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{
"id": "jvasp-118997",
"created_at": "2022-09-04T14:38:49.448142Z",
"updated_at": "2022-09-04T14:38:49.448167Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n6.381279 -0.020856 4.318684\n5.755791 2.755363 4.318684\n-0.080781 -0.018200 11.526611\nLi Mn Co O\n7 4 1 12\ndirect\n0.659366 0.659362 0.763187 Li\n0.024413 0.024413 0.225199 Li\n0.303800 0.303799 0.787120 Li\n0.684274 0.684271 0.224743 Li\n0.990196 0.990191 0.759212 Li\n0.338587 0.338585 0.238922 Li\n0.668242 0.668239 0.006326 Li\n0.004168 0.004168 0.997623 Mn\n-0.002719 -0.002719 0.501303 Mn\n0.329239 0.329237 0.507140 Mn\n0.671651 0.671648 0.493294 Mn\n0.331266 0.331264 -0.001568 Co\n0.491837 0.491835 0.889425 O\n0.825694 0.825690 0.393320 O\n0.148410 0.148410 0.884923 O\n0.485660 0.485658 0.393125 O\n0.833262 0.833258 0.885385 O\n0.176027 0.176026 0.378971 O\n0.826372 0.826367 0.621970 O\n0.180116 0.180116 0.117869 O\n0.515461 0.515459 0.604238 O\n0.844239 0.844234 0.105078 O\n0.173142 0.173142 0.608591 O\n0.497309 0.497306 0.114596 O\n",
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{
"id": "jvasp-111272",
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"structure_string": "In1 Pb1\n1.0\n3.423363 -0.040897 0.705650\n1.659815 2.994345 0.705650\n0.525417 0.305280 5.941522\nIn Pb\n1 1\ndirect\n0.749884 0.749881 0.250020 In\n0.250110 0.250108 0.749979 Pb\n",
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{
"id": "jvasp-117213",
"created_at": "2022-09-04T14:38:49.443311Z",
"updated_at": "2022-09-04T14:38:49.443337Z",
"structure_string": "Ho4 V2 Fe2 O12\n1.0\n5.578820 0.000000 0.000000\n-0.000000 4.197939 2.974144\n-0.000000 0.003435 9.100418\nHo V Fe O\n4 2 2 12\ndirect\n0.575820 0.727371 0.749514 Ho\n0.075821 0.272631 0.750486 Ho\n0.424179 0.272630 0.250486 Ho\n0.924179 0.727370 0.249514 Ho\n0.000000 0.500000 -0.000000 V\n0.500000 0.500001 0.500000 V\n0.000000 0.000001 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.694469 0.242173 0.448326 O\n0.194470 0.757828 0.051674 O\n0.700062 0.633250 0.053334 O\n0.200063 0.366751 0.446665 O\n0.305530 0.757828 0.551674 O\n0.466527 0.143630 0.749471 O\n0.533473 0.856371 0.250529 O\n0.033473 0.143630 0.249471 O\n0.799937 0.633251 0.553334 O\n0.966527 0.856371 0.750529 O\n0.805530 0.242174 0.948326 O\n0.299937 0.366751 0.946665 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Ho4 V2 Fe2 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-113589",
"created_at": "2022-09-04T14:38:49.441925Z",
"updated_at": "2022-09-04T14:38:49.441940Z",
"structure_string": "Ta1 Ag1 S3\n1.0\n4.801705 -0.000000 0.000000\n0.000000 4.801705 0.000000\n-0.000000 -0.000000 4.801705\nTa Ag S\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 S\n0.000000 0.500000 0.000000 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 5,
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"volume": 110.70989146611649,
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},
{
"id": "jvasp-110782",
"created_at": "2022-09-04T14:38:49.441539Z",
"updated_at": "2022-09-04T14:38:49.441558Z",
"structure_string": "Er2 In1 Hg1\n1.0\n4.526310 -0.000000 2.613266\n1.508770 4.267446 2.613266\n-0.000000 -0.000000 5.226532\nEr In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750001 0.750001 Er\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-116528",
"created_at": "2022-09-04T14:38:49.439815Z",
"updated_at": "2022-09-04T14:38:49.439844Z",
"structure_string": "Mg16 Al12 Pt1\n1.0\n8.487440 -0.011258 2.934718\n-4.064071 7.451181 2.934718\n0.026939 0.045311 9.007916\nMg Al Pt\n16 12 1\ndirect\n0.992892 0.992891 0.009174 Mg\n0.582253 0.334827 0.017198 Mg\n0.317418 0.999197 0.398605 Mg\n0.353163 0.004397 0.004183 Mg\n0.677848 0.298057 0.309565 Mg\n0.007117 0.603337 0.676909 Mg\n0.603337 0.007117 0.676909 Mg\n0.298057 0.677848 0.309565 Mg\n0.714353 0.408304 0.596206 Mg\n0.999197 0.317418 0.398605 Mg\n0.408305 0.714353 0.596206 Mg\n0.334828 0.582253 0.017198 Mg\n0.610359 0.610359 0.328514 Mg\n0.011099 0.011098 0.650445 Mg\n0.695067 0.695066 0.702376 Mg\n0.004397 0.353163 0.004183 Mg\n0.371146 0.184169 0.632734 Al\n0.002299 0.813153 0.361451 Al\n0.007996 0.633461 0.179058 Al\n0.201195 0.820652 0.811634 Al\n0.820652 0.201195 0.811634 Al\n0.651544 0.836241 0.978114 Al\n0.813153 0.002299 0.361451 Al\n0.184169 0.371146 0.632734 Al\n0.364070 0.364070 0.826752 Al\n0.183902 0.183901 0.191055 Al\n0.836241 0.651544 0.978114 Al\n0.633461 0.007996 0.179058 Al\n0.317565 0.317564 0.360648 Pt\n",
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"volume": 567.0025368291057,
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"formula_full": "Mg16 Al12 Pt1",
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"formula_anonymous": "AB12C16",
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"spacegroup": 8
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{
"id": "jvasp-113982",
"created_at": "2022-09-04T14:38:49.436975Z",
"updated_at": "2022-09-04T14:38:49.437003Z",
"structure_string": "Na1 B1 C2\n1.0\n3.684636 -0.000000 0.000000\n-0.000000 3.684636 0.000000\n0.000000 -0.000000 4.104574\nNa B C\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Na\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.658308 C\n0.000000 0.000000 0.341691 C\n",
"nsites": 4,
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"volume": 55.72592316041131,
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},
{
"id": "jvasp-118005",
"created_at": "2022-09-04T14:38:49.434110Z",
"updated_at": "2022-09-04T14:38:49.434137Z",
"structure_string": "Cd2 O2\n1.0\n4.015627 -0.458270 -0.618562\n1.181189 -6.085158 -0.153969\n1.763463 -1.848273 -2.979866\nCd O\n2 2\ndirect\n0.158520 0.895071 -0.024156 Cd\n0.840892 0.513973 0.009696 Cd\n0.401761 0.243339 0.858673 O\n0.597618 0.165714 0.126864 O\n",
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{
"id": "jvasp-117041",
"created_at": "2022-09-04T14:38:49.430805Z",
"updated_at": "2022-09-04T14:38:49.430836Z",
"structure_string": "Li1 Cu6 O1 F11\n1.0\n5.667936 0.043637 0.281013\n-0.442435 4.680425 -0.473125\n-0.057292 0.097987 8.166608\nLi Cu O F\n1 6 1 11\ndirect\n0.939254 0.193418 0.286889 Li\n0.013921 0.987262 0.975196 Cu\n0.509898 0.489680 0.003462 Cu\n0.350910 0.978795 0.314486 Cu\n0.712778 0.638046 0.367206 Cu\n0.181705 0.496324 0.656037 Cu\n0.675649 0.001766 0.679521 Cu\n0.512585 0.691727 0.208046 O\n0.205880 0.705373 0.874919 F\n0.485299 0.286579 0.783314 F\n0.869216 0.707274 0.573131 F\n0.406787 0.783291 0.565559 F\n0.018113 0.809332 0.259064 F\n0.178801 0.280540 0.437154 F\n0.829529 0.265202 0.087961 F\n0.971280 0.207267 0.749898 F\n0.290575 0.190997 0.085877 F\n0.652219 0.208702 0.406314 F\n0.720619 0.772868 0.904718 F\n",
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{
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"created_at": "2022-09-04T14:38:49.430492Z",
"updated_at": "2022-09-04T14:38:49.430516Z",
"structure_string": "Mg1 B1 H1\n1.0\n3.797063 -0.610490 0.000000\n-0.785816 3.765163 0.000000\n0.000000 0.000000 2.761501\nMg B H\n1 1 1\ndirect\n-0.247625 0.392356 0.000000 Mg\n0.108834 0.035912 0.000000 B\n0.300804 -0.156241 0.000000 H\n",
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{
"id": "jvasp-117218",
"created_at": "2022-09-04T14:38:49.427263Z",
"updated_at": "2022-09-04T14:38:49.427278Z",
"structure_string": "Cu12 As4 S13\n1.0\n8.295095 -0.016881 -2.924073\n-4.092740 7.213131 -2.925967\n0.001375 0.006012 8.870421\nCu As S\n12 4 13\ndirect\n0.749363 0.494974 0.249707 Cu\n0.752422 0.252420 0.500069 Cu\n0.499729 0.245274 0.750349 Cu\n0.252436 0.752424 0.500039 Cu\n0.245356 0.499734 0.750427 Cu\n0.494944 0.749306 0.249634 Cu\n0.240527 0.044129 0.240473 Cu\n0.765376 0.765421 -0.000008 Cu\n0.043555 0.240270 0.240309 Cu\n0.803559 -0.000036 0.759761 Cu\n0.210746 0.210606 -0.000886 Cu\n0.000110 0.803769 0.759759 Cu\n0.529430 -0.000016 0.000003 As\n0.470155 0.470076 0.469927 As\n0.000232 0.000195 0.530101 As\n-0.000011 0.529399 -0.000031 As\n0.763309 0.523116 0.521272 S\n0.480496 0.003665 0.242087 S\n0.513622 0.513612 0.757022 S\n0.003638 0.480522 0.242081 S\n0.523026 0.763199 0.521166 S\n0.477459 0.240418 -0.000012 S\n0.001870 0.242091 0.478926 S\n0.761565 0.238357 0.757937 S\n0.756596 0.756610 0.242962 S\n0.238398 0.761581 0.757946 S\n0.242053 0.001869 0.478808 S\n0.240384 0.477345 -0.000018 S\n0.986038 0.986063 0.000184 S\n",
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{
"id": "jvasp-113784",
"created_at": "2022-09-04T14:38:49.424613Z",
"updated_at": "2022-09-04T14:38:49.424640Z",
"structure_string": "Cr1 H5 O4\n1.0\n3.052957 0.000000 0.000000\n0.000000 4.259163 0.789393\n0.000000 -0.052123 5.633101\nCr H O\n1 5 4\ndirect\n0.500000 0.953235 0.543574 Cr\n0.256602 0.376340 0.795049 H\n0.743399 0.376340 0.795049 H\n0.500000 0.938999 0.076968 H\n0.000000 0.428502 0.466284 H\n0.500000 0.567623 0.205330 H\n0.000000 0.685117 0.678976 O\n0.000000 0.229791 0.398485 O\n0.500000 0.210077 0.826013 O\n0.500000 0.785175 0.231335 O\n",
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"formula_full": "Cr1 H5 O4",
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}
]
}