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{
"id": "mp-1030333",
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{
"id": "mp-1077165",
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"structure_string": "Yb1 Cu4 Au1\n1.0\n0.000000 3.533239 3.533239\n3.533239 0.000000 3.533239\n3.533239 3.533239 0.000000\nYb Cu Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.624943 0.624943 0.125171 Cu\n0.624943 0.125171 0.624943 Cu\n0.125171 0.624943 0.624943 Cu\n0.624943 0.624943 0.624943 Cu\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "mp-1210651",
"created_at": "2022-09-04T14:40:17.467537Z",
"structure_string": "Lu10 Ni4 Bi2\n1.0\n-3.704014 3.704014 6.924129\n3.704014 -3.704014 6.924129\n3.704014 3.704014 -6.924129\nLu Ni Bi\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.790688 0.290688 0.816514 Lu\n0.209312 0.709312 0.183486 Lu\n0.474175 0.974175 0.183486 Lu\n0.290688 0.474175 0.500000 Lu\n0.025825 0.209312 0.500000 Lu\n0.525825 0.025825 0.816514 Lu\n0.709312 0.525825 0.500000 Lu\n0.974175 0.790688 0.500000 Lu\n0.130306 0.630306 0.760613 Ni\n0.869694 0.369694 0.239387 Ni\n0.630306 0.869694 0.500000 Ni\n0.369694 0.130306 0.500000 Ni\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n",
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},
{
"id": "mp-559605",
"created_at": "2022-09-04T14:40:17.476611Z",
"structure_string": "Si6 O12\n1.0\n4.511695 -7.246696 0.000000\n4.511695 7.246696 0.000000\n-7.127968 0.000000 4.697028\nSi O\n6 12\ndirect\n0.806209 0.806209 0.185148 Si\n0.814852 0.193791 0.193791 Si\n0.806209 0.185148 0.806209 Si\n0.193791 0.814852 0.193791 Si\n0.185148 0.806209 0.806209 Si\n0.193791 0.193791 0.814852 Si\n0.177386 0.000000 0.822615 O\n0.500000 0.000000 0.500000 O\n0.822615 0.177386 0.000000 O\n0.177385 0.822615 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.822615 0.177386 O\n0.000000 0.000000 0.500000 O\n0.822615 0.000000 0.177386 O\n0.000000 0.500000 0.500000 O\n0.000000 0.177386 0.822615 O\n0.000000 0.500000 0.000000 O\n",
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"updated_at": "2021-11-28T01:34:51.435000Z",
"spacegroup": 166
},
{
"id": "mp-2585",
"created_at": "2022-09-04T14:40:17.503338Z",
"structure_string": "Sr10 Sb6\n1.0\n4.797705 -8.309869 0.000000\n4.797705 8.309869 0.000000\n0.000000 0.000000 7.463552\nSr Sb\n10 6\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.500000 Sr\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666667 0.500000 Sr\n0.253171 0.000000 0.250000 Sr\n0.253171 0.253171 0.750000 Sr\n0.000000 0.746829 0.750000 Sr\n0.000000 0.253171 0.250000 Sr\n0.746829 0.746829 0.250000 Sr\n0.746829 0.000000 0.750000 Sr\n0.609762 0.000000 0.250000 Sb\n0.609762 0.609762 0.750000 Sb\n0.000000 0.390238 0.750000 Sb\n0.000000 0.609762 0.250000 Sb\n0.390238 0.390238 0.250000 Sb\n0.390238 0.000000 0.750000 Sb\n",
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"density": 4.483290002651341,
"density_atomic": 0.026885412604941546,
"volume": 595.1182611591832,
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"formula_full": "Sr10 Sb6",
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"formula_anonymous": "A3B5",
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"spacegroup": 193
},
{
"id": "mp-1195757",
"created_at": "2022-09-04T14:40:17.508009Z",
"structure_string": "Li4 Sn2 H20 O16\n1.0\n10.504125 0.000000 0.000000\n0.000000 6.096108 0.000000\n0.000000 2.882162 5.419505\nLi Sn H O\n4 2 20 16\ndirect\n0.064389 0.344986 0.826132 Li\n0.564389 0.155014 0.173868 Li\n0.935611 0.655014 0.173868 Li\n0.435611 0.844986 0.826132 Li\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.123074 0.385941 0.432985 H\n0.623074 0.114059 0.567015 H\n0.876926 0.614059 0.567015 H\n0.376926 0.885941 0.432985 H\n0.792667 0.287991 0.349768 H\n0.292667 0.212009 0.650232 H\n0.207333 0.712009 0.650232 H\n0.707333 0.787991 0.349768 H\n0.195448 0.132797 0.199297 H\n0.695448 0.367203 0.800703 H\n0.804552 0.867203 0.800703 H\n0.304552 0.632797 0.199297 H\n0.875191 0.149832 0.856455 H\n0.375191 0.350168 0.143545 H\n0.124809 0.850168 0.143545 H\n0.624809 0.649832 0.856455 H\n0.868496 0.301032 0.023102 H\n0.368496 0.198968 0.976898 H\n0.131504 0.698968 0.976898 H\n0.631504 0.801032 0.023102 H\n0.116276 0.226500 0.587459 O\n0.616276 0.273500 0.412541 O\n0.883724 0.773500 0.412541 O\n0.383724 0.726500 0.587459 O\n0.880923 0.306653 0.284180 O\n0.380923 0.193347 0.715820 O\n0.119077 0.693347 0.715820 O\n0.619077 0.806653 0.284180 O\n0.105592 0.099394 0.175833 O\n0.605592 0.400606 0.824167 O\n0.894408 0.900606 0.824167 O\n0.394408 0.599394 0.175833 O\n0.869570 0.318714 0.850062 O\n0.369570 0.181286 0.149938 O\n0.130430 0.681286 0.149938 O\n0.630430 0.818714 0.850062 O\n",
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"elements": [
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"formula_full": "Li4 Sn2 H20 O16",
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{
"id": "mp-727391",
"created_at": "2022-09-04T14:40:16.983291Z",
"structure_string": "Na4 Ca4 P12 O24\n1.0\n9.893484 0.000000 0.000000\n0.000000 9.893484 0.000000\n0.000000 0.000000 9.893484\nNa Ca P O\n4 4 12 24\ndirect\n0.871755 0.371755 0.128245 Na\n0.371755 0.128245 0.871755 Na\n0.128245 0.871755 0.371755 Na\n0.628245 0.628245 0.628245 Na\n0.326099 0.826099 0.673901 Ca\n0.826099 0.673901 0.326099 Ca\n0.673901 0.326099 0.826099 Ca\n0.173901 0.173901 0.173901 Ca\n0.981909 0.698535 0.659953 P\n0.340047 0.481909 0.801465 P\n0.198535 0.840047 0.018091 P\n0.481909 0.801465 0.340047 P\n0.840047 0.018091 0.198535 P\n0.698535 0.659953 0.981909 P\n0.018091 0.198535 0.840047 P\n0.659953 0.981909 0.698535 P\n0.801465 0.340047 0.481909 P\n0.518091 0.301465 0.159953 P\n0.159953 0.518091 0.301465 P\n0.301465 0.159953 0.518091 P\n0.862709 0.694532 0.561869 O\n0.438131 0.362709 0.805468 O\n0.194532 0.938131 0.137291 O\n0.362709 0.805468 0.438131 O\n0.938131 0.137291 0.194532 O\n0.694532 0.561869 0.862709 O\n0.137291 0.194532 0.938131 O\n0.561869 0.862709 0.694532 O\n0.805468 0.438131 0.362709 O\n0.637291 0.305468 0.061869 O\n0.061869 0.637291 0.305468 O\n0.305468 0.061869 0.637291 O\n0.098373 0.787842 0.611225 O\n0.388775 0.598373 0.712158 O\n0.287842 0.888775 0.901627 O\n0.598373 0.712158 0.388775 O\n0.888775 0.901627 0.287842 O\n0.787842 0.611225 0.098373 O\n0.901627 0.287842 0.888775 O\n0.611225 0.098373 0.787842 O\n0.712158 0.388775 0.598373 O\n0.401627 0.212158 0.111225 O\n0.111225 0.401627 0.212158 O\n0.212158 0.111225 0.401627 O\n",
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{
"id": "mp-695390",
"created_at": "2022-09-04T14:40:16.995199Z",
"structure_string": "Na13 Zr7 Si5 P7 O48\n1.0\n8.039682 -0.037409 4.843183\n2.722236 7.565168 4.841167\n-0.108625 -0.080839 18.745949\nNa Zr Si P O\n13 7 5 7 48\ndirect\n0.017990 0.014495 0.009860 Na\n0.151609 0.151287 0.075787 Na\n0.127298 0.377150 0.371227 Na\n0.366932 0.786717 0.069385 Na\n0.789575 0.143422 0.181625 Na\n0.249738 0.882052 0.302255 Na\n0.617705 0.247445 0.440617 Na\n0.137051 0.365121 0.898835 Na\n0.883897 0.588651 0.125432 Na\n0.371394 0.752841 0.557880 Na\n0.748752 0.111043 0.694075 Na\n0.252974 0.872238 0.809343 Na\n0.596427 0.260345 0.936317 Na\n0.357052 0.356378 0.174892 Zr\n0.145680 0.146647 0.573371 Zr\n0.348495 0.356122 0.681001 Zr\n0.645183 0.649031 0.326381 Zr\n0.856070 0.850845 0.426217 Zr\n0.657017 0.653036 0.815753 Zr\n0.849794 0.847672 0.926459 Zr\n0.040235 0.745240 0.231547 Si\n0.462583 0.038167 0.375024 Si\n0.744817 0.460059 0.016243 Si\n0.043898 0.752053 0.730646 Si\n0.461724 0.038808 0.872230 Si\n0.249429 0.541642 0.480800 P\n0.551689 0.952189 0.123410 P\n0.952176 0.247048 0.275362 P\n0.746155 0.462343 0.521472 P\n0.247299 0.551465 0.975776 P\n0.538431 0.964542 0.623111 P\n0.959028 0.246886 0.771549 P\n0.123237 0.268349 0.256666 O\n0.269936 0.505486 0.063041 O\n0.059161 0.907224 0.141953 O\n0.507528 0.123079 0.136530 O\n0.014181 0.775623 0.318299 O\n0.208390 0.561480 0.223522 O\n0.286889 0.080311 0.460963 O\n0.433406 0.205051 0.286569 O\n0.562497 0.446793 0.102515 O\n0.220924 0.376668 0.497095 O\n0.091037 0.709568 0.463321 O\n0.401909 0.954543 0.112551 O\n0.638681 0.007531 0.387219 O\n0.126375 0.277017 0.752333 O\n0.906426 0.280687 0.029589 O\n0.777965 0.632780 0.003496 O\n0.416054 0.559872 0.396937 O\n0.283685 0.513414 0.560280 O\n0.588994 0.787749 0.207154 O\n0.073620 0.927622 0.643435 O\n0.510441 0.132664 0.633300 O\n0.727951 0.932466 0.042429 O\n0.023961 0.771533 0.817897 O\n0.218448 0.581405 0.710939 O\n0.784708 0.403800 0.301418 O\n0.953091 0.239368 0.196597 O\n0.282958 0.059259 0.953565 O\n0.480990 0.854709 0.374231 O\n0.936119 0.076877 0.359367 O\n0.443658 0.215647 0.781657 O\n0.726155 0.476396 0.441326 O\n0.583652 0.431879 0.604389 O\n0.222638 0.401006 0.979096 O\n0.083078 0.727053 0.968209 O\n0.863557 0.702904 0.261546 O\n0.369831 0.999159 0.610475 O\n0.636702 0.013507 0.886482 O\n0.913311 0.301436 0.536817 O\n0.763204 0.633099 0.504432 O\n0.410219 0.589418 0.893101 O\n0.555231 0.800855 0.705237 O\n0.699698 0.940640 0.539659 O\n0.789779 0.403732 0.787660 O\n0.988666 0.211479 0.691950 O\n0.511216 0.873946 0.846134 O\n0.943947 0.080860 0.856246 O\n0.711164 0.506815 0.927893 O\n0.866225 0.738251 0.743996 O\n",
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},
{
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"created_at": "2022-09-04T14:40:17.012185Z",
"structure_string": "Cu6 Ge2\n1.0\n2.645738 -4.582552 0.000000\n2.645738 4.582552 0.000000\n0.000000 0.000000 4.213635\nCu Ge\n6 2\ndirect\n0.164811 0.329623 0.250000 Cu\n0.670377 0.835189 0.250000 Cu\n0.164811 0.835189 0.250000 Cu\n0.835189 0.670377 0.750000 Cu\n0.329623 0.164811 0.750000 Cu\n0.835189 0.164811 0.750000 Cu\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
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