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{
"id": "jvasp-58486",
"created_at": "2022-09-04T14:38:09.337197Z",
"updated_at": "2022-09-04T14:38:09.337213Z",
"structure_string": "Zn1 Co4 S8\n1.0\n5.656192 -0.191302 3.982282\n1.963495 5.307900 3.982282\n-0.284888 -0.191302 6.911579\nZn Co S\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Zn\n0.500001 0.999999 0.500000 Co\n0.999999 0.500000 0.500001 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.761042 0.268783 0.761043 S\n0.238956 0.238957 0.731217 S\n0.238956 0.731218 0.238956 S\n0.731216 0.238957 0.238957 S\n0.262284 0.262285 0.262284 S\n0.737716 0.737717 0.737716 S\n0.268784 0.761044 0.761043 S\n0.761044 0.761044 0.268782 S\n",
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{
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"updated_at": "2022-09-04T14:38:51.897179Z",
"structure_string": "Co4 Ag4 O12\n1.0\n4.968134 -0.320799 0.180256\n0.279870 5.706869 1.244460\n-0.311778 -0.030507 7.682234\nCo Ag O\n4 4 12\ndirect\n0.500051 0.825359 0.662646 Co\n0.499949 0.174645 0.337356 Co\n0.000052 0.325358 0.162647 Co\n-0.000053 0.674645 0.837354 Co\n-0.001438 0.726399 0.364171 Ag\n0.498557 0.226397 0.864171 Ag\n0.001441 0.273602 0.635827 Ag\n0.501439 0.773600 0.135829 Ag\n0.886430 0.366224 0.927234 O\n0.386430 0.866225 0.427233 O\n0.299361 0.554402 0.740297 O\n0.799362 0.054404 0.240297 O\n0.700637 0.445596 0.259703 O\n0.311321 0.167734 0.127239 O\n0.113570 0.633775 0.072766 O\n0.613566 0.133772 0.572766 O\n0.188679 0.332265 0.372762 O\n0.811320 0.667734 0.627237 O\n0.200639 0.945596 0.759702 O\n0.688677 0.832264 0.872763 O\n",
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"volume": 219.1324570433747,
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"formula_full": "Co4 Ag4 O12",
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{
"id": "jvasp-66118",
"created_at": "2022-09-04T14:36:12.725821Z",
"updated_at": "2022-09-04T14:36:12.725841Z",
"structure_string": "Ba4 Be1 Ru1\n1.0\n-0.000000 4.785034 4.785034\n4.785034 0.000000 4.785034\n4.785034 4.785034 0.000000\nBa Be Ru\n4 1 1\ndirect\n0.123572 0.625476 0.625476 Ba\n0.625476 0.625476 0.625476 Ba\n0.625476 0.123572 0.625476 Ba\n0.625476 0.625476 0.123572 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
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"density_atomic": 0.02738206333971157,
"volume": 219.1215441130888,
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"formula_full": "Ba4 Be1 Ru1",
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"spacegroup": 216
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{
"id": "jvasp-101978",
"created_at": "2022-09-04T14:37:51.400936Z",
"updated_at": "2022-09-04T14:37:51.400961Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.923134 -0.089140 -0.367774\n-0.738019 4.298334 -0.126764\n-0.465087 -0.064299 13.092116\nH Pb C O\n12 1 8 4\ndirect\n0.534230 0.273074 0.567060 H\n0.085086 0.111352 0.560451 H\n0.081375 0.155365 0.161089 H\n0.653471 0.106004 0.193539 H\n0.405852 0.724505 0.468357 H\n0.347448 0.220436 0.359274 H\n0.231836 0.681428 0.262046 H\n0.802871 0.623384 0.292900 H\n0.994463 0.638181 0.067644 H\n0.575148 0.602440 0.104367 H\n-0.041493 0.624528 0.480507 H\n0.906115 0.120616 0.377936 H\n-0.005572 0.876777 0.826367 Pb\n0.261024 0.502821 0.666173 C\n0.274021 0.333116 0.565086 C\n0.190786 0.523576 0.471455 C\n0.117449 0.322166 0.370750 C\n0.010384 0.497812 0.276278 C\n0.878834 0.284142 0.179192 C\n0.771663 0.466346 0.086163 C\n0.608055 0.262673 0.990466 C\n0.047005 0.376741 0.725419 O\n0.446570 0.775304 0.688733 O\n0.688015 0.346541 0.901642 O\n0.391761 0.012634 -0.000386 O\n",
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{
"id": "jvasp-21470",
"created_at": "2022-09-04T14:37:56.495462Z",
"updated_at": "2022-09-04T14:37:56.495487Z",
"structure_string": "Dy6 Ni4\n1.0\n3.636070 0.000000 0.000000\n-1.818035 6.363319 -1.777180\n0.000000 0.026734 9.462610\nDy Ni\n6 4\ndirect\n0.145197 0.290393 0.367891 Dy\n0.854804 0.709607 0.632109 Dy\n0.596254 0.192508 0.670637 Dy\n0.403747 0.807492 0.329363 Dy\n0.868485 0.736969 0.003112 Dy\n0.131516 0.263031 0.996888 Dy\n0.254650 0.509299 0.774639 Ni\n0.745351 0.490700 0.225361 Ni\n0.466221 0.932439 0.854351 Ni\n0.533780 0.067560 0.145649 Ni\n",
"nsites": 10,
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"volume": 219.11364017273286,
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"formula_full": "Dy6 Ni4",
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"spacegroup": 12
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{
"id": "jvasp-38605",
"created_at": "2022-09-04T14:37:56.659530Z",
"updated_at": "2022-09-04T14:37:56.659550Z",
"structure_string": "Nd6 Si2\n1.0\n3.487843 -6.041122 0.000000\n3.487843 6.041122 -0.000000\n0.000000 0.000000 5.199417\nNd Si\n6 2\ndirect\n0.819927 0.180072 0.250000 Nd\n0.819927 0.639854 0.250000 Nd\n0.360145 0.180072 0.250000 Nd\n0.180072 0.819927 0.750000 Nd\n0.180072 0.360145 0.750000 Nd\n0.639854 0.819927 0.750000 Nd\n0.666666 0.333333 0.750000 Si\n0.333333 0.666666 0.250000 Si\n",
"nsites": 8,
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"volume": 219.1084766447953,
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"formula_full": "Nd6 Si2",
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"spacegroup": 194
},
{
"id": "jvasp-56088",
"created_at": "2022-09-04T14:37:27.995971Z",
"updated_at": "2022-09-04T14:37:27.995992Z",
"structure_string": "Mg8 H16\n1.0\n4.792072 -0.000000 0.000000\n0.000000 4.876557 0.000000\n0.000000 0.000000 9.374959\nMg H\n8 16\ndirect\n0.278710 0.027864 0.117974 Mg\n0.221290 0.527864 0.882027 Mg\n0.721290 0.472137 0.617974 Mg\n0.778709 0.472137 0.117974 Mg\n0.778709 0.972137 0.382026 Mg\n0.278710 0.527864 0.382026 Mg\n0.221290 0.027864 0.617974 Mg\n0.721290 0.972137 0.882027 Mg\n0.158780 0.874119 0.294943 H\n0.658780 0.125882 0.205057 H\n0.477732 0.756657 0.526359 H\n0.522267 0.743344 0.026359 H\n0.841219 0.125882 0.705057 H\n0.841219 0.625882 0.794943 H\n0.977732 0.243343 0.973641 H\n0.977732 0.743344 0.526359 H\n0.341219 0.874119 0.794943 H\n0.341219 0.374118 0.705057 H\n0.158780 0.374118 0.205057 H\n0.022268 0.756657 0.026359 H\n0.022268 0.256657 0.473641 H\n0.522267 0.243343 0.473641 H\n0.477732 0.256657 0.973641 H\n0.658780 0.625882 0.294943 H\n",
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{
"id": "jvasp-36094",
"created_at": "2022-09-04T14:37:30.691523Z",
"updated_at": "2022-09-04T14:37:30.691546Z",
"structure_string": "Ce2 Cu4 Sb4\n1.0\n4.703366 0.000000 0.000000\n0.000000 4.703366 0.000000\n0.000000 -0.000000 9.902674\nCe Cu Sb\n2 4 4\ndirect\n0.000000 0.500000 0.759007 Ce\n0.500000 0.000000 0.240993 Ce\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.378265 Cu\n0.500000 0.000000 0.621734 Cu\n0.000000 0.500000 0.126404 Sb\n0.500000 0.000000 0.873595 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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],
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"volume": 219.06350542329028,
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"formula_full": "Ce2 Cu4 Sb4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 129
},
{
"id": "jvasp-111862",
"created_at": "2022-09-04T14:38:42.433193Z",
"updated_at": "2022-09-04T14:38:42.433220Z",
"structure_string": "Al2 Co4 S8\n1.0\n5.942643 -0.002016 -3.189672\n-1.980837 5.478406 -3.398878\n-0.030932 0.002016 6.744483\nAl Co S\n2 4 8\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Co\n0.499999 0.500000 -0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.500001 0.500000 Co\n0.725523 0.253821 0.471702 S\n0.738076 0.726266 0.488189 S\n0.282119 0.253821 0.028298 S\n0.261924 0.750114 0.988190 S\n0.717881 0.746180 0.971702 S\n0.261924 0.273734 0.511810 S\n0.738076 0.249886 0.011810 S\n0.274477 0.746180 0.528298 S\n",
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"volume": 219.06060866845567,
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{
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"created_at": "2022-09-04T14:37:15.191593Z",
"updated_at": "2022-09-04T14:37:15.191621Z",
"structure_string": "Tm4 Ga4 O12\n1.0\n5.220241 0.000000 0.000000\n0.000000 5.558169 0.000000\n0.000000 0.000000 7.549633\nTm Ga O\n4 4 12\ndirect\n0.021245 0.072614 0.990932 Tm\n0.478755 0.572614 0.990932 Tm\n0.521245 0.427386 0.490932 Tm\n0.978755 0.927386 0.490932 Tm\n0.000000 0.499994 0.240929 Ga\n0.500000 0.999994 0.240929 Ga\n0.500000 0.000006 0.740929 Ga\n-0.000000 0.500006 0.740929 Ga\n0.809970 0.193058 0.301091 O\n0.690030 0.693058 0.301091 O\n0.690040 0.693082 0.680753 O\n0.619256 0.956824 0.990925 O\n0.380744 0.043176 0.490926 O\n0.190040 0.806918 0.180753 O\n0.309970 0.306942 0.801091 O\n0.190030 0.806942 0.801091 O\n0.809960 0.193082 0.680753 O\n0.119256 0.543176 0.490926 O\n0.309960 0.306918 0.180753 O\n0.880744 0.456824 0.990925 O\n",
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"formula_full": "Tm4 Ga4 O12",
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{
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"created_at": "2022-09-04T14:38:40.002952Z",
"updated_at": "2022-09-04T14:38:40.002981Z",
"structure_string": "Ba1 Sr3\n1.0\n5.506487 -0.058146 -4.801855\n-1.176363 5.379679 -4.801855\n0.047313 0.058146 7.305954\nBa Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.499999 Sr\n0.250000 0.750000 0.499999 Sr\n0.500000 0.500000 -0.000000 Sr\n",
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},
{
"id": "jvasp-13364",
"created_at": "2022-09-04T14:37:02.468151Z",
"updated_at": "2022-09-04T14:37:02.468173Z",
"structure_string": "Li10 N2 Cl4\n1.0\n0.000000 6.668032 0.006944\n3.614993 0.000000 0.000000\n0.000000 -0.787419 -9.086897\nLi N Cl\n10 2 4\ndirect\n0.974224 0.500000 0.767889 Li\n0.542745 0.000000 0.754871 Li\n0.457255 0.000000 0.245130 Li\n0.871659 0.000000 0.063630 Li\n0.173812 0.000000 0.391073 Li\n0.826188 0.000000 0.608928 Li\n0.025775 0.500000 0.232112 Li\n0.279811 0.500000 0.101055 Li\n0.128341 0.000000 0.936371 Li\n0.720189 0.500000 0.898946 Li\n0.839149 0.000000 0.833071 N\n0.160851 0.000000 0.166930 N\n0.336752 0.500000 0.839218 Cl\n0.500000 0.000000 0.500000 Cl\n-0.000000 0.500000 0.500000 Cl\n0.663248 0.500000 0.160783 Cl\n",
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"formula_full": "Li10 N2 Cl4",
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"spacegroup": 10
}
]
}