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{
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"structure_string": "Sr10 Tl6\n1.0\n8.991735 0.000000 0.000000\n-4.495868 4.495868 7.908309\n0.000000 -8.991735 0.000000\nSr Tl\n10 6\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.024808 0.708688 0.183880 Sr\n0.683880 0.708688 0.524808 Sr\n0.183880 0.708688 0.683880 Sr\n0.524808 0.708688 0.024808 Sr\n0.975192 0.291312 0.816120 Sr\n0.316120 0.291312 0.475192 Sr\n0.816120 0.291312 0.316120 Sr\n0.475192 0.291312 0.975192 Sr\n0.250000 0.500000 0.250000 Tl\n0.750000 0.500000 0.750000 Tl\n0.376687 0.000000 0.123313 Tl\n0.623313 0.000000 0.876687 Tl\n0.123313 0.000000 0.623313 Tl\n0.876687 0.000000 0.376687 Tl\n",
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{
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{
"id": "mp-1192010",
"created_at": "2022-09-04T14:45:22.505489Z",
"structure_string": "Tb6 Ga4 Ni12\n1.0\n-4.463650 4.463650 4.463650\n4.463650 -4.463650 4.463650\n4.463650 4.463650 -4.463650\nTb Ga Ni\n6 4 12\ndirect\n0.710562 0.710562 0.000000 Tb\n0.289438 0.000000 0.289438 Tb\n0.000000 0.289438 0.289438 Tb\n0.289438 0.289438 0.000000 Tb\n0.710562 0.000000 0.710562 Tb\n0.000000 0.710562 0.710562 Tb\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.337760 0.337760 0.675520 Ni\n0.662240 0.000000 0.337760 Ni\n0.000000 0.662240 0.337760 Ni\n0.662240 0.337760 0.000000 Ni\n0.337760 0.675520 0.337760 Ni\n0.000000 0.337760 0.662240 Ni\n0.337760 0.662240 0.000000 Ni\n0.337760 0.000000 0.662240 Ni\n0.675520 0.337760 0.337760 Ni\n0.662240 0.662240 0.324480 Ni\n0.662240 0.324480 0.662240 Ni\n0.324480 0.662240 0.662240 Ni\n",
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},
{
"id": "mp-1120819",
"created_at": "2022-09-04T14:45:22.538258Z",
"structure_string": "Na1 Co2 Bi1 O6\n1.0\n4.954537 -2.680043 0.000000\n4.954537 2.680043 0.000000\n3.504830 0.000000 4.409789\nNa Co Bi O\n1 2 1 6\ndirect\n0.282274 0.282274 0.282274 Na\n0.010270 0.010270 0.010270 Co\n0.510459 0.510459 0.510459 Co\n0.797827 0.797827 0.797827 Bi\n0.126667 0.737854 0.376793 O\n0.376793 0.126667 0.737854 O\n0.737854 0.376793 0.126667 O\n0.230075 0.664243 0.829339 O\n0.664243 0.829339 0.230075 O\n0.829339 0.230075 0.664243 O\n",
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"formula_full": "Na1 Co2 Bi1 O6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-17313",
"created_at": "2022-09-04T14:45:22.541271Z",
"structure_string": "Mg6 Be2 Al16 O32\n1.0\n2.870180 -4.971297 0.000000\n2.870180 4.971297 0.000000\n0.000000 0.000000 18.507774\nMg Be Al O\n6 2 16 32\ndirect\n0.000000 0.000000 0.000087 Mg\n0.000000 0.000000 0.500087 Mg\n0.000000 0.000000 0.200600 Mg\n0.000000 0.000000 0.700600 Mg\n0.666667 0.333333 0.266571 Mg\n0.333333 0.666667 0.766571 Mg\n0.666667 0.333333 0.003717 Be\n0.333333 0.666667 0.503717 Be\n0.498295 0.996590 0.606382 Al\n0.996590 0.498295 0.106382 Al\n0.665885 0.832943 0.360772 Al\n0.832943 0.665885 0.860772 Al\n0.832943 0.167057 0.860772 Al\n0.167057 0.832943 0.360772 Al\n0.167057 0.334115 0.360772 Al\n0.334115 0.167057 0.860772 Al\n0.666667 0.333333 0.450242 Al\n0.333333 0.666667 0.950242 Al\n0.498295 0.501705 0.606382 Al\n0.501705 0.498295 0.106382 Al\n0.501705 0.003410 0.106382 Al\n0.003410 0.501705 0.606382 Al\n0.333333 0.666667 0.232797 Al\n0.666667 0.333333 0.732797 Al\n0.628491 0.814245 0.165414 O\n0.371509 0.185755 0.665414 O\n0.814245 0.185755 0.665414 O\n0.185755 0.371509 0.165414 O\n0.814245 0.628491 0.665414 O\n0.185755 0.814245 0.165414 O\n0.333333 0.666667 0.661453 O\n0.666667 0.333333 0.161453 O\n0.628985 0.814493 0.547408 O\n0.814493 0.628985 0.047408 O\n0.814493 0.185507 0.047408 O\n0.185507 0.814493 0.547408 O\n0.185507 0.371015 0.547408 O\n0.371015 0.185507 0.047408 O\n0.666667 0.333333 0.547938 O\n0.333333 0.666667 0.047938 O\n0.838070 0.676139 0.417243 O\n0.161930 0.838070 0.917243 O\n0.676139 0.838070 0.917243 O\n0.323861 0.161930 0.417243 O\n0.838070 0.161930 0.417243 O\n0.161930 0.323861 0.917243 O\n0.000000 0.000000 0.808757 O\n0.000000 0.000000 0.308757 O\n0.519516 0.039032 0.800175 O\n0.480484 0.519516 0.300175 O\n0.039032 0.519516 0.300175 O\n0.960968 0.480484 0.800175 O\n0.519516 0.480484 0.800175 O\n0.480484 0.960968 0.300175 O\n0.666667 0.333333 0.916556 O\n0.333333 0.666667 0.416556 O\n",
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],
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"density": 3.482133400237685,
"density_atomic": 0.10602908165192612,
"volume": 528.1569841738104,
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"formula_full": "Mg6 Be2 Al16 O32",
"formula_reduced": "Mg3BeAl8O16",
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"spacegroup": 186
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{
"id": "mp-1216332",
"created_at": "2022-09-04T14:45:22.569536Z",
"structure_string": "Yb12 O8 F40\n1.0\n-5.436853 5.436853 7.847939\n5.436853 -5.436853 7.847939\n5.436853 5.436853 -7.847939\nYb O F\n12 8 40\ndirect\n0.914932 0.414932 0.500000 Yb\n0.585068 0.085068 0.500000 Yb\n0.569581 0.430419 0.500000 Yb\n0.930419 0.069581 0.500000 Yb\n0.930419 0.430419 0.860838 Yb\n0.569581 0.069581 0.139162 Yb\n0.835068 0.835068 0.000000 Yb\n0.164932 0.164932 0.000000 Yb\n0.180419 0.819581 0.000000 Yb\n0.819581 0.180419 0.000000 Yb\n0.819581 0.819581 0.639162 Yb\n0.180419 0.180419 0.360838 Yb\n0.375000 0.625000 0.250000 O\n0.375000 0.625000 0.750000 O\n0.875000 0.625000 0.250000 O\n0.375000 0.125000 0.750000 O\n0.083794 0.583794 0.500000 O\n0.416206 0.916206 0.500000 O\n0.666206 0.666206 0.000000 O\n0.333794 0.333794 0.000000 O\n0.915328 0.095814 0.180487 F\n0.904186 0.084672 0.819513 F\n0.265159 0.084672 0.180487 F\n0.915328 0.734841 0.819513 F\n0.834672 0.154186 0.319513 F\n0.845814 0.165328 0.680487 F\n0.484841 0.165328 0.319513 F\n0.834672 0.515159 0.680487 F\n0.071473 0.918316 0.846843 F\n0.081684 0.928527 0.153157 F\n0.775370 0.928527 0.846843 F\n0.071473 0.224630 0.153157 F\n0.678527 0.331684 0.653157 F\n0.668316 0.321473 0.346843 F\n0.974630 0.321473 0.653157 F\n0.678527 0.025370 0.346843 F\n0.122500 0.389101 0.500335 F\n0.610899 0.877500 0.499665 F\n0.377835 0.111234 0.500335 F\n0.888766 0.622165 0.499665 F\n0.372165 0.372500 0.233399 F\n0.861234 0.860899 0.233399 F\n0.139101 0.138766 0.766601 F\n0.627500 0.627835 0.766601 F\n0.875000 0.386545 0.011545 F\n0.375000 0.863455 0.988455 F\n0.613455 0.125000 0.988455 F\n0.136545 0.625000 0.011545 F\n0.888766 0.389101 0.266601 F\n0.377835 0.877500 0.266601 F\n0.610899 0.111234 0.733399 F\n0.122500 0.622165 0.733399 F\n0.139101 0.372500 0.000335 F\n0.627500 0.860899 0.999665 F\n0.372165 0.138766 0.999665 F\n0.861234 0.627835 0.000335 F\n0.375000 0.386545 0.511545 F\n0.875000 0.863455 0.488455 F\n0.136545 0.125000 0.511545 F\n0.613455 0.625000 0.488455 F\n",
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"formula_full": "Yb12 O8 F40",
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"spacegroup": 141
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{
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"created_at": "2022-09-04T14:45:22.588670Z",
"structure_string": "Ba3 Sr1 Sm2 Cu6 O12\n1.0\n-2.751716 2.751716 11.973635\n2.751716 -2.751716 11.973635\n2.751716 2.751716 -11.973635\nBa Sr Sm Cu O\n3 1 2 6 12\ndirect\n0.904364 0.904364 0.000000 Ba\n0.095995 0.095995 0.000000 Ba\n0.595715 0.595715 0.000000 Ba\n0.400046 0.400046 0.000000 Sr\n0.750223 0.750223 0.000000 Sm\n0.250265 0.250265 0.000000 Sm\n0.321819 0.821819 0.500000 Cu\n0.821819 0.321819 0.500000 Cu\n0.179034 0.679034 0.500000 Cu\n0.679034 0.179034 0.500000 Cu\n0.999359 0.499359 0.500000 Cu\n0.499359 0.999359 0.500000 Cu\n0.561872 0.065824 0.000000 O\n0.065824 0.561872 0.000000 O\n0.561872 0.561872 0.496048 O\n0.065824 0.065824 0.503952 O\n0.437820 0.937178 0.000000 O\n0.937178 0.437820 0.000000 O\n0.437820 0.437820 0.500642 O\n0.937178 0.937178 0.499358 O\n0.423662 0.923662 0.500000 O\n0.923662 0.423662 0.500000 O\n0.075127 0.575127 0.500000 O\n0.575127 0.075127 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:45:23.265065Z",
"structure_string": "Ni2 C8 N2 Cl6\n1.0\n4.254055 -7.368240 0.000000\n4.254055 7.368240 0.000000\n0.000000 0.000000 5.764576\nNi C N Cl\n2 8 2 6\ndirect\n0.000000 0.000000 0.506129 Ni\n0.000000 0.000000 0.006129 Ni\n0.666667 0.333333 0.568806 C\n0.333333 0.666667 0.068806 C\n0.629724 0.194191 0.750159 C\n0.564467 0.370276 0.750159 C\n0.805809 0.435533 0.750159 C\n0.370276 0.805809 0.250159 C\n0.435533 0.629724 0.250159 C\n0.194191 0.564467 0.250159 C\n0.666667 0.333333 0.929924 N\n0.333333 0.666667 0.429924 N\n0.840905 0.079816 0.256384 Cl\n0.238911 0.159095 0.256384 Cl\n0.920184 0.761089 0.256384 Cl\n0.159095 0.920184 0.756384 Cl\n0.761089 0.840905 0.756384 Cl\n0.079816 0.238911 0.756384 Cl\n",
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{
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"structure_string": "Mg2 Ti4\n1.0\n1.464475 5.784733 0.000000\n-1.464475 5.784733 0.000000\n0.000000 1.567752 6.617472\nMg Ti\n2 4\ndirect\n0.528320 0.528320 0.195920 Mg\n0.471680 0.471680 0.804080 Mg\n0.792413 0.792413 0.146816 Ti\n0.151387 0.151387 0.474582 Ti\n0.848613 0.848613 0.525418 Ti\n0.207587 0.207587 0.853184 Ti\n",
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{
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"updated_at": "2021-11-28T01:37:03.626000Z",
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{
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{
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"formula_full": "Ho4 Te4 Cl4 O12",
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}