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{
"id": "mp-772930",
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"structure_string": "Na8 Li4 Fe4 P4 C4 O28\n1.0\n6.662556 0.000000 0.000000\n0.091987 8.855228 0.000000\n0.082161 0.294250 10.310274\nNa Li Fe P C O\n8 4 4 4 4 28\ndirect\n0.756727 0.918274 0.119028 Na\n0.754377 0.918395 0.619963 Na\n0.000451 0.739512 0.374476 Na\n0.499956 0.739946 0.375360 Na\n0.499198 0.740452 0.873550 Na\n0.496692 0.258625 0.124459 Na\n0.497125 0.261665 0.622321 Na\n0.003880 0.260603 0.626070 Na\n0.983981 0.724429 0.881515 Li\n0.014585 0.271170 0.123488 Li\n0.241361 0.093074 0.373507 Li\n0.236012 0.089102 0.875109 Li\n0.249620 0.649232 0.107081 Fe\n0.247427 0.648089 0.609845 Fe\n0.752491 0.351646 0.387942 Fe\n0.752401 0.348876 0.891178 Fe\n0.755930 0.583027 0.145881 P\n0.753535 0.588318 0.649149 P\n0.247241 0.404634 0.349463 P\n0.244992 0.410998 0.854183 P\n0.240896 0.954043 0.135221 C\n0.247458 0.946713 0.640214 C\n0.753629 0.060259 0.361900 C\n0.759606 0.052632 0.866307 C\n0.746720 0.915229 0.353770 O\n0.773647 0.906889 0.860411 O\n0.250818 0.911207 0.015449 O\n0.248461 0.907311 0.518669 O\n0.247063 0.851607 0.229247 O\n0.240097 0.843150 0.732286 O\n0.935197 0.684483 0.100494 O\n0.561944 0.670848 0.103637 O\n0.936075 0.684137 0.601933 O\n0.562251 0.683447 0.612791 O\n0.753873 0.565657 0.297172 O\n0.252426 0.559421 0.415640 O\n0.764000 0.567798 0.800280 O\n0.228427 0.568754 0.915293 O\n0.770559 0.424568 0.087082 O\n0.232360 0.429840 0.199133 O\n0.750187 0.432635 0.585549 O\n0.242442 0.433734 0.703780 O\n0.437304 0.307025 0.382022 O\n0.069019 0.304846 0.397886 O\n0.439246 0.322748 0.893977 O\n0.070322 0.303992 0.899165 O\n0.762608 0.146815 0.258404 O\n0.754945 0.137193 0.760689 O\n0.751624 0.122581 0.475395 O\n0.749536 0.118519 0.977257 O\n0.225499 0.094959 0.164102 O\n0.253776 0.086892 0.671279 O\n",
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"spacegroup": 1
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{
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"structure_string": "Gd2 Si3\n1.0\n1.990569 -3.447767 0.000000\n1.990569 3.447767 0.000000\n0.000000 0.000000 8.000023\nGd Si\n2 3\ndirect\n0.000000 0.000000 0.242659 Gd\n0.000000 0.000000 0.757341 Gd\n0.333333 0.666667 0.500000 Si\n0.666667 0.333333 0.000000 Si\n0.666667 0.333333 0.500000 Si\n",
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"density": 6.030044217386869,
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"formula_full": "Gd2 Si3",
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{
"id": "mp-1046817",
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"structure_string": "Ca8 Ni10 Te6 O36\n1.0\n4.467554 7.982934 0.000000\n-4.467554 7.982934 0.000000\n0.000000 0.659992 10.493594\nCa Ni Te O\n8 10 6 36\ndirect\n0.322714 0.039245 0.092300 Ca\n0.344529 0.661964 0.917504 Ca\n0.960755 0.677286 0.407700 Ca\n0.338036 0.655471 0.582496 Ca\n0.661964 0.344529 0.417504 Ca\n0.039245 0.322714 0.592300 Ca\n0.677286 0.960755 0.907700 Ca\n0.655471 0.338036 0.082496 Ca\n0.318770 0.995378 0.731798 Ni\n0.995378 0.318770 0.231798 Ni\n0.136731 0.521622 0.060542 Ni\n0.521622 0.136731 0.560542 Ni\n0.478378 0.863269 0.439458 Ni\n0.828868 0.171132 0.750000 Ni\n0.171132 0.828868 0.250000 Ni\n0.863269 0.478378 0.939458 Ni\n0.681230 0.004622 0.268202 Ni\n0.004622 0.681230 0.768202 Ni\n0.681883 0.661029 0.683602 Te\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.661029 0.681883 0.183602 Te\n0.318117 0.338971 0.316398 Te\n0.338971 0.318117 0.816398 Te\n0.902664 0.611182 0.608404 O\n0.223396 0.963716 0.559954 O\n0.430613 0.789687 0.268445 O\n0.915927 0.953923 0.163797 O\n0.036284 0.776604 0.940046 O\n0.046077 0.084073 0.336203 O\n0.602394 0.608521 0.032677 O\n0.866070 0.226090 0.568129 O\n0.133930 0.773910 0.431871 O\n0.231170 0.288073 0.168902 O\n0.455340 0.735409 0.759023 O\n0.768830 0.711927 0.831098 O\n0.776604 0.036284 0.440046 O\n0.557029 0.900653 0.614421 O\n0.264591 0.544660 0.740977 O\n0.397606 0.391479 0.967323 O\n0.544660 0.264591 0.240977 O\n0.099347 0.442971 0.885579 O\n0.210313 0.569387 0.231555 O\n0.735409 0.455340 0.259023 O\n0.611182 0.902664 0.108404 O\n0.442971 0.099347 0.385579 O\n0.773910 0.133930 0.931871 O\n0.608521 0.602394 0.532677 O\n0.569387 0.210313 0.731555 O\n0.953923 0.915927 0.663797 O\n0.288073 0.231170 0.668902 O\n0.391479 0.397606 0.467323 O\n0.963716 0.223396 0.059954 O\n0.900653 0.557029 0.114421 O\n0.097336 0.388818 0.391596 O\n0.084073 0.046077 0.836203 O\n0.226090 0.866070 0.068129 O\n0.711927 0.768830 0.331098 O\n0.789687 0.430613 0.768445 O\n0.388818 0.097336 0.891596 O\n",
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"elements": [
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"Te",
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],
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"volume": 748.4910336062313,
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"formula_full": "Ca8 Ni10 Te6 O36",
"formula_reduced": "Ca4Ni5(TeO6)3",
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"spacegroup": 15
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{
"id": "mp-862722",
"created_at": "2022-09-04T14:48:07.014327Z",
"structure_string": "Li1 Ho1 Au2\n1.0\n0.000000 3.428792 3.428792\n3.428792 0.000000 3.428792\n3.428792 3.428792 0.000000\nLi Ho Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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{
"id": "mp-1225937",
"created_at": "2022-09-04T14:48:07.016304Z",
"structure_string": "Cs2 Fe2 Ni2 F12\n1.0\n-3.689753 3.744191 5.243467\n3.689753 -3.744191 5.243467\n3.689753 3.744191 -5.243467\nCs Fe Ni F\n2 2 2 12\ndirect\n0.871093 0.621093 0.250000 Cs\n0.128907 0.378907 0.750000 Cs\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.816160 0.066160 0.750000 F\n0.426066 0.676066 0.750000 F\n0.825134 0.688946 0.757719 F\n0.431226 0.067414 0.742281 F\n0.825134 0.067414 0.136188 F\n0.431226 0.688946 0.363812 F\n0.183840 0.933840 0.250000 F\n0.573934 0.323934 0.250000 F\n0.174866 0.311054 0.242281 F\n0.568774 0.932586 0.257719 F\n0.174866 0.932586 0.863812 F\n0.568774 0.311054 0.636188 F\n",
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"formula_full": "Cs2 Fe2 Ni2 F12",
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{
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"created_at": "2022-09-04T14:48:07.027786Z",
"structure_string": "Rb2 Ti1 Ag1 F6\n1.0\n0.000000 4.450885 4.450885\n4.450885 0.000000 4.450885\n4.450885 4.450885 0.000000\nRb Ti Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ag\n0.223982 0.223982 0.776018 F\n0.223982 0.776018 0.776018 F\n0.776018 0.776018 0.223982 F\n0.223982 0.776018 0.223982 F\n0.776018 0.223982 0.776018 F\n0.776018 0.223982 0.223982 F\n",
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{
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"structure_string": "Li6 Mn3 Co1 O10\n1.0\n2.997531 0.000000 0.000000\n1.485105 6.287465 0.000000\n0.669298 1.745274 9.738119\nLi Mn Co O\n6 3 1 10\ndirect\n0.886476 0.205364 0.692528 Li\n0.106164 0.802215 0.300942 Li\n0.485451 0.012677 0.498351 Li\n0.707968 0.582960 0.102596 Li\n0.315578 0.393580 0.911721 Li\n0.381705 0.211839 0.193152 Li\n0.002883 0.006603 0.007466 Mn\n0.197568 0.599046 0.595902 Mn\n0.615466 0.794346 0.803654 Mn\n0.790744 0.391972 0.389048 Co\n0.490609 0.076639 0.868003 O\n0.635656 0.677043 0.449704 O\n0.030209 0.885152 0.654144 O\n0.225638 0.494952 0.263257 O\n0.853700 0.281398 0.044701 O\n0.360347 0.315937 0.545530 O\n0.521712 0.913842 0.130600 O\n0.941517 0.126554 0.358983 O\n0.180129 0.715603 0.946713 O\n0.770479 0.512279 0.743006 O\n",
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{
"id": "mp-1209986",
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"structure_string": "Na2 Li2 Er4 F16\n1.0\n4.172953 -5.264057 0.000000\n4.172953 5.264057 0.000000\n0.000000 0.000000 7.083412\nNa Li Er F\n2 2 4 16\ndirect\n0.655393 0.655393 0.250000 Na\n0.344607 0.344607 0.750000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.075598 0.450137 0.250000 Er\n0.924402 0.549863 0.750000 Er\n0.450137 0.075598 0.250000 Er\n0.549863 0.924402 0.750000 Er\n0.088831 0.088831 0.250000 F\n0.911169 0.911169 0.750000 F\n0.934867 0.657093 0.050238 F\n0.065133 0.342907 0.949762 F\n0.657093 0.934867 0.449762 F\n0.342907 0.065133 0.550238 F\n0.388200 0.388200 0.250000 F\n0.611800 0.611800 0.750000 F\n0.745563 0.306075 0.250000 F\n0.254437 0.693925 0.750000 F\n0.306075 0.745563 0.250000 F\n0.693925 0.254437 0.750000 F\n0.065133 0.342907 0.550238 F\n0.934867 0.657093 0.449762 F\n0.342907 0.065133 0.949762 F\n0.657093 0.934867 0.050238 F\n",
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"formula_full": "Na2 Li2 Er4 F16",
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{
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{
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{
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}