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{
"id": "jvasp-94096",
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{
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"structure_string": "La1 Al1 H6\n1.0\n3.269291 1.887527 2.108359\n-3.269291 1.887527 2.108359\n0.000000 -3.775052 2.108359\nLa Al H\n1 1 6\ndirect\n0.500001 0.500001 0.499999 La\n0.000000 0.000000 0.000000 Al\n0.937766 0.292440 0.292438 H\n0.292440 0.292440 0.937765 H\n0.292440 0.937766 0.292438 H\n0.062235 0.707561 0.707560 H\n0.707562 0.707562 0.062234 H\n0.707561 0.062235 0.707560 H\n",
"nsites": 8,
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"density_atomic": 0.10248199620214003,
"volume": 78.06249191536477,
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"formula_full": "La1 Al1 H6",
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},
{
"id": "jvasp-91832",
"created_at": "2022-09-04T14:35:42.331270Z",
"updated_at": "2022-09-04T14:35:42.331295Z",
"structure_string": "La1 Mg6 B1\n1.0\n7.370840 0.943031 0.000000\n-2.868731 4.968786 0.000000\n0.000000 0.000000 4.630736\nLa Mg B\n1 6 1\ndirect\n0.104264 0.302132 0.250000 La\n0.606771 0.305667 0.250000 Mg\n0.606771 0.801103 0.250000 Mg\n0.338371 0.157108 0.750001 Mg\n0.338372 0.681265 0.750001 Mg\n0.778586 0.139293 0.750001 Mg\n0.926330 0.713166 0.750001 Mg\n0.300536 0.900268 0.250000 B\n",
"nsites": 8,
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"elements": [
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"density": 2.6946800797106003,
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"formula_full": "La1 Mg6 B1",
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{
"id": "jvasp-94825",
"created_at": "2022-09-04T14:35:42.294901Z",
"updated_at": "2022-09-04T14:35:42.294918Z",
"structure_string": "Ca1 Rh1 F6\n1.0\n4.662173 0.038934 3.383584\n1.746345 4.322922 3.383583\n0.057202 0.038935 5.760315\nCa Rh F\n1 1 6\ndirect\n0.500000 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Rh\n0.384118 0.066403 0.779716 F\n0.066405 0.779716 0.384117 F\n0.220284 0.615880 0.933595 F\n0.933596 0.220282 0.615881 F\n0.615883 0.933595 0.220282 F\n0.779717 0.384117 0.066403 F\n",
"nsites": 8,
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],
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"density": 3.727107288668332,
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{
"id": "jvasp-94115",
"created_at": "2022-09-04T14:35:41.419290Z",
"updated_at": "2022-09-04T14:35:41.419319Z",
"structure_string": "Na1 Mg6 Ni1\n1.0\n6.510806 -0.191421 0.000000\n-3.421179 5.542812 0.000000\n0.000000 0.000000 4.895492\nNa Mg Ni\n1 6 1\ndirect\n0.318985 0.181015 0.750000 Na\n0.177001 0.809142 0.250000 Mg\n0.690858 0.322999 0.250000 Mg\n0.676602 0.823398 0.250000 Mg\n0.325723 0.648742 0.750000 Mg\n0.851259 0.174277 0.750000 Mg\n0.835763 0.664237 0.750000 Mg\n0.123808 0.376192 0.250000 Ni\n",
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{
"id": "jvasp-93110",
"created_at": "2022-09-04T14:35:42.379297Z",
"updated_at": "2022-09-04T14:35:42.379318Z",
"structure_string": "Ce1 Mg6 Nb1\n1.0\n6.637730 0.451300 0.000000\n-2.928028 5.071493 0.000000\n0.000000 0.000000 5.185598\nCe Mg Nb\n1 6 1\ndirect\n0.143217 0.321607 0.250000 Ce\n0.648991 0.325766 0.250000 Mg\n0.648991 0.823224 0.250000 Mg\n0.341177 0.163901 0.750000 Mg\n0.341177 0.677276 0.750000 Mg\n0.824386 0.162193 0.750000 Mg\n0.887970 0.693985 0.750000 Mg\n0.164091 0.832045 0.250000 Nb\n",
"nsites": 8,
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],
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"density": 3.4677126828107174,
"density_atomic": 0.04409750076975123,
"volume": 181.4161768888185,
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"formula_full": "Ce1 Mg6 Nb1",
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{
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"created_at": "2022-09-04T14:35:47.315839Z",
"updated_at": "2022-09-04T14:35:47.315865Z",
"structure_string": "Li1 Mg6 Sb1\n1.0\n6.372989 0.023311 0.000000\n-3.166308 5.530825 0.000000\n0.000000 0.000000 5.073898\nLi Mg Sb\n1 6 1\ndirect\n0.166690 0.333310 0.250000 Li\n0.163104 0.821549 0.250000 Mg\n0.678451 0.336896 0.250000 Mg\n0.664122 0.835879 0.250000 Mg\n0.332910 0.663809 0.750000 Mg\n0.836192 0.167090 0.750000 Mg\n0.831604 0.668396 0.750000 Mg\n0.326924 0.173076 0.750000 Sb\n",
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"elements": [
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"density": 2.5436491035442677,
"density_atomic": 0.04463820246423185,
"volume": 179.2186862006892,
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"formula_full": "Li1 Mg6 Sb1",
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{
"id": "jvasp-94170",
"created_at": "2022-09-04T14:35:42.210861Z",
"updated_at": "2022-09-04T14:35:42.210887Z",
"structure_string": "Mg6 V1 Co1\n1.0\n6.225671 -0.186463 0.000000\n-3.274317 5.298357 0.000000\n0.000000 0.000000 4.587229\nMg V Co\n6 1 1\ndirect\n0.178687 0.848842 0.250000 Mg\n0.651159 0.321313 0.250000 Mg\n0.672337 0.827664 0.250000 Mg\n0.319850 0.659127 0.750000 Mg\n0.840873 0.180151 0.750000 Mg\n0.831382 0.668618 0.750000 Mg\n0.303017 0.196984 0.750000 V\n0.202696 0.297305 0.250000 Co\n",
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},
{
"id": "jvasp-91856",
"created_at": "2022-09-04T14:35:42.202099Z",
"updated_at": "2022-09-04T14:35:42.202118Z",
"structure_string": "Mg1 Cr1 F6\n1.0\n4.442182 0.049454 2.892661\n1.593460 4.146844 2.892661\n0.071132 0.049454 5.300510\nMg Cr F\n1 1 6\ndirect\n0.500000 0.499999 0.500000 Mg\n0.000000 0.000000 0.000000 Cr\n0.360675 0.116970 0.762243 F\n0.116972 0.762241 0.360675 F\n0.237758 0.639323 0.883029 F\n0.883029 0.237756 0.639326 F\n0.639325 0.883027 0.237758 F\n0.762242 0.360674 0.116972 F\n",
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"density": 3.2924662570192544,
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"volume": 95.97258620361193,
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{
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"created_at": "2022-09-04T14:35:42.005075Z",
"updated_at": "2022-09-04T14:35:42.005102Z",
"structure_string": "K1 Na1 Mg6\n1.0\n7.386756 0.536134 0.000000\n-3.229073 5.592917 0.000000\n0.000000 0.000000 5.276143\nK Na Mg\n1 1 6\ndirect\n0.128688 0.314343 0.250000 K\n0.165836 0.832917 0.250000 Na\n0.649509 0.329561 0.250000 Mg\n0.649509 0.819946 0.250000 Mg\n0.389335 0.194703 0.750000 Mg\n0.389336 0.694633 0.750000 Mg\n0.787731 0.143866 0.750000 Mg\n0.840058 0.670029 0.750000 Mg\n",
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{
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"structure_string": "Li1 Au1 F6\n1.0\n-2.476358 -4.289177 0.000000\n2.476358 -4.289177 0.000000\n0.000000 -2.859451 4.581944\nLi Au F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.909006 0.604244 0.245965 F\n0.604244 0.240787 0.245965 F\n0.240787 0.909006 0.245965 F\n0.090995 0.395757 0.754034 F\n0.395757 0.759214 0.754034 F\n0.759214 0.090995 0.754034 F\n",
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