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{
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"structure_string": "Hf1 Mg30 Cu1 O32\n1.0\n8.583843 0.000000 0.000000\n0.000000 8.583843 0.000000\n0.000000 0.000000 8.626270\nHf Mg Cu O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.254041 0.239490 Mg\n0.000000 0.254041 0.760510 Mg\n0.000000 0.745959 0.239490 Mg\n0.000000 0.745959 0.760510 Mg\n0.500000 0.250785 0.247482 Mg\n0.500000 0.250785 0.752518 Mg\n0.500000 0.749215 0.247482 Mg\n0.500000 0.749215 0.752518 Mg\n0.254041 0.000000 0.239490 Mg\n0.254041 0.000000 0.760510 Mg\n0.250785 0.500000 0.247482 Mg\n0.250785 0.500000 0.752518 Mg\n0.745959 0.000000 0.239490 Mg\n0.745959 0.000000 0.760510 Mg\n0.749215 0.500000 0.247482 Mg\n0.749215 0.500000 0.752518 Mg\n0.249040 0.249040 0.000000 Mg\n0.256196 0.256196 0.500000 Mg\n0.249040 0.750960 0.000000 Mg\n0.256196 0.743804 0.500000 Mg\n0.750960 0.249040 0.000000 Mg\n0.743804 0.256196 0.500000 Mg\n0.750960 0.750960 0.000000 Mg\n0.743804 0.743804 0.500000 Mg\n0.000000 0.000000 0.000000 Cu\n0.264669 0.000000 0.000000 O\n0.245817 0.000000 0.500000 O\n0.252282 0.500000 0.000000 O\n0.249375 0.500000 0.500000 O\n0.735331 0.000000 0.000000 O\n0.754183 0.000000 0.500000 O\n0.747718 0.500000 0.000000 O\n0.750625 0.500000 0.500000 O\n0.249192 0.249192 0.250847 O\n0.249192 0.249192 0.749153 O\n0.249192 0.750808 0.250847 O\n0.249192 0.750808 0.749153 O\n0.750808 0.249192 0.250847 O\n0.750808 0.249192 0.749153 O\n0.750808 0.750808 0.250847 O\n0.750808 0.750808 0.749153 O\n0.000000 0.000000 0.263667 O\n0.000000 0.000000 0.736333 O\n0.000000 0.500000 0.254397 O\n0.000000 0.500000 0.745603 O\n0.500000 0.000000 0.254397 O\n0.500000 0.000000 0.745603 O\n0.500000 0.500000 0.251379 O\n0.500000 0.500000 0.748621 O\n0.000000 0.264669 0.000000 O\n0.000000 0.245817 0.500000 O\n0.000000 0.735331 0.000000 O\n0.000000 0.754183 0.500000 O\n0.500000 0.252282 0.000000 O\n0.500000 0.249375 0.500000 O\n0.500000 0.747718 0.000000 O\n0.500000 0.750625 0.500000 O\n",
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{
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"elements": [
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],
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"formula_full": "Rb24 P24 H40 N8",
"formula_reduced": "Rb3P3H5N",
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"updated_at": "2021-11-28T01:34:32.466000Z",
"spacegroup": 61
},
{
"id": "mp-1075139",
"created_at": "2022-09-04T14:39:38.129256Z",
"structure_string": "Mg6 Si8\n1.0\n6.512882 0.640930 2.053381\n2.851843 6.832022 -1.597355\n0.022361 0.324880 6.071485\nMg Si\n6 8\ndirect\n0.507284 0.604461 0.196327 Mg\n0.753478 0.551736 0.583590 Mg\n0.154564 0.121030 0.475771 Mg\n0.632611 0.210291 0.342543 Mg\n0.043372 0.572772 0.912644 Mg\n0.249963 0.869442 0.906932 Mg\n0.312420 0.227455 0.029832 Si\n0.884344 0.975438 0.787039 Si\n0.590652 0.892815 0.023457 Si\n0.606248 0.878165 0.425720 Si\n0.943702 0.268283 0.000564 Si\n0.194987 0.478083 0.414052 Si\n0.617801 0.300786 0.801295 Si\n0.008805 0.802604 0.353755 Si\n",
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"formula_full": "Mg6 Si8",
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},
{
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"created_at": "2022-09-04T14:39:38.133432Z",
"structure_string": "Mg2 Al2 O4 F10\n1.0\n-3.522196 3.542805 5.142406\n3.522196 -3.542805 5.142406\n3.522196 3.542805 -5.142406\nMg Al O F\n2 2 4 10\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.646189 0.885720 0.760469 O\n0.353811 0.114280 0.239531 O\n0.625251 0.385720 0.239531 O\n0.374749 0.614280 0.760469 O\n0.953792 0.179688 0.379520 F\n0.046208 0.425728 0.225897 F\n0.300168 0.679688 0.225897 F\n0.699832 0.925728 0.379520 F\n0.046208 0.820312 0.620480 F\n0.953792 0.574272 0.774103 F\n0.699832 0.320312 0.774103 F\n0.300168 0.074272 0.620480 F\n0.074955 0.250000 0.824955 F\n0.925045 0.750000 0.175045 F\n",
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{
"id": "mp-1179664",
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"structure_string": "V8 Hg8 O28\n1.0\n3.457299 0.000000 0.000000\n0.000000 19.266052 0.000000\n0.000000 0.000000 12.002204\nV Hg O\n8 8 28\ndirect\n0.250000 0.702017 0.464892 V\n0.750000 0.048387 0.067480 V\n0.250000 0.451613 0.567480 V\n0.250000 0.951613 0.932520 V\n0.750000 0.797983 0.964892 V\n0.750000 0.548387 0.432520 V\n0.750000 0.297983 0.535108 V\n0.250000 0.202017 0.035108 V\n0.250000 0.403743 0.800256 Hg\n0.750000 0.596257 0.199744 Hg\n0.250000 0.903743 0.699744 Hg\n0.750000 0.096257 0.300256 Hg\n0.250000 0.291121 0.233064 Hg\n0.250000 0.791121 0.266936 Hg\n0.750000 0.208879 0.733064 Hg\n0.750000 0.708879 0.766936 Hg\n0.250000 0.482660 0.113902 O\n0.750000 0.490652 0.576824 O\n0.250000 0.710326 0.633617 O\n0.250000 0.776796 0.574038 O\n0.250000 0.251910 0.622653 O\n0.250000 0.361000 0.516076 O\n0.750000 0.789674 0.133617 O\n0.250000 0.009348 0.076824 O\n0.750000 0.248090 0.122653 O\n0.750000 0.139000 0.016076 O\n0.750000 0.223204 0.425962 O\n0.250000 0.509348 0.423176 O\n0.250000 0.276796 0.925962 O\n0.250000 0.982660 0.386098 O\n0.750000 0.517340 0.886098 O\n0.750000 0.574878 0.935072 O\n0.750000 0.074878 0.564928 O\n0.750000 0.723204 0.074038 O\n0.750000 0.289674 0.366383 O\n0.250000 0.210326 0.866383 O\n0.750000 0.639000 0.483924 O\n0.250000 0.861000 0.983924 O\n0.250000 0.925122 0.435072 O\n0.750000 0.017340 0.613902 O\n0.250000 0.751910 0.877347 O\n0.250000 0.425122 0.064928 O\n0.750000 0.748090 0.377347 O\n0.750000 0.990652 0.923176 O\n",
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}
]
}