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{
"id": "jvasp-104584",
"created_at": "2022-09-04T14:36:51.689105Z",
"updated_at": "2022-09-04T14:36:51.689129Z",
"structure_string": "K3 Zn1\n1.0\n5.738307 -0.000000 0.000000\n0.000000 5.738307 0.000000\n-0.000000 -0.000000 5.738307\nK Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n-0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Zn\n",
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{
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"structure_string": "Mn6 O7 F5\n1.0\n4.633984 0.007584 -0.020796\n0.159607 5.460461 -0.052812\n0.154616 0.464820 7.462481\nMn O F\n6 7 5\ndirect\n0.447077 0.488133 0.007353 Mn\n0.522251 0.843878 0.672736 Mn\n0.544416 0.180103 0.323451 Mn\n0.990090 0.319435 0.666542 Mn\n0.984867 0.656305 0.339963 Mn\n-0.001038 0.002004 0.987036 Mn\n0.179300 0.291337 0.896803 O\n0.307891 0.793883 0.904894 O\n0.304399 0.481920 0.240438 O\n0.684789 0.199773 0.092555 O\n0.823536 0.014718 0.767263 O\n0.816418 0.380259 0.433109 O\n0.712126 0.869814 0.432727 O\n0.195216 0.648738 0.569046 F\n0.807086 0.692320 0.104736 F\n0.672314 0.506060 0.778129 F\n0.325171 0.159615 0.551293 F\n0.184097 0.971698 0.231921 F\n",
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{
"id": "jvasp-19372",
"created_at": "2022-09-04T14:38:36.751192Z",
"updated_at": "2022-09-04T14:38:36.751216Z",
"structure_string": "Mn4 Zn4 O12\n1.0\n5.038018 0.000000 0.000000\n0.000000 5.119533 0.000000\n0.000000 0.000000 7.325637\nMn Zn O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.996211 0.043360 0.250000 Zn\n0.496211 0.456639 0.750000 Zn\n0.503790 0.543360 0.250000 Zn\n0.003790 0.956639 0.750000 Zn\n0.183067 0.187731 0.938688 O\n0.683067 0.312269 0.061312 O\n0.316933 0.687731 0.938688 O\n0.816933 0.812269 0.061312 O\n0.183067 0.187731 0.561312 O\n0.385297 0.940066 0.250000 O\n0.114704 0.440066 0.250000 O\n0.614704 0.059933 0.750000 O\n0.316933 0.687731 0.561312 O\n0.885297 0.559933 0.750000 O\n0.683067 0.312269 0.438688 O\n0.816933 0.812269 0.438688 O\n",
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"density_atomic": 0.10585089619884999,
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"formula_full": "Mn4 Zn4 O12",
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{
"id": "jvasp-44466",
"created_at": "2022-09-04T14:38:07.525715Z",
"updated_at": "2022-09-04T14:38:07.525726Z",
"structure_string": "Mn4 Zn4 O12\n1.0\n5.038102 -0.000000 0.000000\n-0.000000 5.119484 0.000000\n0.000000 0.000000 7.325365\nMn Zn O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.996233 0.043355 0.250000 Zn\n0.496233 0.456644 0.750000 Zn\n0.503766 0.543355 0.250000 Zn\n0.003766 0.956644 0.750000 Zn\n0.816923 0.812267 0.061313 O\n0.316923 0.687732 0.561313 O\n0.316923 0.687732 0.938687 O\n0.885291 0.559960 0.750000 O\n0.114709 0.440039 0.250000 O\n0.183077 0.187732 0.561313 O\n0.683077 0.312267 0.061313 O\n0.183077 0.187732 0.938687 O\n0.816923 0.812267 0.438687 O\n0.614709 0.059961 0.750000 O\n0.683077 0.312267 0.438687 O\n0.385291 0.940039 0.250000 O\n",
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"spacegroup": 62
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{
"id": "jvasp-38010",
"created_at": "2022-09-04T14:37:19.447521Z",
"updated_at": "2022-09-04T14:37:19.447539Z",
"structure_string": "Na2 Ag2 C4 O8\n1.0\n3.226403 -0.007494 -0.232036\n0.124194 5.508565 -0.071736\n0.185613 0.170060 10.614785\nNa Ag C O\n2 2 4 8\ndirect\n0.375288 0.437202 0.156230 Na\n0.624709 0.562798 0.843769 Na\n0.697234 0.939111 0.335863 Ag\n0.302763 0.060889 0.664137 Ag\n0.071621 0.428159 0.441334 C\n0.928376 0.571841 0.558666 C\n0.908371 0.948038 0.060978 C\n0.091626 0.051962 0.939022 C\n0.118187 0.901664 0.848582 O\n0.881810 0.098336 0.151418 O\n0.200803 0.269691 0.938903 O\n0.799193 0.730309 0.061097 O\n0.015712 0.484914 0.667242 O\n-0.015715 0.515085 0.332758 O\n0.727323 0.769874 0.536703 O\n0.272673 0.230125 0.463296 O\n",
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"density_atomic": 0.08468445849762014,
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"spacegroup": 2
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{
"id": "jvasp-90069",
"created_at": "2022-09-04T14:36:16.630002Z",
"updated_at": "2022-09-04T14:36:16.630030Z",
"structure_string": "Lu3 Sn3 Pd3\n1.0\n0.000000 -0.000000 -3.815603\n-3.780718 -6.548395 0.000000\n-3.780697 6.548384 0.000000\nLu Sn Pd\n3 3 3\ndirect\n0.500000 0.599287 0.000000 Lu\n0.500000 0.400691 0.400701 Lu\n0.500000 0.999990 0.599300 Lu\n0.000000 0.265888 0.000000 Sn\n0.000000 0.734090 0.734101 Sn\n0.000000 0.999989 0.265900 Sn\n0.000000 0.333321 0.666666 Pd\n0.000000 0.666655 0.333334 Pd\n0.500000 0.999989 0.000001 Pd\n",
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"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-63408",
"created_at": "2022-09-04T14:36:17.366199Z",
"updated_at": "2022-09-04T14:36:17.366232Z",
"structure_string": "Rb1 Au1 Se2 O8\n1.0\n2.661461 5.381326 -0.018320\n-2.661461 5.381326 -0.018320\n0.000000 3.263090 6.584392\nRb Au Se O\n1 1 2 8\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.299385 0.299385 0.160554 Se\n0.700616 0.700616 0.839446 Se\n0.323102 0.323102 0.924992 O\n0.676899 0.676899 0.075007 O\n0.134310 0.634174 0.213475 O\n0.365827 0.865691 0.786525 O\n0.865691 0.365827 0.786525 O\n0.634174 0.134310 0.213475 O\n0.141526 0.141526 0.341430 O\n0.858475 0.858475 0.658570 O\n",
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{
"id": "jvasp-107608",
"created_at": "2022-09-04T14:37:03.674296Z",
"updated_at": "2022-09-04T14:37:03.674318Z",
"structure_string": "K2 Ag1 Sb1 F6\n1.0\n5.577775 -0.000000 3.220330\n1.859258 5.258777 3.220330\n-0.000000 -0.000000 6.440660\nK Ag Sb F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.739425 0.739424 0.260575 F\n0.739425 0.260576 0.260576 F\n0.260576 0.260576 0.739424 F\n0.739425 0.260576 0.739424 F\n0.260576 0.739424 0.260576 F\n0.260576 0.739424 0.739424 F\n",
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{
"id": "jvasp-31883",
"created_at": "2022-09-04T14:37:50.579102Z",
"updated_at": "2022-09-04T14:37:50.579128Z",
"structure_string": "Cr1 B6 H16\n1.0\n4.340963 -0.032990 -0.251236\n-2.179373 4.953289 -1.379369\n0.063296 0.154975 8.764459\nCr B H\n1 6 16\ndirect\n0.000001 0.500001 0.500000 Cr\n0.314883 0.615816 0.293043 B\n0.685118 0.384185 0.706957 B\n0.102300 0.323574 0.123436 B\n0.267549 0.298593 0.310588 B\n0.897701 0.676427 0.876564 B\n0.732452 0.701408 0.689412 B\n0.117343 0.108686 0.186553 H\n0.925256 0.796405 0.595934 H\n0.074745 0.203597 0.404066 H\n0.801255 0.241754 0.092843 H\n0.744430 0.702275 0.984992 H\n0.198746 0.758247 0.907157 H\n0.191629 0.609115 0.157416 H\n0.882658 0.891315 0.813447 H\n0.469767 0.724175 0.660104 H\n0.808372 0.390887 0.842584 H\n0.142956 0.722656 0.372713 H\n0.530235 0.275826 0.339896 H\n0.397634 0.223976 0.685645 H\n0.255572 0.297726 0.015008 H\n0.857045 0.277345 0.627287 H\n0.602367 0.776025 0.314355 H\n",
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{
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{
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"structure_string": "Ba2 Sb2 Au2\n1.0\n4.832311 0.000000 -0.000000\n-2.416156 4.184904 0.000000\n-0.000000 0.000000 9.340291\nBa Sb Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666666 0.333333 0.250000 Sb\n0.333332 0.666666 0.750000 Sb\n0.333332 0.666666 0.250000 Au\n0.666666 0.333333 0.750000 Au\n",
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{
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"updated_at": "2022-09-04T14:37:30.137873Z",
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}
]
}