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{
"id": "jvasp-12480",
"created_at": "2022-09-04T14:38:11.053355Z",
"updated_at": "2022-09-04T14:38:11.053378Z",
"structure_string": "Rb2 Pb4 Br10\n1.0\n7.565556 0.000000 -3.796652\n-1.905289 7.321716 -3.796652\n-0.041312 -0.053439 9.353913\nRb Pb Br\n2 4 10\ndirect\n0.250000 0.250000 0.500000 Rb\n0.750001 0.750000 0.500001 Rb\n0.336743 0.163257 0.000000 Pb\n0.163257 0.663257 0.000000 Pb\n0.663257 0.836744 0.000001 Pb\n0.836744 0.336743 0.000001 Pb\n0.208721 0.708721 0.724519 Br\n0.484203 0.984204 0.275482 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.791279 0.291279 0.275481 Br\n0.984204 0.791279 0.275482 Br\n0.291279 0.484203 0.275481 Br\n0.015797 0.208721 0.724519 Br\n0.515797 0.015797 0.724519 Br\n0.708722 0.515797 0.724520 Br\n",
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{
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"structure_string": "Cr4 O1 F11\n1.0\n-4.910038 0.000000 0.000000\n-2.455019 -4.626727 -0.066111\n0.000000 -2.570379 8.015277\nCr O F\n4 1 11\ndirect\n0.744930 0.517850 0.258999 Cr\n0.512779 0.982151 0.491002 Cr\n0.250961 0.496118 0.748731 Cr\n0.997078 0.003882 0.001269 Cr\n0.759992 0.750001 0.375000 O\n0.805226 0.747273 0.691964 F\n0.802499 0.752728 0.058037 F\n0.738347 0.257828 0.126668 F\n0.695622 0.249477 0.805215 F\n0.691887 0.249419 0.443654 F\n0.303165 0.749079 0.553091 F\n0.302244 0.750922 0.196909 F\n0.262698 0.750001 0.875000 F\n0.246175 0.242172 0.623332 F\n0.191304 0.250581 0.306346 F\n0.195097 0.250523 0.944786 F\n",
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{
"id": "jvasp-45935",
"created_at": "2022-09-04T14:38:07.529955Z",
"updated_at": "2022-09-04T14:38:07.529982Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.021404 0.010070 -0.010134\n-0.868687 5.020694 0.004845\n-0.017595 -1.741129 5.671848\nLi V Cr O\n4 2 2 8\ndirect\n-0.000010 0.000009 -0.000001 Li\n0.497489 0.005206 0.757314 Li\n0.000019 -0.000015 0.499999 Li\n0.502517 0.994808 0.242701 Li\n0.747235 0.499543 0.617068 V\n0.252752 0.500441 0.382926 V\n0.248825 0.499667 0.878995 Cr\n0.751173 0.500327 0.121004 Cr\n0.876269 0.274141 0.819104 O\n0.621185 0.725653 0.930853 O\n0.372574 0.266667 0.575052 O\n0.124404 0.731436 0.689474 O\n0.875586 0.268567 0.310522 O\n0.627413 0.733332 0.424949 O\n0.378817 0.274352 0.069150 O\n0.123733 0.725863 0.180890 O\n",
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"formula_full": "Li4 V2 Cr2 O8",
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{
"id": "jvasp-47021",
"created_at": "2022-09-04T14:38:07.854899Z",
"updated_at": "2022-09-04T14:38:07.854929Z",
"structure_string": "Li2 V2 Si1 Ge1 O10\n1.0\n6.396969 0.041316 0.000000\n0.041316 6.396969 0.000000\n0.000000 0.000000 4.543102\nLi V Si Ge O\n2 2 1 1 10\ndirect\n0.011056 0.511056 0.000000 Li\n0.488945 0.988944 0.000000 Li\n0.250000 0.250000 0.612969 V\n0.750001 0.750001 0.387031 V\n0.250001 0.750000 0.500000 Si\n0.750000 0.250001 0.500000 Ge\n0.040262 0.745191 0.289734 O\n0.245191 0.540262 0.710266 O\n0.250000 0.250000 0.254796 O\n0.254810 0.959738 0.710266 O\n0.459739 0.754809 0.289734 O\n0.529637 0.241872 0.735856 O\n0.741871 0.029638 0.264143 O\n0.758129 0.470363 0.264143 O\n0.750001 0.750001 0.745203 O\n0.970363 0.258129 0.735856 O\n",
"nsites": 16,
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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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"spacegroup": 2
},
{
"id": "jvasp-46477",
"created_at": "2022-09-04T14:38:07.857268Z",
"updated_at": "2022-09-04T14:38:07.857300Z",
"structure_string": "Li4 V2 B2 O8\n1.0\n4.630864 0.000000 0.000000\n0.000000 5.355729 0.000000\n0.000000 0.000000 5.837016\nLi V B O\n4 2 2 8\ndirect\n0.010508 0.659355 0.255130 Li\n0.510508 0.340646 0.244871 Li\n0.010508 0.659355 0.744871 Li\n0.510508 0.340646 0.755130 Li\n0.020966 0.141584 0.000000 V\n0.520966 0.858416 0.500000 V\n0.495923 0.823223 0.000000 B\n0.995923 0.176777 0.500000 B\n0.174510 0.819981 0.000000 O\n0.593141 0.093412 0.000000 O\n0.097222 0.308488 0.288764 O\n0.597221 0.691512 0.211236 O\n0.093141 0.906589 0.500000 O\n0.674509 0.180019 0.500000 O\n0.597221 0.691512 0.788764 O\n0.097222 0.308488 0.711237 O\n",
"nsites": 16,
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"volume": 144.76764316854138,
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"formula_full": "Li4 V2 B2 O8",
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},
{
"id": "jvasp-46919",
"created_at": "2022-09-04T14:38:07.478652Z",
"updated_at": "2022-09-04T14:38:07.478670Z",
"structure_string": "Li7 Co1 O1 F7\n1.0\n2.866925 0.000000 0.000000\n0.000000 5.805572 0.000000\n0.000000 0.000000 8.207959\nLi Co O F\n7 1 1 7\ndirect\n0.000000 0.491714 0.740080 Li\n0.000000 0.012594 0.752224 Li\n0.499999 0.233728 0.000000 Li\n0.000000 0.012594 0.247776 Li\n0.000000 0.491714 0.259920 Li\n0.499999 0.246940 0.500000 Li\n0.499999 0.752605 0.500000 Li\n0.499999 0.776249 0.000000 Co\n0.000000 0.001391 0.000000 O\n0.499999 0.742070 0.740412 F\n0.499999 0.253534 0.742502 F\n0.000000 0.491085 0.000000 F\n0.499999 0.742070 0.259588 F\n0.499999 0.253534 0.257498 F\n0.000000 0.999878 0.500000 F\n0.000000 0.498298 0.500000 F\n",
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{
"id": "jvasp-117349",
"created_at": "2022-09-04T14:38:26.340519Z",
"updated_at": "2022-09-04T14:38:26.340535Z",
"structure_string": "Na1 Er1 Pd6 O8\n1.0\n5.787376 -0.000000 0.000000\n0.000000 5.787376 0.000000\n-0.000000 0.000000 5.787376\nNa Er Pd O\n1 1 6 8\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Er\n0.250511 0.000000 0.500000 Pd\n0.749490 0.000000 0.500000 Pd\n0.500000 0.250511 -0.000000 Pd\n0.500000 0.749490 -0.000000 Pd\n-0.000000 0.500000 0.250511 Pd\n-0.000000 0.500000 0.749490 Pd\n0.239190 0.239190 0.239190 O\n0.760810 0.760810 0.760810 O\n0.760810 0.760810 0.239190 O\n0.760810 0.239190 0.760810 O\n0.239190 0.239190 0.760810 O\n0.239190 0.760810 0.239190 O\n0.239190 0.760810 0.760810 O\n0.760810 0.239190 0.239190 O\n",
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{
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"created_at": "2022-09-04T14:38:06.006231Z",
"updated_at": "2022-09-04T14:38:06.006261Z",
"structure_string": "Si2 C2 Cl6 F6\n1.0\n6.082369 0.000704 0.225776\n0.210028 7.214111 1.662867\n-0.002320 0.090601 7.405702\nSi C Cl F\n2 2 6 6\ndirect\n0.677121 0.810614 0.810615 Si\n0.322880 0.189385 0.189386 Si\n0.249817 0.353217 0.353217 C\n0.750183 0.646782 0.646784 C\n0.344213 0.832378 0.832379 Cl\n0.191266 0.307303 0.940023 Cl\n0.808735 0.692696 0.059977 Cl\n0.808735 0.059976 0.692697 Cl\n0.655787 0.167621 0.167622 Cl\n0.191266 0.940023 0.307304 Cl\n0.669023 0.473622 0.713946 F\n0.669023 0.713945 0.473623 F\n0.026346 0.374774 0.374774 F\n0.330978 0.286054 0.526378 F\n0.973655 0.625226 0.625227 F\n0.330978 0.526377 0.286055 F\n",
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{
"id": "jvasp-112295",
"created_at": "2022-09-04T14:38:26.342520Z",
"updated_at": "2022-09-04T14:38:26.342545Z",
"structure_string": "Li4 H8 N4\n1.0\n3.967154 -0.000000 0.000000\n0.000000 4.629164 0.000000\n0.000000 -0.000000 5.430160\nLi H N\n4 8 4\ndirect\n0.250000 0.628553 0.120479 Li\n0.250000 0.128553 0.379521 Li\n0.749999 0.371446 0.879521 Li\n0.749999 0.871446 0.620479 Li\n0.250000 0.242996 0.822234 H\n0.250000 0.742995 0.677766 H\n0.749999 0.757004 0.177766 H\n0.749999 0.257004 0.322234 H\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.500000 0.000000 -0.000000 H\n-0.000000 0.500000 0.500000 H\n0.250000 0.197715 0.008376 N\n0.250000 0.697715 0.491624 N\n0.749999 0.802284 -0.008376 N\n0.749999 0.302284 0.508376 N\n",
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],
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"volume": 99.72275151939677,
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},
{
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"created_at": "2022-09-04T14:38:10.892941Z",
"updated_at": "2022-09-04T14:38:10.892976Z",
"structure_string": "Mg2 Fe4 O10\n1.0\n1.860909 4.669624 -0.000000\n-1.860909 4.669624 -0.000000\n0.000000 0.000000 9.568815\nMg Fe O\n2 4 10\ndirect\n0.205325 0.205325 0.250000 Mg\n0.794674 0.794674 0.750000 Mg\n0.138517 0.138517 0.558166 Fe\n0.138517 0.138517 0.941833 Fe\n0.861482 0.861482 0.058167 Fe\n0.861482 0.861482 0.441833 Fe\n0.045791 0.045791 0.111392 O\n0.045791 0.045791 0.388608 O\n0.317524 0.317524 0.050756 O\n0.317524 0.317524 0.449244 O\n0.785880 0.785880 0.250000 O\n0.214119 0.214119 0.750000 O\n0.682476 0.682476 0.550756 O\n0.954208 0.954208 0.611391 O\n0.682476 0.682476 0.949244 O\n0.954208 0.954208 0.888608 O\n",
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],
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"density_atomic": 0.09621101140318766,
"volume": 166.30113088562635,
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"formula_full": "Mg2 Fe4 O10",
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"formula_anonymous": "AB2C5",
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"spacegroup": 63
},
{
"id": "jvasp-112344",
"created_at": "2022-09-04T14:38:26.385718Z",
"updated_at": "2022-09-04T14:38:26.385744Z",
"structure_string": "Tb10 Si3 Sb3\n1.0\n8.742918 0.000000 0.000000\n-4.371460 7.571589 0.000000\n-0.000000 -0.000000 6.348959\nTb Si Sb\n10 3 3\ndirect\n0.757770 -0.000000 -0.000000 Tb\n0.000000 0.757770 -0.000000 Tb\n0.242230 0.242230 -0.000000 Tb\n0.244000 -0.000000 0.500000 Tb\n0.000000 0.244000 0.500000 Tb\n0.756001 0.756001 0.500000 Tb\n0.333333 0.666667 0.260102 Tb\n0.666667 0.333333 0.260102 Tb\n0.666667 0.333333 0.739898 Tb\n0.333333 0.666667 0.739898 Tb\n0.611934 -0.000000 0.500000 Si\n0.000000 0.611934 0.500000 Si\n0.388066 0.388066 0.500000 Si\n0.394323 -0.000000 -0.000000 Sb\n0.000000 0.394323 -0.000000 Sb\n0.605677 0.605677 -0.000000 Sb\n",
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],
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"volume": 420.28700226424894,
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}
]
}