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{
"id": "jvasp-43398",
"created_at": "2022-09-04T14:38:28.444116Z",
"updated_at": "2022-09-04T14:38:28.444136Z",
"structure_string": "Zr3 O6\n1.0\n5.449486 -0.024381 -0.005779\n-1.955834 5.086788 -0.014232\n-1.714156 -2.475612 4.915448\nZr O\n3 6\ndirect\n0.810109 0.671292 0.980666 Zr\n0.174325 0.307029 0.980634 Zr\n0.992221 0.489164 0.480651 Zr\n0.168462 0.665392 0.251257 O\n0.026660 0.863680 0.767309 O\n0.617717 0.454857 0.194076 O\n0.957775 0.114638 0.193992 O\n0.366715 0.523474 0.767230 O\n0.815971 0.312926 0.710039 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:29.206784Z",
"structure_string": "Ni10 Sb4\n1.0\n5.047492 -0.000000 -2.115995\n-1.113835 5.437700 -2.656941\n-0.003886 -0.004450 7.068870\nNi Sb\n10 4\ndirect\n0.752428 0.000000 0.000000 Ni\n0.250816 0.000000 0.000000 Ni\n0.375962 0.153108 0.748691 Ni\n0.627271 0.846892 0.251309 Ni\n0.897316 0.596195 0.791407 Ni\n0.105909 0.403805 0.208593 Ni\n0.523256 0.745480 0.541461 Ni\n0.981794 0.254520 0.458540 Ni\n0.021472 0.745503 0.541484 Ni\n0.479988 0.254497 0.458517 Ni\n0.876581 0.153774 0.749928 Sb\n0.126655 0.846226 0.250072 Sb\n0.396731 0.598372 0.790209 Sb\n0.606522 0.401628 0.209791 Sb\n",
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{
"id": "jvasp-117819",
"created_at": "2022-09-04T14:38:28.679627Z",
"updated_at": "2022-09-04T14:38:28.679657Z",
"structure_string": "Y1 Br1 O2\n1.0\n3.153162 -1.793955 0.130197\n3.153162 1.793955 0.130197\n-1.142592 0.000000 5.903708\nY Br O\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Y\n0.999999 0.999999 0.500001 Br\n0.147666 0.147666 0.837376 O\n0.852333 0.852333 0.162625 O\n",
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{
"id": "jvasp-35956",
"created_at": "2022-09-04T14:38:28.760796Z",
"updated_at": "2022-09-04T14:38:28.760821Z",
"structure_string": "Li2 C4 N4\n1.0\n3.368212 0.220777 -0.227654\n-0.618861 5.764147 -1.884552\n0.303624 -0.088816 6.087680\nLi C N\n2 4 4\ndirect\n0.499999 0.363129 0.636872 Li\n0.499999 0.636872 0.363130 Li\n-0.000001 0.118744 0.881255 C\n0.194136 0.140699 0.140698 C\n0.000000 0.881255 0.118746 C\n0.805862 0.859300 0.859301 C\n0.631117 0.708948 0.708949 N\n-0.000000 0.760504 0.239498 N\n-0.000001 0.239497 0.760502 N\n0.368884 0.291054 0.291054 N\n",
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"elements": [
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"formula_full": "Li2 C4 N4",
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{
"id": "jvasp-26342",
"created_at": "2022-09-04T14:38:28.820913Z",
"updated_at": "2022-09-04T14:38:28.820939Z",
"structure_string": "Hg1 Pb2 Cl2 O2\n1.0\n3.793530 -0.000034 1.099267\n1.483365 5.742831 1.976133\n-0.002534 -0.035645 7.104249\nHg Pb Cl O\n1 2 2 2\ndirect\n-0.000000 -0.000000 0.000000 Hg\n0.819310 0.611106 0.750283 Pb\n0.180690 0.388895 0.249717 Pb\n0.430201 0.795541 0.344070 Cl\n0.569799 0.204460 0.655930 Cl\n0.193279 0.680292 0.933160 O\n0.806720 0.319709 0.066840 O\n",
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"volume": 154.9957845490772,
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{
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"created_at": "2022-09-04T14:38:28.878167Z",
"updated_at": "2022-09-04T14:38:28.878193Z",
"structure_string": "Zr4 Co2 Si4\n1.0\n3.797162 0.000000 0.884158\n1.835668 4.973616 0.712267\n0.002330 -0.018412 8.585839\nZr Co Si\n4 2 4\ndirect\n0.811613 0.274664 0.102109 Zr\n0.188386 0.725337 0.897892 Zr\n0.998013 0.329079 0.674896 Zr\n0.001986 0.670922 0.325105 Zr\n0.278086 0.070921 0.372906 Co\n0.721913 0.929080 0.627095 Co\n0.644524 0.281482 0.429469 Si\n0.355475 0.718519 0.570531 Si\n0.513354 0.850309 0.122984 Si\n0.486646 0.149692 0.877016 Si\n",
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],
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"density_atomic": 0.0616680177662793,
"volume": 162.1586093118774,
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{
"id": "jvasp-46441",
"created_at": "2022-09-04T14:38:28.883846Z",
"updated_at": "2022-09-04T14:38:28.883880Z",
"structure_string": "Li4 Cr1 Fe3 O8\n1.0\n1.436126 0.829144 4.754447\n5.742559 0.000515 0.000480\n-2.870832 4.972416 -0.000001\nLi Cr Fe O\n4 1 3 8\ndirect\n0.001535 0.998768 0.499383 Li\n0.998465 0.001232 0.000615 Li\n0.000000 0.500000 0.498846 Li\n0.000000 0.500000 0.001153 Li\n0.500000 0.500000 0.249999 Cr\n0.500000 0.000001 0.750000 Fe\n0.500000 0.000000 0.250000 Fe\n0.500000 0.500000 0.750000 Fe\n0.274904 0.241671 0.620834 O\n0.726191 0.257525 0.878042 O\n0.274598 0.240912 0.120456 O\n0.726192 0.257524 0.379483 O\n0.273809 0.742476 0.621958 O\n0.725097 0.758329 0.879164 O\n0.273809 0.742476 0.120515 O\n0.725403 0.759088 0.379543 O\n",
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"formula_full": "Li4 Cr1 Fe3 O8",
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{
"id": "jvasp-119271",
"created_at": "2022-09-04T14:38:29.064809Z",
"updated_at": "2022-09-04T14:38:29.064841Z",
"structure_string": "Na2 Ni4 O6\n1.0\n4.569964 -0.008224 -2.367153\n1.661550 4.869954 0.998653\n0.056012 -0.007612 5.146674\nNa Ni O\n2 4 6\ndirect\n0.831597 0.499984 0.168448 Na\n0.168396 0.500016 0.831557 Na\n0.499999 0.500000 0.499999 Ni\n0.665075 0.000041 0.334945 Ni\n0.000001 -0.000000 -0.000000 Ni\n0.334925 -0.000040 0.665052 Ni\n0.315674 0.257843 0.315582 O\n0.684329 0.742157 0.684412 O\n0.915387 0.197398 0.610068 O\n0.609999 0.197537 0.915071 O\n0.084607 0.802612 0.389924 O\n0.390006 0.802454 0.084932 O\n",
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{
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"structure_string": "Te3\n1.0\n5.845530 0.030721 -0.113250\n-0.062270 3.866036 -2.165356\n0.066496 -0.052837 4.438545\nTe\n3\ndirect\n0.664541 0.683680 0.367359 Te\n0.335460 0.316320 0.632641 Te\n0.000000 0.000000 0.000000 Te\n",
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{
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"created_at": "2022-09-04T14:38:28.951582Z",
"updated_at": "2022-09-04T14:38:28.951613Z",
"structure_string": "Y2 V2 O7\n1.0\n3.364226 4.711917 0.196727\n-3.364226 4.711917 -0.196727\n-1.265662 0.000000 5.001412\nY V O\n2 2 7\ndirect\n0.310623 0.310623 0.500000 Y\n0.689378 0.689378 0.500000 Y\n0.241109 0.758892 0.903606 V\n0.758892 0.241109 0.096394 V\n0.069990 0.607396 0.710513 O\n0.392605 0.930011 0.710513 O\n0.414821 0.585179 0.222902 O\n0.585180 0.414821 0.777097 O\n0.000000 0.000000 0.000000 O\n0.607396 0.069990 0.289487 O\n0.930011 0.392604 0.289487 O\n",
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{
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"created_at": "2022-09-04T14:38:28.985098Z",
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"structure_string": "Mn6 O10 F2\n1.0\n-4.575930 4.575930 2.915683\n-0.076726 4.498672 -2.915508\n-4.498672 0.076726 -2.915508\nMn O F\n6 10 2\ndirect\n0.820616 0.662333 0.662333 Mn\n0.666667 0.333333 0.333333 Mn\n0.345387 0.648083 0.648083 Mn\n0.166667 0.333333 0.333333 Mn\n0.512717 0.004335 0.004335 Mn\n0.987947 0.018585 0.018585 Mn\n0.000188 0.700329 0.307632 O\n0.000188 0.307632 0.700329 O\n0.666667 0.637287 0.029380 O\n0.333145 0.966337 0.359036 O\n0.374208 0.427882 0.427882 O\n0.631370 0.560579 0.560579 O\n0.959124 0.238786 0.238786 O\n0.333145 0.359036 0.966337 O\n0.666667 0.029380 0.637287 O\n0.701962 0.106088 0.106088 O\n0.298508 0.895452 0.895452 F\n0.034824 0.771217 0.771217 F\n",
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}
]
}