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{
"id": "mp-1096460",
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"structure_string": "Sc2 Tc1 Ru1\n1.0\n-4.539932 5.621265 7.918590\n4.539932 -5.621265 7.918590\n4.539932 5.621265 -7.918590\nSc Tc Ru\n2 1 1\ndirect\n0.000000 0.258485 0.258485 Sc\n0.000000 0.741515 0.741515 Sc\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ru\n",
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{
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"formula_full": "Li3 Fe8 B8 O24",
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"spacegroup": 1
},
{
"id": "mp-1184923",
"created_at": "2022-09-04T14:43:51.675151Z",
"structure_string": "K3 Hf1\n1.0\n-2.878891 2.878891 6.205484\n2.878891 -2.878891 6.205484\n2.878891 2.878891 -6.205484\nK Hf\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Hf\n",
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"formula_full": "K3 Hf1",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:36:20.099000Z",
"spacegroup": 139
},
{
"id": "mp-759094",
"created_at": "2022-09-04T14:43:41.248842Z",
"structure_string": "La24 Ni12 O49\n1.0\n11.063992 -5.526280 0.000154\n5.533319 5.528916 0.000648\n5.533047 0.001731 12.632293\nLa Ni O\n24 12 49\ndirect\n0.123821 0.121164 0.137116 La\n0.214026 0.218585 0.362051 La\n0.119371 0.619948 0.137577 La\n0.117653 0.119636 0.637899 La\n0.122169 0.623721 0.637373 La\n0.455996 0.455873 0.136170 La\n0.547080 0.040855 0.363213 La\n0.209973 0.211053 0.860532 La\n0.212916 0.710794 0.361578 La\n0.541238 0.551490 0.362242 La\n0.210520 0.718080 0.860868 La\n0.550130 0.045720 0.856625 La\n0.452704 0.957165 0.136119 La\n0.785055 0.283588 0.137885 La\n0.459426 0.451046 0.638956 La\n0.789255 0.790765 0.137915 La\n0.452920 0.955314 0.643255 La\n0.781578 0.289780 0.639142 La\n0.882789 0.372184 0.362756 La\n0.545949 0.548178 0.856966 La\n0.882326 0.384603 0.860969 La\n0.877439 0.882909 0.363069 La\n0.780684 0.783177 0.642901 La\n0.880916 0.876366 0.860767 La\n0.998665 0.999647 0.001636 Ni\n0.999599 0.498380 0.002856 Ni\n0.999720 0.999176 0.501737 Ni\n0.999199 0.500054 0.502037 Ni\n0.334800 0.335119 0.996713 Ni\n0.666789 0.167410 0.997896 Ni\n0.331477 0.836063 0.998043 Ni\n0.332429 0.333233 0.502136 Ni\n0.667047 0.169321 0.498519 Ni\n0.332476 0.833912 0.501278 Ni\n0.669137 0.665279 0.999631 Ni\n0.667149 0.664791 0.497545 Ni\n0.052179 0.060894 0.321114 O\n0.002864 0.251302 0.495070 O\n0.166400 0.415594 0.002272 O\n0.274042 0.265094 0.178088 O\n0.060575 0.064038 0.823315 O\n0.069215 0.556582 0.321495 O\n0.164741 0.416078 0.505165 O\n0.329978 0.086406 0.498409 O\n0.498011 0.249690 0.005510 O\n0.333368 0.583333 0.002219 O\n0.004112 0.748762 0.498961 O\n0.160081 0.912055 0.015351 O\n0.055524 0.553452 0.822733 O\n0.383415 0.397584 0.321676 O\n0.281053 0.781705 0.177137 O\n0.277472 0.279749 0.675915 O\n0.605929 0.117169 0.178263 O\n0.500848 0.249418 0.495006 O\n0.333075 0.586143 0.495814 O\n0.168323 0.919727 0.494469 O\n0.831286 0.083617 0.003492 O\n0.503064 0.752673 0.991333 O\n0.000496 0.751351 0.995954 O\n0.336963 0.084196 0.995032 O\n0.607318 0.170849 0.669728 O\n0.265617 0.775395 0.675554 O\n0.601794 0.597174 0.178055 O\n0.390423 0.401627 0.824442 O\n0.734318 0.203676 0.321168 O\n0.399949 0.889365 0.321391 O\n0.664376 0.915259 0.003726 O\n0.999166 0.248239 0.003874 O\n0.497678 0.752267 0.504010 O\n0.674941 0.424744 0.474293 O\n0.832498 0.077373 0.504527 O\n0.829784 0.576346 0.014956 O\n0.340859 0.913652 0.826160 O\n0.726833 0.214077 0.824888 O\n0.717979 0.746904 0.321167 O\n0.944597 0.447794 0.179572 O\n0.614532 0.549315 0.669554 O\n0.662710 0.913202 0.509868 O\n0.579909 0.832993 0.753714 O\n0.666991 0.419567 0.994407 O\n0.835589 0.587513 0.494828 O\n0.938220 0.436693 0.676207 O\n0.937058 0.929488 0.178847 O\n0.771607 0.706888 0.825810 O\n0.952981 0.942911 0.675546 O\n",
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"elements": [
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"volume": 1158.9953262245688,
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"formula_full": "La24 Ni12 O49",
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"spacegroup": 1
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{
"id": "mp-505498",
"created_at": "2022-09-04T14:43:51.492592Z",
"structure_string": "P2 H16 Br2 N8\n1.0\n9.223147 0.000000 0.000000\n0.000000 9.223147 0.000000\n0.000000 0.000000 4.414870\nP H Br N\n2 16 2 8\ndirect\n0.000000 0.500000 0.500000 P\n0.500000 0.000000 0.500000 P\n0.607682 0.240236 0.880700 H\n0.240236 0.392318 0.880700 H\n0.759764 0.607682 0.880700 H\n0.392318 0.759764 0.880700 H\n0.392318 0.240236 0.119300 H\n0.607682 0.759764 0.119300 H\n0.240236 0.607682 0.119300 H\n0.759764 0.392318 0.119300 H\n0.892318 0.259764 0.119300 H\n0.259764 0.107682 0.119300 H\n0.740236 0.892318 0.119300 H\n0.107682 0.740236 0.119300 H\n0.107682 0.259764 0.880700 H\n0.892318 0.740236 0.880700 H\n0.259764 0.892318 0.880700 H\n0.740236 0.107682 0.880700 H\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.697166 0.197166 0.985878 N\n0.197166 0.302834 0.985878 N\n0.802834 0.697166 0.985878 N\n0.302834 0.802834 0.985878 N\n0.302834 0.197166 0.014122 N\n0.697166 0.802834 0.014122 N\n0.197166 0.697166 0.014122 N\n0.802834 0.302834 0.014122 N\n",
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"formula_full": "P2 H16 Br2 N8",
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{
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{
"id": "mp-1177537",
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"structure_string": "Li4 Fe5 Ni1 O12\n1.0\n4.403587 2.607956 0.000000\n-4.403587 2.607956 0.000000\n0.000000 0.002654 10.327173\nLi Fe Ni O\n4 5 1 12\ndirect\n0.347884 0.851798 0.751244 Li\n0.148202 0.652116 0.248756 Li\n0.851798 0.347884 0.751244 Li\n0.652116 0.148202 0.248756 Li\n0.165884 0.834116 0.500000 Fe\n0.666153 0.333847 0.000000 Fe\n0.333847 0.666153 0.000000 Fe\n0.834116 0.165884 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n0.335857 0.969157 0.108183 O\n0.030843 0.664143 0.891817 O\n0.478726 0.830535 0.391543 O\n0.830535 0.478726 0.391543 O\n0.169465 0.521274 0.608457 O\n0.839490 0.839490 0.596258 O\n0.521274 0.169465 0.608457 O\n0.969157 0.335857 0.108183 O\n0.648124 0.648124 0.094499 O\n0.664143 0.030843 0.891817 O\n0.351876 0.351876 0.905501 O\n0.160510 0.160510 0.403742 O\n",
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{
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}