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{
"id": "jvasp-42677",
"created_at": "2022-09-04T14:36:17.902213Z",
"updated_at": "2022-09-04T14:36:17.902229Z",
"structure_string": "Li5 Fe5 Co2 O12\n1.0\n5.005573 0.182492 -0.126308\n2.349191 4.423840 0.126308\n-0.661511 1.056211 9.548827\nLi Fe Co O\n5 5 2 12\ndirect\n0.166486 0.662332 0.506376 Li\n0.325933 0.844539 0.992660 Li\n0.662332 0.166485 0.993625 Li\n0.844540 0.325933 0.507341 Li\n0.914662 0.914661 0.750000 Li\n0.073891 0.073891 0.250000 Fe\n0.995087 0.512133 0.993814 Fe\n0.512134 0.995087 0.506186 Fe\n0.421520 0.421520 0.250000 Fe\n0.572494 0.572493 0.750000 Fe\n0.752896 0.752896 0.250000 Co\n0.253000 0.252999 0.750000 Co\n0.787773 0.037701 0.382749 O\n0.950303 0.235913 0.877708 O\n0.235914 0.950303 0.622293 O\n0.146190 0.354283 0.377407 O\n0.354283 0.146190 0.122593 O\n0.277464 0.546040 0.876789 O\n0.546041 0.277464 0.623212 O\n0.459371 0.717864 0.377710 O\n0.717864 0.459371 0.122290 O\n0.632797 0.859320 0.875662 O\n0.859321 0.632797 0.624338 O\n0.037701 0.787773 0.117252 O\n",
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{
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{
"id": "jvasp-46921",
"created_at": "2022-09-04T14:38:08.127356Z",
"updated_at": "2022-09-04T14:38:08.127384Z",
"structure_string": "Li4 Mn2 Ni2 O8\n1.0\n5.793512 -0.193142 0.051408\n0.159852 5.794526 0.051408\n-2.940713 -2.766850 4.035977\nLi Mn Ni O\n4 2 2 8\ndirect\n0.000000 0.500001 0.500001 Li\n0.500000 0.500001 0.500001 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500001 0.000000 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500001 Ni\n0.233693 0.766310 0.005997 O\n0.225120 0.230044 0.477579 O\n0.233691 0.766307 0.494005 O\n0.769957 0.774881 0.022423 O\n0.230044 0.225121 0.977579 O\n0.766309 0.233694 0.505997 O\n0.774880 0.769958 0.522423 O\n0.766307 0.233692 0.994005 O\n",
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{
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"created_at": "2022-09-04T14:36:05.134231Z",
"updated_at": "2022-09-04T14:36:05.134253Z",
"structure_string": "Al2 H6\n1.0\n3.942256 0.000205 2.608111\n1.401853 3.684588 2.608111\n0.000298 0.000205 4.726904\nAl H\n2 6\ndirect\n0.500000 0.500002 0.499999 Al\n0.000000 0.000000 0.000000 Al\n0.376846 0.750001 0.123153 H\n0.750000 0.123155 0.376845 H\n0.876846 0.623156 0.249999 H\n0.249999 0.876848 0.623153 H\n0.623154 0.250002 0.876844 H\n0.123154 0.376848 0.749999 H\n",
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{
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"structure_string": "Zr4 Cu2 H10\n1.0\n4.884547 -0.003170 2.996928\n3.527681 3.378501 2.996928\n0.005428 0.002178 8.318039\nZr Cu H\n4 2 10\ndirect\n0.919602 0.919601 0.843540 Zr\n0.080399 0.080399 0.156460 Zr\n0.326393 0.326393 0.574828 Zr\n0.673608 0.673607 0.425172 Zr\n0.622043 0.622043 0.848635 Cu\n0.377958 0.377958 0.151366 Cu\n0.863426 0.863425 0.425191 H\n0.136575 0.136575 0.574809 H\n0.534656 0.534655 0.329492 H\n0.465345 0.465345 0.670509 H\n0.685081 0.685080 0.022238 H\n0.314920 0.314920 0.977762 H\n0.817000 0.817000 0.703344 H\n0.183000 0.183000 0.296656 H\n0.119270 0.119270 0.860279 H\n0.880731 0.880730 0.139722 H\n",
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{
"id": "jvasp-93509",
"created_at": "2022-09-04T14:35:45.274784Z",
"updated_at": "2022-09-04T14:35:45.274807Z",
"structure_string": "H2 C4\n1.0\n0.000000 -2.461181 0.000000\n0.005860 -0.000000 3.480992\n-6.008481 1.230590 -0.302149\nH C\n2 4\ndirect\n0.048536 0.759826 0.395452 H\n0.653084 0.240173 0.604548 H\n0.408453 0.576042 0.115287 C\n0.293165 0.423957 0.884712 C\n0.961989 0.646657 0.222356 C\n0.739633 0.353342 0.777644 C\n",
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{
"id": "jvasp-103918",
"created_at": "2022-09-04T14:36:40.889347Z",
"updated_at": "2022-09-04T14:36:40.889378Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n4.022180 -0.029251 0.630223\n1.945798 4.049325 0.650372\n-0.230859 -0.229248 9.914951\nZn H C O\n1 8 6 4\ndirect\n0.243229 0.085911 0.213176 Zn\n0.588322 0.225457 0.362519 H\n0.080216 0.240197 0.543389 H\n0.457847 0.748575 0.641383 H\n0.885724 0.300946 0.791176 H\n0.372108 0.777598 0.908183 H\n0.639241 -0.005479 0.890385 H\n0.736422 0.959713 0.627903 H\n0.173168 0.500147 0.778822 H\n0.806469 0.590001 0.036610 C\n0.658854 0.743888 0.901070 C\n0.884202 0.545587 0.779454 C\n0.101769 0.618190 0.409462 C\n0.985620 0.504827 0.528047 C\n0.744753 0.712283 0.641544 C\n0.027092 0.284396 0.041772 O\n0.001641 0.929690 0.365347 O\n0.364220 0.390345 0.316606 O\n0.724425 0.756354 0.141415 O\n",
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{
"id": "jvasp-101786",
"created_at": "2022-09-04T14:36:52.709630Z",
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"structure_string": "H12 C12 O4\n1.0\n4.454815 0.007912 -0.823621\n-2.092414 5.316831 -0.423419\n-0.242467 -0.121704 10.195111\nH C O\n12 12 4\ndirect\n0.540024 0.593849 0.906958 H\n0.764398 0.240083 0.514576 H\n0.235601 0.759917 0.485424 H\n0.187567 0.356187 0.581481 H\n0.066021 0.077556 0.369369 H\n0.933978 0.922444 0.630631 H\n0.812432 0.643813 0.418519 H\n0.742718 0.605417 0.660285 H\n0.987629 0.620977 0.105796 H\n0.012370 0.379024 0.894204 H\n0.459975 0.406151 0.093041 H\n0.257281 0.394583 0.339715 H\n0.518048 0.016329 0.223014 C\n0.996143 0.365109 0.498271 C\n0.003856 0.634891 0.501729 C\n0.046307 0.262457 0.366389 C\n0.953692 0.737543 0.633611 C\n0.481951 0.983672 0.776986 C\n0.989999 0.785239 0.058263 C\n0.739571 0.771487 0.949497 C\n0.252652 0.013079 0.108471 C\n0.747347 0.986921 0.891529 C\n0.010000 0.214761 0.941737 C\n0.260428 0.228513 0.050503 C\n0.226207 0.762410 0.748007 O\n0.494316 0.163024 0.716549 O\n0.505683 0.836976 0.283450 O\n0.773793 0.237590 0.251992 O\n",
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{
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"created_at": "2022-09-04T14:38:45.354443Z",
"updated_at": "2022-09-04T14:38:45.354467Z",
"structure_string": "Li3 Cr2 Co1 O6\n1.0\n6.299404 -0.003175 1.467718\n5.630668 2.824548 1.467718\n0.023790 0.005626 5.784020\nLi Cr Co O\n3 2 1 6\ndirect\n0.162605 0.162607 0.168480 Li\n0.499998 0.500002 0.500000 Li\n0.837391 0.837397 0.831520 Li\n0.164997 0.165000 0.673178 Cr\n0.834999 0.835004 0.326823 Cr\n0.499999 0.500001 0.000000 Co\n0.659704 0.659709 0.908867 O\n0.995898 0.995903 0.229726 O\n0.329110 0.329113 0.568086 O\n0.004098 0.004100 0.770275 O\n0.340293 0.340295 0.091134 O\n0.670886 0.670890 0.431914 O\n",
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{
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"structure_string": "Ti1 H20 C11 O4\n1.0\n4.777061 -0.167630 0.362164\n0.082657 6.972412 1.591519\n-0.233627 -0.546211 9.121700\nTi H C O\n1 20 11 4\ndirect\n0.028891 0.113594 0.112420 Ti\n0.862077 0.585591 0.517746 H\n0.036597 0.805426 0.322614 H\n0.084515 0.017480 0.401663 H\n0.093448 0.393087 -0.105184 H\n0.032145 0.187618 0.810657 H\n0.774309 0.431655 0.684962 H\n0.378061 0.913458 0.316096 H\n0.385527 0.288704 0.559468 H\n0.725427 0.260508 0.481989 H\n0.379307 0.241135 -0.139426 H\n0.250638 0.494243 0.342211 H\n0.439613 0.923812 0.705278 H\n0.723880 0.907836 0.577580 H\n0.340759 0.701651 0.534411 H\n0.330359 0.578883 0.717568 H\n0.495770 0.600682 0.946227 H\n0.816611 0.641233 0.028910 H\n0.953181 0.675608 0.774832 H\n0.930631 0.907462 0.811167 H\n0.593643 0.593670 0.306425 H\n0.658183 0.706650 0.954683 C\n0.804028 0.782429 0.801205 C\n0.471942 0.652910 0.627963 C\n0.604951 0.828304 0.674765 C\n0.473431 0.460539 0.341551 C\n0.530984 0.866593 0.022641 C\n0.685206 0.509779 0.584709 C\n0.538462 0.336503 0.226418 C\n0.153751 0.940377 0.311379 C\n0.155656 0.245381 -0.108484 C\n0.564859 0.366162 0.496660 C\n0.798643 0.299583 0.202971 O\n0.706005 -0.019707 0.070611 O\n0.272462 -0.108463 0.029709 O\n0.348493 0.274598 0.157005 O\n",
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{
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{
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"structure_string": "Mn2 B4 Mo1\n1.0\n0.000000 0.000000 3.013543\n3.099205 -0.000000 0.000000\n-1.549602 6.424635 -1.506772\nMn B Mo\n2 4 1\ndirect\n0.186341 0.186341 0.372682 Mn\n0.813658 0.813658 0.627317 Mn\n0.352514 0.352514 0.705026 B\n0.647486 0.647485 0.294973 B\n0.927747 0.427747 0.855495 B\n0.072252 0.572252 0.144504 B\n0.500000 -0.000000 -0.000000 Mo\n",
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"formula_anonymous": "AB2C4",
"energy_above_hull": 5.218444388013137,
"spacegroup": 71
}
]
}