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{
"id": "jvasp-48227",
"created_at": "2022-09-04T14:38:10.884622Z",
"updated_at": "2022-09-04T14:38:10.884649Z",
"structure_string": "Li1 Co2 C4 O12\n1.0\n5.035875 0.084489 -0.035286\n-2.366497 5.518475 0.074813\n-0.084698 -0.108320 7.527643\nLi Co C O\n1 2 4 12\ndirect\n0.796170 0.197875 0.444925 Li\n0.997484 0.997459 0.000313 Co\n0.497116 0.508026 0.497839 Co\n0.759941 0.876215 0.733343 C\n0.263706 0.366857 0.763967 C\n0.728820 0.627327 0.230452 C\n0.251004 0.122833 0.268058 C\n0.529636 0.403633 0.736696 O\n-0.009213 0.114988 0.246183 O\n0.143806 0.312161 0.915176 O\n0.134149 0.407413 0.622426 O\n0.846009 0.568246 0.370190 O\n0.471017 0.613963 0.258579 O\n0.017248 0.884379 0.764933 O\n0.395017 0.185287 0.416220 O\n0.634210 0.831462 0.578275 O\n0.647535 0.936439 0.867932 O\n0.857532 0.681678 0.082236 O\n0.352512 0.057494 0.132088 O\n",
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{
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"structure_string": "Ti4 Zn4 Ge8 O24\n1.0\n5.114001 0.000000 -1.539493\n0.000000 8.524215 0.000000\n-0.101285 0.000000 12.001818\nTi Zn Ge O\n4 4 8 24\ndirect\n0.935035 0.656466 0.284087 Ti\n0.564964 0.156466 0.715913 Ti\n0.064964 0.343534 0.715913 Ti\n0.435035 0.843534 0.284087 Ti\n0.403827 0.451522 0.236818 Zn\n0.096172 0.951523 0.763183 Zn\n0.596172 0.548478 0.763183 Zn\n0.903827 0.048478 0.236818 Zn\n0.713425 0.154097 0.462476 Ge\n0.786574 0.654097 0.537524 Ge\n0.213425 0.345903 0.462476 Ge\n0.286574 0.845903 0.537524 Ge\n0.232788 0.635104 0.932224 Ge\n0.732788 0.864897 0.932224 Ge\n0.767211 0.364896 0.067777 Ge\n0.267211 0.135104 0.067776 Ge\n0.232212 0.004719 0.198581 O\n0.159332 0.839097 0.384473 O\n0.340667 0.339097 0.615527 O\n0.294590 0.162765 0.785979 O\n0.205409 0.662765 0.214021 O\n0.705409 0.837236 0.214021 O\n0.794590 0.337235 0.785979 O\n0.732212 0.495281 0.198581 O\n0.767787 0.995282 0.801419 O\n0.267787 0.504719 0.801419 O\n0.133943 0.537352 0.416897 O\n0.963199 0.202939 0.393407 O\n0.866056 0.462649 0.583103 O\n0.633943 0.962649 0.416897 O\n0.634335 0.186610 0.138402 O\n0.865664 0.686610 0.861599 O\n0.365664 0.813391 0.861599 O\n0.134335 0.313390 0.138402 O\n0.659331 0.660903 0.384473 O\n0.536800 0.702939 0.606593 O\n0.036800 0.797062 0.606593 O\n0.463199 0.297061 0.393407 O\n0.366056 0.037351 0.583103 O\n0.840667 0.160903 0.615527 O\n",
"nsites": 40,
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],
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"density_atomic": 0.07664828981875042,
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"formula_full": "Ti4 Zn4 Ge8 O24",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 14
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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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{
"id": "jvasp-44721",
"created_at": "2022-09-04T14:38:09.969981Z",
"updated_at": "2022-09-04T14:38:09.969991Z",
"structure_string": "Li2 Mn2 Ni2 O8\n1.0\n5.766875 0.000000 0.000000\n2.883437 4.952762 0.039649\n2.883437 1.688303 4.656292\nLi Mn Ni O\n2 2 2 8\ndirect\n0.122077 0.127923 0.127923 Li\n0.877923 0.872076 0.872077 Li\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000001 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.265205 0.263033 0.263033 O\n0.266392 0.256306 0.710910 O\n0.266392 0.710910 0.256306 O\n0.708729 0.263033 0.263033 O\n0.291272 0.736966 0.736967 O\n0.733608 0.743693 0.289090 O\n0.733609 0.289089 0.743693 O\n0.734796 0.736966 0.736967 O\n",
"nsites": 14,
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"volume": 132.6067909895072,
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{
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"created_at": "2022-09-04T14:38:29.739415Z",
"updated_at": "2022-09-04T14:38:29.739439Z",
"structure_string": "In7 Ge1 Ir1 O8\n1.0\n6.291110 -0.000000 3.632174\n2.097037 5.931315 3.632174\n0.000000 0.000000 7.264348\nIn Ge Ir O\n7 1 1 8\ndirect\n0.749856 0.749857 0.250143 In\n0.250144 0.250144 0.749856 In\n0.250144 0.749857 0.250143 In\n0.749856 0.250144 0.250143 In\n0.749856 0.250144 0.749856 In\n0.250144 0.749857 0.749856 In\n0.750000 0.750001 0.749999 In\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ir\n0.945632 0.351456 0.351455 O\n0.629820 0.629820 0.629819 O\n0.351456 0.351456 0.945632 O\n0.110541 0.629820 0.629819 O\n0.351456 0.351456 0.351455 O\n0.629820 0.629820 0.110540 O\n0.351456 0.945633 0.351455 O\n0.629820 0.110541 0.629820 O\n",
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"density_atomic": 0.06271537340431631,
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"formula_full": "In7 Ge1 Ir1 O8",
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},
{
"id": "jvasp-44525",
"created_at": "2022-09-04T14:38:09.964189Z",
"updated_at": "2022-09-04T14:38:09.964204Z",
"structure_string": "Li4 Fe3 Te1 O12\n1.0\n0.000000 4.788770 -0.012102\n8.097378 0.000000 0.000000\n0.000000 -0.075143 -4.917047\nLi Fe Te O\n4 3 1 12\ndirect\n0.000000 0.698616 0.000000 Li\n0.500000 0.802056 -0.000000 Li\n0.000000 0.333537 0.500000 Li\n0.500000 0.204215 0.500000 Li\n0.500000 0.424671 -0.000000 Fe\n0.000000 0.897085 0.500000 Fe\n0.500000 0.606791 0.500000 Fe\n0.000000 0.101778 0.000000 Te\n0.794054 0.918051 0.175583 O\n0.304945 0.433983 0.313486 O\n0.207480 0.079392 0.336285 O\n0.246664 0.755231 0.357349 O\n0.753336 0.755231 0.642651 O\n0.301205 0.587089 0.817630 O\n0.695055 0.433983 0.686514 O\n0.205947 0.918051 0.824417 O\n0.698796 0.587089 0.182370 O\n0.252030 0.262420 0.839046 O\n0.792520 0.079392 0.663715 O\n0.747971 0.262420 0.160954 O\n",
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],
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"formula_full": "Li4 Fe3 Te1 O12",
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"formula_anonymous": "AB3C4D12",
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"spacegroup": 3
},
{
"id": "jvasp-46237",
"created_at": "2022-09-04T14:38:09.961327Z",
"updated_at": "2022-09-04T14:38:09.961346Z",
"structure_string": "Li4 Cr1 Fe3 O8\n1.0\n4.268867 2.464631 -0.000113\n2.844053 -1.640080 4.734111\n2.842545 -4.923431 -0.000191\nLi Cr Fe O\n4 1 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.507099 -0.001059 0.250531 Li\n0.492902 0.001059 0.749469 Li\n-0.000000 0.499999 0.000001 Cr\n0.000000 0.500000 0.500000 Fe\n0.500003 0.500000 0.255339 Fe\n0.499998 0.500000 0.744660 Fe\n0.244248 0.273494 0.367206 O\n0.244244 0.273493 0.859277 O\n0.735168 0.276381 0.111797 O\n0.254787 0.727472 0.386274 O\n0.264834 0.723620 0.888203 O\n0.755757 0.726508 0.140723 O\n0.745213 0.272530 0.613725 O\n0.755753 0.726507 0.632794 O\n",
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],
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"volume": 132.66912846398012,
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"formula_full": "Li4 Cr1 Fe3 O8",
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{
"id": "jvasp-47032",
"created_at": "2022-09-04T14:38:05.206028Z",
"updated_at": "2022-09-04T14:38:05.206053Z",
"structure_string": "Li4 Ni2 O2 F4\n1.0\n2.878578 0.000000 0.000000\n0.000000 2.878578 -0.000000\n-0.000000 0.000000 12.539577\nLi Ni O F\n4 2 2 4\ndirect\n0.000000 0.000000 0.341871 Li\n0.500000 0.500000 0.504592 Li\n0.000000 0.000000 0.662076 Li\n0.500000 0.500000 0.824798 Li\n0.000000 0.000000 -0.000120 Ni\n0.500000 0.500000 0.166785 Ni\n0.500000 0.500000 0.997369 O\n0.000000 0.000000 0.169295 O\n0.500000 0.500000 0.346179 F\n0.000000 0.000000 0.503566 F\n0.500000 0.500000 0.663100 F\n0.000000 0.000000 0.820487 F\n",
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],
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"formula_full": "Li4 Ni2 O2 F4",
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"spacegroup": 129
},
{
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"created_at": "2022-09-04T14:38:05.481203Z",
"updated_at": "2022-09-04T14:38:05.481230Z",
"structure_string": "Na2 Ga2 Ge4 O12\n1.0\n0.062123 0.000000 5.487899\n-4.789826 4.429335 1.447863\n-4.789826 -4.429335 1.447863\nNa Ga Ge O\n2 2 4 12\ndirect\n0.749999 0.691827 0.308174 Na\n0.249999 0.308174 0.691827 Na\n0.749999 0.093974 0.906028 Ga\n0.249999 0.906027 0.093974 Ga\n0.725803 0.614722 0.808779 Ge\n0.774195 0.191223 0.385280 Ge\n0.274195 0.385279 0.191223 Ge\n0.225803 0.808778 0.614722 Ge\n0.010069 0.337617 0.388185 O\n0.489929 0.611816 0.662384 O\n0.125634 0.979249 0.814406 O\n0.374365 0.185595 0.020752 O\n0.874365 0.020753 0.185595 O\n0.676659 0.085225 0.634067 O\n0.323339 0.914776 0.365934 O\n0.176659 0.634067 0.085225 O\n0.510069 0.388185 0.337618 O\n0.823339 0.365934 0.914776 O\n0.625634 0.814406 0.979249 O\n-0.010071 0.662384 0.611816 O\n",
"nsites": 20,
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},
{
"id": "jvasp-12584",
"created_at": "2022-09-04T14:38:09.940998Z",
"updated_at": "2022-09-04T14:38:09.941029Z",
"structure_string": "Rb4 H2 Br2 O2\n1.0\n0.000000 6.871740 0.099452\n4.457018 0.000000 0.000000\n0.000000 -2.681023 -8.477584\nRb H Br O\n4 2 2 2\ndirect\n0.717292 0.750000 0.963108 Rb\n0.292928 0.250000 0.615087 Rb\n0.707072 0.750000 0.384913 Rb\n0.282709 0.250000 0.036892 Rb\n0.843788 0.250000 0.212036 H\n0.156212 0.750000 0.787963 H\n0.822435 0.250000 0.698348 Br\n0.177565 0.750000 0.301652 Br\n0.693835 0.250000 0.171950 O\n0.306165 0.750000 0.828049 O\n",
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],
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"volume": 258.4585515405967,
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"spacegroup": 11
},
{
"id": "jvasp-24301",
"created_at": "2022-09-04T14:38:28.922773Z",
"updated_at": "2022-09-04T14:38:28.922804Z",
"structure_string": "Sr2 Bi4 B8 O20\n1.0\n6.833038 -0.070467 -0.020554\n-1.482924 6.632921 -0.052633\n-3.213245 -1.697588 9.218609\nSr Bi B O\n2 4 8 20\ndirect\n0.035620 0.842190 0.167529 Sr\n0.964381 0.157810 0.832472 Sr\n0.727121 0.632552 0.666709 Bi\n0.272879 0.367447 0.333292 Bi\n0.701278 0.028985 0.403532 Bi\n0.298722 0.971015 0.596469 Bi\n0.590916 0.264007 0.903575 B\n0.799735 0.287800 0.171277 B\n0.409085 0.735992 0.096426 B\n0.200265 0.712199 0.828724 B\n0.844958 0.595787 0.368950 B\n0.602591 0.791680 0.930299 B\n0.397409 0.208320 0.069702 B\n0.155043 0.404213 0.631051 B\n0.885845 0.506609 0.249741 O\n0.924290 0.808578 0.402571 O\n0.062198 0.829979 0.753160 O\n0.261877 0.516243 0.556200 O\n0.114155 0.493390 0.750259 O\n0.788801 0.818893 0.906443 O\n0.582785 0.246969 0.763782 O\n0.937802 0.170020 0.246841 O\n0.738123 0.483757 0.443801 O\n0.598307 0.752153 0.065747 O\n0.783613 0.288090 0.016291 O\n0.211200 0.181107 0.093558 O\n0.358056 0.100818 0.408899 O\n0.582815 0.198213 0.173264 O\n0.417186 0.801786 0.826737 O\n0.417216 0.753031 0.236219 O\n0.641944 0.899181 0.591101 O\n0.075711 0.191421 0.597430 O\n0.216387 0.711909 0.983710 O\n0.401693 0.247847 0.934254 O\n",
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],
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"density_atomic": 0.08178199099042041,
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"formula_full": "Sr2 Bi4 B8 O20",
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},
{
"id": "jvasp-9758",
"created_at": "2022-09-04T14:38:09.921045Z",
"updated_at": "2022-09-04T14:38:09.921068Z",
"structure_string": "Sr2 Ga1 Sb1 O6\n1.0\n4.867641 -0.000000 2.810333\n1.622547 4.589256 2.810333\n0.000000 0.000000 5.620668\nSr Ga Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.749999 Sr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Sb\n0.249745 0.750256 0.750254 O\n0.249745 0.750256 0.249744 O\n0.750255 0.249745 0.750254 O\n0.249745 0.249745 0.750255 O\n0.750255 0.249745 0.249744 O\n0.750255 0.750256 0.249744 O\n",
"nsites": 10,
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],
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"volume": 125.55926309008379,
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"formula_full": "Sr2 Ga1 Sb1 O6",
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}
]
}