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{
"id": "mp-1211929",
"created_at": "2022-09-04T14:44:22.135817Z",
"structure_string": "K8 Te4 Mo8 P8 O56\n1.0\n8.866172 0.000000 0.000000\n0.000000 11.379623 0.000000\n0.000000 0.000000 12.723335\nK Te Mo P O\n8 4 8 8 56\ndirect\n0.028742 0.217401 0.303665 K\n0.971258 0.782599 0.696335 K\n0.471258 0.717401 0.196335 K\n0.028742 0.282599 0.696335 K\n0.528742 0.282599 0.803665 K\n0.971258 0.717401 0.303665 K\n0.471258 0.782599 0.803665 K\n0.528742 0.217401 0.196335 K\n0.139852 0.250000 0.000000 Te\n0.860148 0.750000 0.000000 Te\n0.360148 0.750000 0.500000 Te\n0.639852 0.250000 0.500000 Te\n0.237819 0.478983 0.379911 Mo\n0.762181 0.521017 0.620089 Mo\n0.262181 0.978983 0.120089 Mo\n0.237819 0.021017 0.620089 Mo\n0.737819 0.021017 0.879911 Mo\n0.762181 0.978983 0.379911 Mo\n0.262181 0.521017 0.879911 Mo\n0.737819 0.478983 0.120089 Mo\n0.356887 0.005914 0.369759 P\n0.643113 0.994086 0.630241 P\n0.143113 0.505914 0.130241 P\n0.356887 0.494086 0.630241 P\n0.856887 0.494086 0.869759 P\n0.643113 0.505914 0.369759 P\n0.143113 0.994086 0.869759 P\n0.856887 0.005914 0.130241 P\n0.272509 0.058460 0.466126 O\n0.727491 0.941540 0.533874 O\n0.227491 0.558460 0.033874 O\n0.272509 0.441540 0.533874 O\n0.772509 0.441540 0.966126 O\n0.727491 0.558460 0.466126 O\n0.227491 0.941540 0.966126 O\n0.772509 0.058460 0.033874 O\n0.310417 0.344005 0.338330 O\n0.689583 0.655995 0.661670 O\n0.189583 0.844005 0.161670 O\n0.310417 0.155995 0.661670 O\n0.810417 0.155995 0.838330 O\n0.689583 0.844005 0.338330 O\n0.189583 0.655995 0.838330 O\n0.810417 0.344005 0.161670 O\n0.020964 0.050111 0.128569 O\n0.979036 0.949889 0.871430 O\n0.479036 0.550111 0.371431 O\n0.020964 0.449889 0.871430 O\n0.520964 0.449889 0.628570 O\n0.979036 0.550111 0.128569 O\n0.479036 0.949889 0.628570 O\n0.520964 0.050111 0.371431 O\n0.282059 0.155335 0.071522 O\n0.717941 0.844665 0.928478 O\n0.217941 0.655335 0.428478 O\n0.282059 0.344665 0.928478 O\n0.782059 0.344665 0.571522 O\n0.717941 0.655335 0.071522 O\n0.217941 0.844665 0.571522 O\n0.782059 0.155335 0.428478 O\n0.045807 0.451778 0.379621 O\n0.954193 0.548222 0.620379 O\n0.454193 0.951778 0.120379 O\n0.045807 0.048222 0.620379 O\n0.545807 0.048222 0.879621 O\n0.954193 0.951778 0.379621 O\n0.454193 0.548222 0.879621 O\n0.545807 0.451778 0.120379 O\n0.274722 0.053039 0.269499 O\n0.725278 0.946961 0.730501 O\n0.225278 0.553039 0.230501 O\n0.274722 0.446961 0.730501 O\n0.774722 0.446961 0.769499 O\n0.725278 0.553039 0.269499 O\n0.225278 0.946961 0.769499 O\n0.774722 0.053039 0.230501 O\n0.154870 0.369635 0.130235 O\n0.845130 0.630365 0.869765 O\n0.345130 0.869635 0.369765 O\n0.154870 0.130365 0.869765 O\n0.654870 0.130365 0.630235 O\n0.845130 0.869635 0.130235 O\n0.345130 0.630365 0.630235 O\n0.654870 0.369635 0.369765 O\n",
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"formula_full": "K8 Te4 Mo8 P8 O56",
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{
"id": "mp-1075341",
"created_at": "2022-09-04T14:44:22.146414Z",
"structure_string": "Mg6 Si8\n1.0\n4.867684 0.000000 0.000000\n2.071075 7.576253 0.000000\n1.193325 3.377658 7.252019\nMg Si\n6 8\ndirect\n0.211867 0.161960 0.281809 Mg\n0.583778 0.234994 0.876423 Mg\n0.730759 0.619013 0.542544 Mg\n0.235729 0.738763 0.278965 Mg\n0.627479 0.440859 0.156365 Mg\n0.258150 0.966177 0.805654 Mg\n0.185798 0.687096 0.686237 Si\n0.771641 0.018957 0.260377 Si\n0.794524 0.263557 0.522637 Si\n0.253856 0.353752 0.505357 Si\n0.025813 0.388992 0.884332 Si\n0.107439 0.600917 0.020729 Si\n0.752877 0.940099 0.595826 Si\n0.713491 0.838317 0.082635 Si\n",
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"formula_full": "Mg6 Si8",
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"spacegroup": 1
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{
"id": "mp-757118",
"created_at": "2022-09-04T14:44:22.156115Z",
"structure_string": "Li2 Mn4 F12\n1.0\n4.738144 0.000000 0.000000\n0.000000 4.738144 0.000000\n0.000000 0.000000 9.605606\nLi Mn F\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.165917 Mn\n0.000000 0.000000 0.334083 Mn\n0.000000 0.000000 0.665917 Mn\n0.500000 0.500000 0.834083 Mn\n0.303259 0.696741 0.000000 F\n0.202607 0.202607 0.167334 F\n0.797393 0.797393 0.167334 F\n0.297393 0.702607 0.332666 F\n0.702607 0.297393 0.332666 F\n0.196741 0.196741 0.500000 F\n0.803259 0.803259 0.500000 F\n0.297393 0.702607 0.667334 F\n0.702607 0.297393 0.667334 F\n0.202607 0.202607 0.832666 F\n0.797393 0.797393 0.832666 F\n0.696741 0.303259 0.000000 F\n",
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"formula_full": "Li2 Mn4 F12",
"formula_reduced": "LiMn2F6",
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"spacegroup": 136
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{
"id": "mp-1181720",
"created_at": "2022-09-04T14:44:22.172199Z",
"structure_string": "Cr1 Cu3 Pb1 Se4\n1.0\n6.014766 0.000000 0.000000\n0.000000 6.014766 0.000000\n0.000000 0.000000 6.014766\nCr Cu Pb Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pb\n0.227837 0.227837 0.227837 Se\n0.772163 0.772163 0.227837 Se\n0.227837 0.772163 0.772163 Se\n0.772163 0.227837 0.772163 Se\n",
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"formula_full": "Cr1 Cu3 Pb1 Se4",
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{
"id": "mp-1228303",
"created_at": "2022-09-04T14:44:22.171865Z",
"structure_string": "Ca4 Al4 Fe2 Si6 O26\n1.0\n0.000000 -5.813213 0.000000\n-8.348614 0.000000 2.003799\n-2.274467 0.000000 -10.290198\nCa Al Fe Si O\n4 4 2 6 26\ndirect\n0.750000 0.925408 0.341621 Ca\n0.250000 0.074592 0.658379 Ca\n0.250000 0.094130 0.347360 Ca\n0.750000 0.905870 0.652640 Ca\n0.750000 0.230395 0.147941 Al\n0.250000 0.769605 0.852059 Al\n0.750000 0.401542 0.424159 Al\n0.250000 0.598458 0.575841 Al\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.250000 0.438128 0.327972 Si\n0.750000 0.561872 0.672028 Si\n0.250000 0.676493 0.148989 Si\n0.750000 0.323507 0.851011 Si\n0.750000 0.607179 0.221708 Si\n0.250000 0.392821 0.778292 Si\n0.250000 0.486694 0.174145 O\n0.750000 0.513306 0.825855 O\n0.750000 0.879262 0.023245 O\n0.250000 0.120738 0.976755 O\n0.250000 0.793824 0.025075 O\n0.750000 0.206176 0.974925 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.524662 0.089290 0.177283 O\n0.024662 0.910710 0.822717 O\n0.475338 0.910710 0.822717 O\n0.975338 0.089290 0.177283 O\n0.750000 0.439623 0.148704 O\n0.250000 0.560377 0.851296 O\n0.479971 0.329116 0.358235 O\n0.979971 0.670884 0.641765 O\n0.520029 0.670884 0.641765 O\n0.020029 0.329116 0.358235 O\n0.516488 0.720895 0.199755 O\n0.016488 0.279105 0.800245 O\n0.483512 0.279105 0.800245 O\n0.983512 0.720895 0.199755 O\n0.250000 0.597327 0.411641 O\n0.750000 0.402673 0.588359 O\n0.750000 0.596426 0.374967 O\n0.250000 0.403574 0.625033 O\n",
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{
"id": "mp-756414",
"created_at": "2022-09-04T14:44:22.241298Z",
"structure_string": "Li2 Cr3 Co1 O8\n1.0\n5.014295 -2.985811 0.000000\n5.014295 2.985811 0.000000\n3.236365 0.000000 4.856353\nLi Cr Co O\n2 3 1 8\ndirect\n0.875727 0.875727 0.875727 Li\n0.124273 0.124273 0.124273 Li\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Co\n0.735302 0.735302 0.735302 O\n0.731513 0.731513 0.291097 O\n0.731513 0.291097 0.731513 O\n0.291097 0.731513 0.731513 O\n0.708903 0.268487 0.268487 O\n0.268487 0.708903 0.268487 O\n0.268487 0.268487 0.708903 O\n0.264698 0.264698 0.264698 O\n",
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"formula_full": "Li2 Cr3 Co1 O8",
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{
"id": "mp-759008",
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"structure_string": "Li4 Mn8 C8 O32\n1.0\n6.407334 0.000000 0.124382\n0.000000 9.248582 0.000000\n0.107683 0.000000 9.344738\nLi Mn C O\n4 8 8 32\ndirect\n0.126032 0.317622 0.899023 Li\n0.373968 0.817622 0.600977 Li\n0.626032 0.182378 0.399023 Li\n0.873968 0.682378 0.100977 Li\n0.124719 0.948071 0.877272 Mn\n0.127611 0.570138 0.384636 Mn\n0.375281 0.448071 0.622728 Mn\n0.372389 0.070138 0.115364 Mn\n0.627611 0.929862 0.884636 Mn\n0.624719 0.551929 0.377272 Mn\n0.872389 0.429862 0.615364 Mn\n0.875281 0.051929 0.122728 Mn\n0.135397 0.640219 0.839513 C\n0.120730 0.866286 0.332406 C\n0.364603 0.140219 0.660487 C\n0.379270 0.366286 0.167594 C\n0.620730 0.633714 0.832406 C\n0.635397 0.859781 0.339513 C\n0.879270 0.133714 0.667594 C\n0.864603 0.359781 0.160487 C\n0.150520 0.519274 0.757775 O\n0.147807 0.762731 0.768495 O\n0.104883 0.628239 0.969459 O\n0.104242 0.115399 0.999298 O\n0.110380 0.985752 0.249541 O\n0.096850 0.742440 0.265202 O\n0.155155 0.874586 0.461416 O\n0.141924 0.400646 0.505648 O\n0.395758 0.615399 0.500702 O\n0.395117 0.128239 0.530541 O\n0.352193 0.262731 0.731505 O\n0.349481 0.019274 0.742225 O\n0.358076 0.900646 0.994352 O\n0.344845 0.374586 0.038584 O\n0.403150 0.242440 0.234798 O\n0.389620 0.485752 0.250459 O\n0.610380 0.514248 0.749541 O\n0.596850 0.757560 0.765202 O\n0.655155 0.625414 0.961416 O\n0.641924 0.099354 0.005648 O\n0.650519 0.980726 0.257775 O\n0.647807 0.737269 0.268495 O\n0.604883 0.871761 0.469459 O\n0.604242 0.384601 0.499298 O\n0.858076 0.599354 0.494352 O\n0.844845 0.125414 0.538584 O\n0.903150 0.257560 0.734798 O\n0.889620 0.014248 0.750459 O\n0.895758 0.884601 0.000702 O\n0.895117 0.371761 0.030541 O\n0.852193 0.237269 0.231505 O\n0.849481 0.480726 0.242225 O\n",
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"formula_full": "Li4 Mn8 C8 O32",
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}
]
}