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{
"id": "jvasp-37064",
"created_at": "2022-09-04T14:38:02.474697Z",
"updated_at": "2022-09-04T14:38:02.474713Z",
"structure_string": "Tc2 B2\n1.0\n1.498903 -2.596176 0.000000\n1.498903 2.596176 0.000000\n-0.000000 -0.000000 5.415586\nTc B\n2 2\ndirect\n0.333332 0.666666 0.250000 Tc\n0.666666 0.333332 0.750001 Tc\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n",
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{
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"structure_string": "Li3 Co5 O1 F11\n1.0\n4.932387 0.039481 1.418767\n-2.827614 4.813586 0.502972\n0.039514 0.235030 8.909783\nLi Co O F\n3 5 1 11\ndirect\n0.161313 0.373712 0.058028 Li\n0.144496 0.859416 0.582046 Li\n0.859062 0.641239 0.930035 Li\n0.358876 0.872613 0.162495 Co\n0.335560 0.358660 0.658604 Co\n0.626055 0.613235 0.339809 Co\n0.653121 0.136376 0.838520 Co\n0.876499 0.127622 0.424091 Co\n0.239613 0.288853 0.469552 O\n0.558007 0.112946 0.629044 F\n0.426174 0.362974 0.867516 F\n0.766502 0.720546 0.534202 F\n0.756509 0.238416 0.037518 F\n0.053436 0.026763 0.210740 F\n0.557568 0.624574 0.123487 F\n0.449637 0.893710 0.375262 F\n0.050761 0.527695 0.724037 F\n0.947120 0.482908 0.281192 F\n0.247660 0.772870 0.965762 F\n0.932042 0.964876 0.788055 F\n",
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{
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"created_at": "2022-09-04T14:37:28.968398Z",
"updated_at": "2022-09-04T14:37:28.968426Z",
"structure_string": "Nd1 Cu3 Ru4 O12\n1.0\n6.121678 -0.000000 -2.164340\n-3.060839 5.301528 -2.164340\n-0.000000 -0.000000 6.493020\nNd Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.171881 0.867681 0.695801 O\n0.132319 0.304199 0.828119 O\n0.695801 0.171881 0.867681 O\n0.523920 0.695801 0.828119 O\n0.828119 0.132319 0.304199 O\n0.867681 0.695801 0.171881 O\n0.476081 0.304199 0.171881 O\n0.171881 0.476081 0.304199 O\n0.695801 0.828119 0.523919 O\n0.304199 0.828119 0.132319 O\n0.304199 0.171881 0.476081 O\n0.828119 0.523920 0.695801 O\n",
"nsites": 20,
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"density": 7.337561746905203,
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"formula_full": "Nd1 Cu3 Ru4 O12",
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{
"id": "jvasp-44785",
"created_at": "2022-09-04T14:38:09.840004Z",
"updated_at": "2022-09-04T14:38:09.840028Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n5.549130 -0.007705 -0.020119\n0.120700 5.548684 -0.013638\n0.040333 0.029256 6.159074\nLi Fe O F\n8 2 6 2\ndirect\n0.122699 0.027050 0.303649 Li\n0.799305 0.827647 0.495041 Li\n0.804035 0.822947 0.995050 Li\n0.299944 0.639161 0.213963 Li\n0.121113 0.391398 0.489018 Li\n0.615263 0.323370 0.713711 Li\n0.367419 0.144991 0.989000 Li\n0.003252 0.146225 0.803338 Li\n0.663861 0.299768 0.250677 Fe\n0.276181 0.687474 0.750927 Fe\n0.162628 0.862303 0.989209 O\n0.141071 0.745264 0.480626 O\n0.265855 0.355164 0.767002 O\n0.331492 0.289773 0.267050 O\n0.721343 0.164572 0.980299 O\n0.838595 0.186233 0.488929 O\n0.666054 0.672681 0.238445 F\n0.649116 0.689469 0.738437 F\n",
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{
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"created_at": "2022-09-04T14:38:41.349213Z",
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"structure_string": "Ti1 Zn1 N2\n1.0\n2.941339 0.000000 0.000000\n0.000000 2.941339 0.000000\n-0.000000 0.000000 4.871285\nTi Zn N\n1 1 2\ndirect\n0.500001 0.500001 0.556789 Ti\n0.000000 0.000000 0.042812 Zn\n0.000000 0.000000 0.474641 N\n0.500001 0.500001 0.935757 N\n",
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{
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"created_at": "2022-09-04T14:37:07.111622Z",
"updated_at": "2022-09-04T14:37:07.111637Z",
"structure_string": "Ba2 H8 O12\n1.0\n4.099604 4.432320 -0.364968\n-4.099604 4.432320 0.364968\n0.062568 0.000000 6.372455\nBa H O\n2 8 12\ndirect\n0.806605 0.806604 0.749999 Ba\n0.193396 0.193396 0.250000 Ba\n0.984474 0.670834 0.263700 H\n0.670834 0.984474 0.236300 H\n0.015526 0.329166 0.736299 H\n0.329166 0.015526 0.763700 H\n0.356729 0.731528 0.068404 H\n0.731528 0.356729 0.431595 H\n0.643271 0.268472 0.931595 H\n0.268472 0.643271 0.568404 H\n0.470060 0.096191 0.921690 O\n0.096192 0.470060 0.578309 O\n0.373165 0.772402 0.562895 O\n0.772402 0.373165 0.937104 O\n0.626835 0.227598 0.437105 O\n0.047762 0.775011 0.141325 O\n0.224989 0.952238 0.641325 O\n0.952239 0.224989 0.858674 O\n0.775011 0.047762 0.358674 O\n0.903809 0.529940 0.421691 O\n0.227598 0.626835 0.062895 O\n0.529940 0.903808 0.078309 O\n",
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"formula_full": "Ba2 H8 O12",
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{
"id": "jvasp-50018",
"created_at": "2022-09-04T14:37:14.191467Z",
"updated_at": "2022-09-04T14:37:14.191492Z",
"structure_string": "Li3 Cu3 P2 O8\n1.0\n5.053468 0.122237 -0.030804\n0.119727 5.497307 -0.026169\n-0.048703 -0.067037 6.071595\nLi Cu P O\n3 3 2 8\ndirect\n0.489797 0.156744 0.000774 Li\n0.985449 0.332203 0.750768 Li\n0.004813 0.850230 0.502469 Li\n0.523663 0.632457 0.758065 Cu\n0.523744 0.624142 0.240906 Cu\n0.952921 0.359593 0.249290 Cu\n0.008548 0.845719 0.994691 P\n0.486686 0.162100 0.504111 P\n0.882293 0.108194 0.984245 O\n0.314657 0.851977 0.000013 O\n0.920034 0.693540 0.789121 O\n0.374050 0.299988 0.712955 O\n0.794879 0.161457 0.508387 O\n0.386537 0.900457 0.501328 O\n0.378081 0.295466 0.291987 O\n0.916448 0.725738 0.210902 O\n",
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{
"id": "jvasp-47106",
"created_at": "2022-09-04T14:38:05.999640Z",
"updated_at": "2022-09-04T14:38:05.999657Z",
"structure_string": "Mn1 Co3 O8\n1.0\n-2.809785 1.622230 4.588361\n-0.000000 3.244461 -4.588361\n-2.837799 -1.638404 -4.599797\nMn Co O\n1 3 8\ndirect\n0.500001 0.500000 0.500001 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.737895 0.709291 0.766500 O\n0.737895 0.262106 0.766500 O\n0.265626 0.734375 0.796875 O\n0.290710 0.262106 0.766499 O\n0.709291 0.737895 0.233502 O\n0.734375 0.265625 0.203126 O\n0.262106 0.737895 0.233501 O\n0.262106 0.290710 0.233501 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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{
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"updated_at": "2022-09-04T14:38:02.382337Z",
"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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"created_at": "2022-09-04T14:38:44.700422Z",
"updated_at": "2022-09-04T14:38:44.700458Z",
"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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"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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}
]
}