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{
"id": "jvasp-105942",
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"structure_string": "Mn1 Co3 C1\n1.0\n3.748234 0.000000 0.000000\n-0.000000 3.748234 0.000000\n-0.000000 -0.000000 3.748234\nMn Co C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Mg4 V2 O8\n1.0\n5.135516 -0.000000 2.964991\n1.711839 4.841810 2.964991\n-0.000000 0.000000 5.929982\nMg V O\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 -0.000000 Mg\n0.500001 0.500000 0.499999 Mg\n0.125000 0.125000 0.125000 V\n0.875001 0.875000 0.874999 V\n0.748845 0.748844 0.748843 O\n0.251156 0.251156 0.746530 O\n0.251157 0.746531 0.251156 O\n0.746531 0.251156 0.251156 O\n0.748845 0.253469 0.748843 O\n0.253470 0.748844 0.748843 O\n0.251156 0.251156 0.251156 O\n0.748845 0.748844 0.253469 O\n",
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{
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"structure_string": "Mg4 V2 O8\n1.0\n5.135516 -0.000000 2.964991\n1.711839 4.841810 2.964991\n-0.000000 0.000000 5.929982\nMg V O\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 -0.000000 Mg\n0.500001 0.500000 0.499999 Mg\n0.125000 0.125000 0.125000 V\n0.875001 0.875000 0.874999 V\n0.748845 0.748844 0.748843 O\n0.251156 0.251156 0.746530 O\n0.251157 0.746531 0.251156 O\n0.746531 0.251156 0.251156 O\n0.748845 0.253469 0.748843 O\n0.253470 0.748844 0.748843 O\n0.251156 0.251156 0.251156 O\n0.748845 0.748844 0.253469 O\n",
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"spacegroup": 227
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{
"id": "jvasp-113239",
"created_at": "2022-09-04T14:38:45.656261Z",
"updated_at": "2022-09-04T14:38:45.656288Z",
"structure_string": "Li7 Cr2 O8\n1.0\n5.103513 0.058433 0.685070\n1.755256 4.575470 1.756315\n0.092247 0.086587 7.742532\nLi Cr O\n7 2 8\ndirect\n0.764334 0.223242 0.010642 Li\n0.269202 0.228641 0.208241 Li\n0.712450 0.066218 0.450387 Li\n0.242139 0.950124 0.543267 Li\n0.798064 0.515347 0.567558 Li\n0.725173 0.775676 0.812892 Li\n0.224636 0.794943 -0.004003 Li\n0.293625 0.372656 0.767013 Cr\n0.703754 0.621207 0.227415 Cr\n0.550702 0.497935 0.789942 O\n0.845770 0.813125 0.029139 O\n0.500011 0.469416 0.164208 O\n0.947715 0.307109 0.382581 O\n0.544935 0.848837 0.364980 O\n0.435526 0.116045 0.653181 O\n0.023949 0.688738 0.638005 O\n0.164074 0.200848 0.979761 O\n",
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{
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"created_at": "2022-09-04T14:38:06.308050Z",
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"structure_string": "Ru2 C2\n1.0\n-1.391693 -2.410482 -0.000000\n-2.783384 0.000000 0.000000\n-1.391693 -0.803494 -6.279288\nRu C\n2 2\ndirect\n0.228806 0.228806 0.313580 Ru\n0.771192 0.771192 0.686420 Ru\n0.036943 0.036944 0.889169 C\n0.963055 0.963054 0.110831 C\n",
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{
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"created_at": "2022-09-04T14:38:51.263979Z",
"updated_at": "2022-09-04T14:38:51.263998Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n4.768495 0.000379 0.037438\n0.026374 5.509924 0.584227\n-0.000171 0.159098 7.633418\nLi V O F\n1 6 7 5\ndirect\n0.499412 0.217793 0.778483 Li\n0.488368 0.510183 0.010812 V\n0.521296 0.803556 0.643448 V\n0.539916 0.168678 0.346674 V\n0.982979 0.356498 0.673470 V\n0.967491 0.671612 0.306780 V\n0.988298 -0.005386 0.017646 V\n0.818851 0.642735 0.550748 O\n0.798360 0.303331 0.907280 O\n0.788549 0.975521 0.240920 O\n0.697129 0.469174 0.237897 O\n0.317103 0.522997 0.762418 O\n0.201041 0.708691 0.084378 O\n0.695300 0.139677 0.580520 O\n0.297236 0.855403 0.419712 F\n0.196738 0.362768 0.428019 F\n0.198876 0.024486 0.765786 F\n0.295225 0.197156 0.109321 F\n0.694162 0.810927 0.895541 F\n",
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{
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"created_at": "2022-09-04T14:38:43.277370Z",
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"structure_string": "H8 C16 S2 O4\n1.0\n3.637060 -0.047309 0.141287\n0.904978 8.721644 3.069959\n-0.021480 -0.104376 9.910657\nH C S O\n8 16 2 4\ndirect\n0.737283 0.871376 0.708352 H\n0.737281 0.371377 0.208352 H\n0.236706 0.099117 0.216940 H\n0.236707 0.599117 0.716940 H\n0.217585 0.255701 0.382916 H\n0.217586 0.755700 0.882917 H\n0.737972 0.712374 0.546955 H\n0.737970 0.212374 0.046955 H\n0.594273 0.333378 0.753166 C\n0.594274 0.833378 0.253166 C\n0.617472 0.330307 0.011631 C\n0.617473 0.830306 0.511631 C\n0.616028 0.418518 0.102855 C\n0.616029 0.918517 0.602855 C\n0.494847 0.397410 0.870911 C\n0.494848 0.897410 0.370911 C\n0.481151 0.071599 0.551322 C\n0.337666 0.549457 0.825576 C\n0.337666 0.049458 0.325576 C\n0.324584 0.635997 0.916341 C\n0.324584 0.135997 0.416341 C\n0.474308 0.682535 0.248065 C\n0.474307 0.182536 0.748065 C\n0.481151 0.571599 0.051322 C\n0.282753 0.056466 0.878809 S\n0.282754 0.556466 0.378809 S\n0.772922 0.910343 0.152210 O\n0.547931 0.180520 0.614695 O\n0.547931 0.680520 0.114695 O\n0.772921 0.410343 0.652211 O\n",
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{
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"created_at": "2022-09-04T14:38:45.554694Z",
"updated_at": "2022-09-04T14:38:45.554719Z",
"structure_string": "V1 Zn1 O4\n1.0\n3.201811 -3.414490 0.000000\n3.201811 3.414490 0.000000\n0.000000 0.000000 2.890316\nV Zn O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Zn\n0.210483 0.210483 0.500000 O\n0.680655 0.319345 0.000000 O\n0.319345 0.680655 0.000000 O\n0.789518 0.789518 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:07.857023Z",
"updated_at": "2022-09-04T14:38:07.857055Z",
"structure_string": "Mn2 Zn2 Si2 O10\n1.0\n5.155341 -0.061568 -0.045824\n-1.144134 5.231379 0.008713\n-1.915281 -2.394428 6.283152\nMn Zn Si O\n2 2 2 10\ndirect\n0.004250 0.494927 0.514556 Mn\n0.004245 0.494913 0.014557 Mn\n0.304203 0.171069 0.786959 Zn\n0.704310 0.818802 0.242135 Zn\n0.688971 0.830187 0.748960 Si\n0.319528 0.159647 0.280148 Si\n0.753463 0.693477 0.934857 O\n0.942930 0.838560 0.645714 O\n0.255012 0.296339 0.094239 O\n0.065584 0.151295 0.383406 O\n0.632463 0.297950 0.469016 O\n0.319676 0.841344 0.167722 O\n0.376041 0.691898 0.560088 O\n0.688816 0.148483 0.861399 O\n0.881494 0.533289 0.247698 O\n0.127003 0.456563 0.781414 O\n",
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{
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"structure_string": "Hf1 Mg1 O2\n1.0\n2.558581 -1.477498 -0.002404\n2.558581 1.477498 -0.002404\n-1.697522 0.000000 5.574412\nHf Mg O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Mg\n0.237232 0.237232 0.712090 O\n0.762767 0.762767 0.287910 O\n",
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{
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"structure_string": "Li4 Ni2 P4 O14\n1.0\n5.103803 -0.008670 0.028779\n0.548839 6.094091 -0.079011\n0.477686 2.770164 8.092195\nLi Ni P O\n4 2 4 14\ndirect\n0.796772 0.208527 0.460075 Li\n0.700400 0.058192 0.842220 Li\n0.299601 0.941807 0.157781 Li\n0.203228 0.791472 0.539926 Li\n0.755492 0.564819 0.732695 Ni\n0.244509 0.435180 0.267306 Ni\n0.789259 0.210185 0.125886 P\n0.715235 0.741291 0.351543 P\n0.284765 0.258708 0.648458 P\n0.210742 0.789813 0.874115 P\n0.270954 0.704669 0.055918 O\n0.205773 0.155147 0.517673 O\n0.255753 0.066204 0.832693 O\n0.418318 0.703544 0.362521 O\n0.403014 0.711713 0.757465 O\n0.596987 0.288286 0.242536 O\n0.894179 0.536695 0.341666 O\n0.744248 0.933795 0.167308 O\n0.794227 0.844851 0.482328 O\n0.729047 0.295330 0.944082 O\n0.105822 0.463303 0.658335 O\n0.921891 0.787127 0.833498 O\n0.581683 0.296455 0.637479 O\n0.078110 0.212872 0.166503 O\n",
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{
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"structure_string": "Li6 Fe2 F12\n1.0\n4.266813 2.463445 3.340745\n-4.266812 2.463446 3.340745\n-0.000000 -4.926891 3.340745\nLi Fe F\n6 2 12\ndirect\n0.060944 0.557391 0.249781 Li\n0.442610 0.750220 0.939057 Li\n0.750220 0.939058 0.442610 Li\n0.249782 0.060944 0.557391 Li\n0.557391 0.249782 0.060944 Li\n0.939057 0.442610 0.750220 Li\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500001 0.500001 Fe\n0.551106 0.193199 0.395293 F\n0.306193 0.086964 0.924729 F\n0.806802 0.604709 0.448895 F\n0.604709 0.448895 0.806803 F\n0.395293 0.551106 0.193199 F\n0.075272 0.693808 0.913037 F\n0.693808 0.913037 0.075272 F\n0.448895 0.806803 0.604709 F\n0.924729 0.306193 0.086964 F\n0.086965 0.924730 0.306193 F\n0.193199 0.395293 0.551106 F\n0.913037 0.075272 0.693809 F\n",
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}