"structure_string": "Tb4 Pb4 O14\n1.0\n-0.000000 5.383901 5.383901\n5.383901 -0.000000 5.383901\n5.383901 5.383901 0.000000\nTb Pb O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.900569 0.349431 0.900569 O\n0.900569 0.900569 0.349431 O\n0.625000 0.625000 0.625000 O\n0.349431 0.349431 0.900569 O\n0.349431 0.900569 0.349431 O\n0.650569 0.650569 0.099431 O\n0.099431 0.650569 0.099431 O\n0.375000 0.375000 0.375000 O\n0.099431 0.099431 0.650569 O\n0.099431 0.650569 0.650569 O\n0.900569 0.349431 0.349431 O\n0.650569 0.099431 0.099431 O\n0.650569 0.099431 0.650569 O\n0.349431 0.900569 0.900569 O\n",
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{
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"created_at": "2022-09-04T14:37:42.204538Z",
"updated_at": "2022-09-04T14:37:42.204567Z",
"structure_string": "Tl8 Cd2 I12\n1.0\n9.233272 -0.000000 0.000000\n0.000000 9.233272 -0.000000\n0.000000 0.000000 9.684566\nTl Cd I\n8 2 12\ndirect\n0.148337 0.351663 0.250000 Tl\n0.851663 0.648337 0.750000 Tl\n0.148337 0.351663 0.750000 Tl\n0.351663 0.851663 0.250000 Tl\n0.351663 0.851663 0.750000 Tl\n0.851663 0.648337 0.250000 Tl\n0.648337 0.148337 0.250000 Tl\n0.648337 0.148337 0.750000 Tl\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.314542 0.138629 0.000000 I\n0.500000 0.500000 0.204970 I\n0.638629 0.814542 0.500000 I\n0.361371 0.185458 0.500000 I\n0.185458 0.638629 0.500000 I\n0.814542 0.361371 0.500000 I\n0.138629 0.685457 0.000000 I\n0.000000 0.000000 0.704970 I\n0.000000 0.000000 0.295031 I\n0.861371 0.314542 0.000000 I\n0.685457 0.861371 0.000000 I\n0.500000 0.500000 0.795031 I\n",
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{
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"updated_at": "2022-09-04T14:37:42.272211Z",
"structure_string": "Ta4 Mo2 O16\n1.0\n5.064156 0.003567 -0.016369\n-0.008447 5.674927 -1.742749\n-0.006029 -0.018475 10.045464\nTa Mo O\n4 2 16\ndirect\n0.755996 0.324642 0.277013 Ta\n0.743402 0.048041 0.722515 Ta\n0.243506 0.672465 0.722479 Ta\n0.256101 0.949065 0.276976 Ta\n0.749785 0.668240 0.999538 Mo\n0.249723 0.328864 0.999952 Mo\n0.880566 0.587523 0.385108 O\n0.618884 0.202754 0.614314 O\n0.118932 0.409587 0.614384 O\n0.380615 0.794356 0.385178 O\n0.079602 0.921026 0.661734 O\n0.419786 0.258417 0.337730 O\n0.069949 0.667037 0.107883 O\n0.569534 0.437947 0.108038 O\n0.929553 0.330070 0.891609 O\n0.919901 0.076079 0.337757 O\n0.580606 0.905054 0.118527 O\n0.919118 0.786941 0.881039 O\n0.418897 0.092043 0.880965 O\n0.080385 0.210169 0.118453 O\n0.429966 0.559155 0.891454 O\n0.579717 0.738690 0.661761 O\n",
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{
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"created_at": "2022-09-04T14:37:49.994023Z",
"updated_at": "2022-09-04T14:37:49.994050Z",
"structure_string": "Sn2 P2 Cl18\n1.0\n6.195717 0.000000 -0.000000\n0.000000 9.708417 -3.194200\n-0.000000 -0.080439 10.220068\nSn P Cl\n2 2 18\ndirect\n0.886466 0.250000 0.750000 Sn\n0.113534 0.750000 0.250000 Sn\n0.500000 0.750000 0.750000 P\n0.500000 0.250000 0.250000 P\n0.874847 0.398793 0.601207 Cl\n0.730384 0.431290 0.931290 Cl\n0.125154 0.601207 0.398793 Cl\n0.729247 0.750000 0.250000 Cl\n0.315201 0.587613 0.723869 Cl\n0.269617 0.931290 0.431290 Cl\n0.269617 0.568710 0.068710 Cl\n0.315201 0.912387 0.776132 Cl\n0.315201 0.276132 0.412387 Cl\n0.270754 0.250000 0.750000 Cl\n0.125154 0.898793 0.101207 Cl\n0.684800 0.412387 0.276132 Cl\n0.684800 0.723869 0.587613 Cl\n0.684800 0.776132 0.912387 Cl\n0.315201 0.223869 0.087613 Cl\n0.730384 0.068710 0.568710 Cl\n0.684800 0.087613 0.223869 Cl\n0.874847 0.101207 0.898793 Cl\n",
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{
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"created_at": "2022-09-04T14:37:50.327131Z",
"updated_at": "2022-09-04T14:37:50.327152Z",
"structure_string": "Rb4 B4 Se14\n1.0\n6.894025 0.000000 2.359365\n3.098620 7.807598 2.197680\n-0.046525 0.034349 11.387742\nRb B Se\n4 4 14\ndirect\n0.662982 0.191674 0.020034 Rb\n0.337018 0.808327 0.979965 Rb\n0.125309 0.691674 0.520034 Rb\n0.874691 0.308327 0.479965 Rb\n0.613166 0.883734 0.348608 B\n0.845506 0.616267 0.151391 B\n0.386834 0.116267 0.651391 B\n0.154493 0.383734 0.848608 B\n0.421658 0.263391 0.479206 Se\n0.545914 0.750000 0.250000 Se\n0.454086 0.250000 0.750000 Se\n0.903682 0.898008 0.267532 Se\n0.069222 0.601993 0.232467 Se\n0.096318 0.101993 0.732467 Se\n0.930778 0.398008 0.767532 Se\n0.386644 0.123074 0.332937 Se\n0.613356 0.876926 0.667063 Se\n0.157346 0.623074 0.832936 Se\n0.578342 0.736610 0.520793 Se\n0.835745 0.763391 0.979206 Se\n0.164254 0.236610 0.020793 Se\n0.842654 0.376926 0.167063 Se\n",
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{
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"created_at": "2022-09-04T14:37:34.849653Z",
"updated_at": "2022-09-04T14:37:34.849662Z",
"structure_string": "Lu4 C6 N12\n1.0\n5.984040 0.032747 8.656537\n2.724808 5.327779 8.656537\n0.053201 0.032747 10.523380\nLu C N\n4 6 12\ndirect\n0.664530 0.664532 0.664530 Lu\n0.835469 0.835471 0.835469 Lu\n0.335469 0.335470 0.335469 Lu\n0.164531 0.164531 0.164531 Lu\n0.449943 0.050058 0.750000 C\n0.550057 0.949944 0.250000 C\n0.949943 0.250001 0.550057 C\n0.250000 0.550058 0.949943 C\n0.750000 0.449944 0.050057 C\n0.050057 0.750000 0.449943 C\n0.358037 0.551321 0.959016 N\n0.948680 0.141964 0.540984 N\n0.551320 0.959017 0.358037 N\n0.040984 0.641963 0.448680 N\n0.641963 0.448681 0.040984 N\n0.051320 0.858038 0.459016 N\n0.540984 0.948681 0.141963 N\n0.459016 0.051320 0.858037 N\n0.959016 0.358038 0.551319 N\n0.858037 0.459017 0.051320 N\n0.448680 0.040984 0.641963 N\n0.141962 0.540985 0.948680 N\n",
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{
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"created_at": "2022-09-04T14:37:43.024220Z",
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"structure_string": "Sr2 Li2 B6 S12\n1.0\n7.142332 0.039644 3.081928\n1.868619 7.309193 4.278039\n0.012839 0.000381 8.672802\nSr Li B S\n2 2 6 12\ndirect\n0.974407 0.137810 0.380924 Sr\n0.474407 0.380923 0.137811 Sr\n0.936572 0.489188 0.705990 Li\n0.436572 0.705989 0.489189 Li\n0.943400 0.014105 0.026579 B\n0.041942 0.758489 0.839157 B\n0.541942 0.839156 0.758489 B\n0.023163 0.604587 0.248433 B\n0.443400 0.026578 0.014106 B\n0.523163 0.248433 0.604587 B\n0.436439 0.253671 0.829846 S\n0.936439 0.829845 0.253673 S\n0.076276 0.731811 0.637709 S\n0.087594 0.403698 0.441286 S\n0.563478 0.052639 0.555141 S\n0.587594 0.441286 0.403698 S\n0.063478 0.555141 0.052640 S\n0.576276 0.637709 0.731811 S\n0.992843 0.992310 0.813490 S\n0.492843 0.813489 0.992311 S\n0.405377 0.017022 0.236252 S\n0.905377 0.236252 0.017023 S\n",
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"updated_at": "2022-09-04T14:37:50.740193Z",
"structure_string": "Dy6 Al4 Ni12\n1.0\n7.276678 -0.000000 -2.572694\n-3.638339 6.301788 -2.572694\n0.000000 0.000000 7.718082\nDy Al Ni\n6 4 12\ndirect\n0.293634 -0.000000 0.293634 Dy\n0.706366 0.706366 0.000001 Dy\n0.293634 0.293634 0.000000 Dy\n-0.000000 0.706366 0.706366 Dy\n-0.000000 0.293634 0.293634 Dy\n0.706366 -0.000000 0.706366 Dy\n0.500000 0.500000 0.500000 Al\n-0.000000 -0.000000 0.500000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.666048 -0.000000 0.333953 Ni\n0.333953 -0.000000 0.666048 Ni\n0.333953 0.333953 0.667906 Ni\n0.667906 0.333953 0.333953 Ni\n0.666048 0.666048 0.332095 Ni\n0.666048 0.332094 0.666048 Ni\n-0.000000 0.666048 0.333953 Ni\n0.666048 0.333953 0.000001 Ni\n-0.000000 0.333953 0.666048 Ni\n0.333953 0.666048 0.000001 Ni\n0.333953 0.667906 0.333953 Ni\n0.332094 0.666048 0.666048 Ni\n",
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"updated_at": "2022-09-04T14:37:50.700595Z",
"structure_string": "Ta2 Te2 Cl18\n1.0\n6.069694 -0.000347 1.759662\n-0.620141 8.873640 2.563425\n-0.008578 0.106373 11.175673\nTa Te Cl\n2 2 18\ndirect\n0.416411 0.742786 0.703720 Ta\n0.583588 0.257213 0.296280 Ta\n0.131716 0.677911 0.168068 Te\n0.868283 0.322088 0.831932 Te\n0.099872 0.359775 0.619156 Cl\n0.900127 0.640225 0.380844 Cl\n0.120948 0.194528 0.937518 Cl\n0.879051 0.805471 0.062481 Cl\n0.231413 0.145238 0.391816 Cl\n0.768586 0.854762 0.608184 Cl\n0.515996 0.302691 0.083561 Cl\n0.484003 0.697309 0.916439 Cl\n0.052518 0.607659 0.829694 Cl\n0.313927 0.901854 0.165467 Cl\n0.745986 0.037899 0.277944 Cl\n0.254013 0.962101 0.722056 Cl\n0.452098 0.508339 0.294477 Cl\n0.547902 0.491660 0.705522 Cl\n0.659944 0.246000 0.488189 Cl\n0.340056 0.753999 0.511810 Cl\n0.947481 0.392341 0.170305 Cl\n0.686072 0.098146 0.834532 Cl\n",
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"created_at": "2022-09-04T14:37:53.390342Z",
"updated_at": "2022-09-04T14:37:53.390365Z",
"structure_string": "Ba6 Na2 Bi2 O12\n1.0\n7.319448 -0.007560 -0.236069\n-0.243561 7.315398 -0.236069\n-0.007320 -0.007560 7.323250\nBa Na Bi O\n6 2 2 12\ndirect\n0.897637 0.250000 0.602363 Ba\n0.102364 0.750000 0.397636 Ba\n0.602364 0.897637 0.250000 Ba\n0.750000 0.397637 0.102363 Ba\n0.397637 0.102363 0.750000 Ba\n0.250000 0.602364 0.897636 Ba\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.417700 0.551592 0.218868 O\n0.551592 0.218868 0.417700 O\n0.281133 0.948408 0.082300 O\n0.082300 0.281132 0.948408 O\n0.781133 0.582300 0.448408 O\n0.917700 0.718868 0.051592 O\n0.051592 0.917700 0.718868 O\n0.948408 0.082300 0.281132 O\n0.718868 0.051592 0.917700 O\n0.218868 0.417700 0.551592 O\n0.582300 0.448408 0.781132 O\n0.448408 0.781133 0.582300 O\n",
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"updated_at": "2022-09-04T14:37:35.227380Z",
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"elements": [
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],
"chemical_system": "O-V-Y",
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}
]
}