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{
"id": "jvasp-10171",
"created_at": "2022-09-04T14:37:07.190302Z",
"updated_at": "2022-09-04T14:37:07.190323Z",
"structure_string": "Zn2 Bi4 O8\n1.0\n3.539047 -0.023707 -0.017502\n-1.728201 6.123957 0.106970\n-1.735892 -2.270444 9.969307\nZn Bi O\n2 4 8\ndirect\n0.359609 0.733558 0.239036 Zn\n0.620831 0.233377 0.739083 Zn\n0.666182 0.289355 0.076544 Bi\n0.707507 0.789255 0.576458 Bi\n0.272942 0.177687 0.401659 Bi\n0.314265 0.677582 0.901568 Bi\n0.679013 0.554315 0.762860 O\n0.646210 0.054510 0.262928 O\n0.334232 0.912426 0.715186 O\n0.301435 0.412623 0.215255 O\n0.107052 0.318439 0.904388 O\n0.123703 0.818520 0.404365 O\n0.873406 0.648498 0.073726 O\n0.856743 0.148416 0.573750 O\n",
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{
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"structure_string": "Li5 Cu4 P6\n1.0\n3.885218 0.000000 0.000000\n-1.942609 6.340828 4.389330\n-1.942609 -6.340828 4.389330\nLi Cu P\n5 4 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000001 0.721828 0.278172 Li\n0.827266 0.327266 0.327266 Li\n0.172734 0.672734 0.672734 Li\n0.000001 0.278172 0.721828 Li\n0.266694 0.439616 0.093774 Cu\n0.266694 0.093774 0.439616 Cu\n0.733306 0.906226 0.560384 Cu\n0.733306 0.560384 0.906226 Cu\n0.375853 0.728862 0.022845 P\n0.624147 0.977156 0.271139 P\n0.500000 0.586058 0.413943 P\n0.500000 0.413943 0.586058 P\n0.375853 0.022845 0.728862 P\n0.624147 0.271139 0.977156 P\n",
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{
"id": "jvasp-19362",
"created_at": "2022-09-04T14:38:35.334605Z",
"updated_at": "2022-09-04T14:38:35.334624Z",
"structure_string": "Zn4 Cu2 Sb2 O12\n1.0\n0.000000 5.349300 -0.038243\n7.541319 0.000000 0.000000\n0.000000 -0.801380 -5.355337\nZn Cu Sb O\n4 2 2 12\ndirect\n0.561695 0.250000 0.529973 Zn\n0.438305 0.750000 0.470027 Zn\n0.017896 0.250000 0.061988 Zn\n0.982104 0.750000 0.938012 Zn\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.324447 0.441145 0.654931 O\n0.914729 0.250000 0.407820 O\n0.675553 0.941145 0.345069 O\n0.594892 0.750000 0.873519 O\n0.799492 0.074481 0.857686 O\n0.200508 0.925519 0.142314 O\n0.799492 0.425519 0.857686 O\n0.324447 0.058855 0.654931 O\n0.405108 0.250000 0.126481 O\n0.675553 0.558855 0.345069 O\n0.200508 0.574481 0.142314 O\n0.085271 0.750000 0.592181 O\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T14:35:44.594796Z",
"updated_at": "2022-09-04T14:35:44.594810Z",
"structure_string": "Re2 F14\n1.0\n2.762214 4.277620 -0.130916\n-2.722357 4.304924 0.275508\n-0.055720 -0.083073 9.191508\nRe F\n2 14\ndirect\n0.871263 0.857321 0.753335 Re\n0.128736 0.142680 0.246665 Re\n0.575677 0.164978 0.647726 F\n0.424322 0.835023 0.352274 F\n0.166859 0.564756 0.866543 F\n0.833140 0.435245 0.133457 F\n0.721991 0.058034 0.920610 F\n0.278008 0.941967 0.079390 F\n0.149860 0.790354 0.611703 F\n0.850138 0.209647 0.388297 F\n0.633442 0.694924 0.836511 F\n0.366557 0.305078 0.163489 F\n0.799802 0.632970 0.612550 F\n0.200196 0.367031 0.387450 F\n0.055329 0.108469 0.783072 F\n0.944669 0.891532 0.216928 F\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:37:15.380638Z",
"updated_at": "2022-09-04T14:37:15.380657Z",
"structure_string": "Mg2 Ta4 O12\n1.0\n0.000000 5.530529 -0.000136\n5.179123 0.000000 0.000000\n0.000000 -0.000235 -7.550636\nMg Ta O\n2 4 12\ndirect\n0.176962 0.466111 0.250002 Mg\n0.823037 0.966110 0.749999 Mg\n0.738638 0.489717 0.002399 Ta\n0.261361 0.989716 0.997602 Ta\n0.261359 0.989715 0.502403 Ta\n0.738640 0.489716 0.497598 Ta\n0.728169 0.351178 0.750001 O\n0.271830 0.851178 0.250000 O\n0.434585 0.321605 0.068061 O\n0.565415 0.821605 0.931940 O\n0.976634 0.225356 0.440687 O\n0.976635 0.225360 0.059316 O\n0.023364 0.725360 0.940685 O\n0.788638 0.598299 0.250001 O\n0.565415 0.821605 0.568061 O\n0.434584 0.321605 0.431940 O\n0.023365 0.725356 0.559314 O\n0.211362 0.098299 0.750000 O\n",
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],
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"density": 7.4045267664798295,
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"formula_full": "Mg2 Ta4 O12",
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"spacegroup": 31
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{
"id": "jvasp-66490",
"created_at": "2022-09-04T14:35:48.628696Z",
"updated_at": "2022-09-04T14:35:48.628719Z",
"structure_string": "Ba4 Sc1 Re1\n1.0\n0.000000 4.764268 4.764268\n4.764268 -0.000000 4.764268\n4.764268 4.764268 0.000000\nBa Sc Re\n4 1 1\ndirect\n0.127702 0.624099 0.624099 Ba\n0.624099 0.624099 0.624099 Ba\n0.624099 0.127702 0.624099 Ba\n0.624099 0.624099 0.127702 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Re\n",
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},
{
"id": "jvasp-117353",
"created_at": "2022-09-04T14:38:27.023847Z",
"updated_at": "2022-09-04T14:38:27.023870Z",
"structure_string": "K2 Al2 C2 O10\n1.0\n6.252472 0.466135 0.000000\n-2.794873 5.612431 0.000000\n0.000000 0.000000 5.943181\nK Al C O\n2 2 2 10\ndirect\n0.376904 0.623097 0.250000 K\n0.623097 0.376904 0.750000 K\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.755291 0.244710 0.250000 C\n0.244710 0.755291 0.750000 C\n0.632794 0.367207 0.250000 O\n0.367207 0.632794 0.750000 O\n0.815916 0.184085 0.057676 O\n0.184085 0.815916 0.942324 O\n0.184085 0.815916 0.557676 O\n0.815916 0.184085 0.442324 O\n0.866785 0.820672 0.250000 O\n0.133215 0.179328 0.750000 O\n0.179328 0.133215 0.250000 O\n0.820672 0.866786 0.750000 O\n",
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"formula_full": "K2 Al2 C2 O10",
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},
{
"id": "jvasp-10752",
"created_at": "2022-09-04T14:37:08.611654Z",
"updated_at": "2022-09-04T14:37:08.611668Z",
"structure_string": "Ca4 V2 N6\n1.0\n4.939476 0.000000 -0.000000\n-0.000000 6.567404 -1.687703\n0.000000 -0.393776 6.769349\nCa V N\n4 2 6\ndirect\n0.750001 0.801271 0.615602 Ca\n0.250000 0.096169 0.903830 Ca\n0.750001 0.892466 0.107534 Ca\n0.750001 0.384398 0.198728 Ca\n0.250000 0.717923 0.282077 V\n0.750001 0.300212 0.699787 V\n0.750001 0.565775 0.810100 N\n0.250000 0.444636 0.168987 N\n0.750001 0.126282 0.873717 N\n0.250000 0.880043 0.119957 N\n0.750001 0.189900 0.434224 N\n0.250000 0.831012 0.555364 N\n",
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{
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"created_at": "2022-09-04T14:37:10.291189Z",
"updated_at": "2022-09-04T14:37:10.291203Z",
"structure_string": "Ca2 Ho2 Mn4 O12\n1.0\n5.271271 0.000000 0.000000\n0.000000 5.471409 0.000000\n0.000000 0.000000 7.500296\nCa Ho Mn O\n2 2 4 12\ndirect\n0.488504 0.697012 0.000000 Ca\n0.988503 0.302988 0.500000 Ca\n0.016563 0.184823 0.000000 Ho\n0.516563 0.815178 0.500000 Ho\n0.000635 0.745583 0.749878 Mn\n0.000635 0.745583 0.250123 Mn\n0.500635 0.254417 0.249878 Mn\n0.500635 0.254417 0.750123 Mn\n0.791747 0.039638 0.705311 O\n0.696292 0.551795 0.701140 O\n0.696292 0.551795 0.298861 O\n0.598810 0.272484 0.000000 O\n0.418784 0.223390 0.500000 O\n0.196292 0.448205 0.798861 O\n0.291747 0.960363 0.794690 O\n0.196292 0.448205 0.201140 O\n0.791747 0.039638 0.294690 O\n0.098810 0.727517 0.500000 O\n0.291747 0.960363 0.205310 O\n0.918784 0.776610 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:08.880297Z",
"updated_at": "2022-09-04T14:37:08.880317Z",
"structure_string": "Mn6 O3 F9\n1.0\n4.778855 -0.134389 0.000000\n-0.134389 4.778855 0.000000\n0.000000 0.000000 9.480133\nMn O F\n6 3 9\ndirect\n0.955874 0.955874 0.000000 Mn\n0.028942 0.028942 0.332651 Mn\n0.028942 0.028942 0.667349 Mn\n0.492160 0.492160 0.833498 Mn\n0.492160 0.492160 0.166502 Mn\n0.492421 0.492421 0.500000 Mn\n0.320846 0.320846 0.668274 O\n0.663815 0.663815 0.000000 O\n0.320846 0.320846 0.331725 O\n0.823387 0.215324 0.500000 F\n0.192527 0.789868 0.167317 F\n0.215324 0.823387 0.500000 F\n0.192527 0.789868 0.832683 F\n0.268412 0.268412 0.000000 F\n0.716044 0.716044 0.340696 F\n0.716044 0.716044 0.659303 F\n0.789868 0.192527 0.167317 F\n0.789868 0.192527 0.832683 F\n",
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},
{
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"updated_at": "2022-09-04T14:37:38.968412Z",
"structure_string": "Nd4 B16\n1.0\n7.241142 0.000000 -0.000000\n0.000000 7.241142 -0.000000\n-0.000000 -0.000000 4.126046\nNd B\n4 16\ndirect\n0.182574 0.682574 0.000000 Nd\n0.682574 0.817426 0.000000 Nd\n0.317426 0.182574 0.000000 Nd\n0.817426 0.317426 0.000000 Nd\n0.500000 0.500000 0.795064 B\n0.000000 0.000000 0.204937 B\n0.325889 0.461182 0.500000 B\n0.674111 0.538817 0.500000 B\n0.538817 0.325889 0.500000 B\n0.461182 0.674111 0.500000 B\n0.961182 0.825889 0.500000 B\n0.174111 0.961182 0.500000 B\n0.000000 0.000000 0.795064 B\n0.038817 0.174111 0.500000 B\n0.088191 0.411809 0.500000 B\n0.411809 0.911809 0.500000 B\n0.588191 0.088191 0.500000 B\n0.911809 0.588191 0.500000 B\n0.825889 0.038817 0.500000 B\n0.500000 0.500000 0.204937 B\n",
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{
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"created_at": "2022-09-04T14:38:27.030979Z",
"updated_at": "2022-09-04T14:38:27.031003Z",
"structure_string": "Zr2 Si6 Pd6\n1.0\n8.112462 -0.019595 0.000000\n-7.204355 3.729570 0.000000\n0.000000 -0.000000 7.184810\nZr Si Pd\n2 6 6\ndirect\n0.991482 0.008520 0.250000 Zr\n0.008520 0.991481 0.750000 Zr\n0.573339 0.426662 0.030519 Si\n0.426662 0.573339 0.969480 Si\n0.426662 0.573339 0.530519 Si\n0.573339 0.426662 0.469481 Si\n0.739877 0.260125 0.250000 Si\n0.260125 0.739876 0.750000 Si\n0.342595 0.657406 0.250000 Pd\n0.657407 0.342595 0.750000 Pd\n0.823627 0.176375 0.554275 Pd\n0.176375 0.823626 0.445725 Pd\n0.176375 0.823626 0.054275 Pd\n0.823627 0.176375 0.945725 Pd\n",
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}
]
}