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{
"id": "mp-7905",
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"structure_string": "Si2 O4\n1.0\n-2.364626 2.881011 3.125430\n2.364626 -2.881011 3.125430\n2.364626 2.881011 -3.125430\nSi O\n2 4\ndirect\n0.000000 0.250000 0.250000 Si\n0.000000 0.750000 0.750000 Si\n0.985331 0.632577 0.352754 O\n0.720177 0.867423 0.852754 O\n0.279823 0.132577 0.147246 O\n0.014669 0.367423 0.647246 O\n",
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{
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"formula_full": "Zn24 P16",
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{
"id": "mp-1184873",
"created_at": "2022-09-04T14:46:58.625458Z",
"structure_string": "K3 Cr1\n1.0\n0.000000 4.641622 4.641622\n4.641622 0.000000 4.641622\n4.641622 4.641622 0.000000\nK Cr\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n",
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"formula_full": "K3 Cr1",
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"spacegroup": 225
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{
"id": "mp-1188323",
"created_at": "2022-09-04T14:46:58.987484Z",
"structure_string": "Ti8 O12\n1.0\n2.854986 0.000000 0.000000\n0.000000 7.880405 0.000000\n0.000000 0.000000 8.208305\nTi O\n8 12\ndirect\n0.250000 0.029941 0.684005 Ti\n0.250000 0.529941 0.815995 Ti\n0.750000 0.970059 0.315995 Ti\n0.750000 0.470059 0.184005 Ti\n0.250000 0.195936 0.018297 Ti\n0.250000 0.695936 0.481703 Ti\n0.750000 0.804064 0.981703 Ti\n0.750000 0.304064 0.518297 Ti\n0.250000 0.943240 0.125097 O\n0.250000 0.443240 0.374903 O\n0.750000 0.056760 0.874903 O\n0.750000 0.556760 0.625097 O\n0.250000 0.120835 0.446667 O\n0.250000 0.620835 0.053333 O\n0.750000 0.879165 0.553333 O\n0.750000 0.379165 0.946667 O\n0.250000 0.792028 0.810738 O\n0.250000 0.292028 0.689262 O\n0.750000 0.207972 0.189262 O\n0.750000 0.707972 0.310738 O\n",
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"density": 5.1696025590006265,
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"formula_full": "Ti8 O12",
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{
"id": "mp-1075693",
"created_at": "2022-09-04T14:46:59.094965Z",
"structure_string": "Mg10 Si18\n1.0\n7.606799 0.000000 0.000000\n3.778542 6.673121 0.000000\n1.692399 2.436783 9.590076\nMg Si\n10 18\ndirect\n0.514030 0.967028 0.714736 Mg\n0.164128 0.885232 0.356603 Mg\n0.376821 0.410741 0.532916 Mg\n0.722548 0.499185 0.391924 Mg\n0.124869 0.186099 0.537849 Mg\n0.880310 0.688959 0.555739 Mg\n0.363749 0.973325 0.057926 Mg\n0.784290 0.950128 0.913696 Mg\n0.874618 0.215179 0.062449 Mg\n0.464533 0.605104 0.919157 Mg\n0.770966 0.844639 0.217672 Si\n0.118379 0.537656 0.975027 Si\n0.722881 0.119345 0.361126 Si\n0.127510 0.793506 0.695867 Si\n0.447159 0.518322 0.229123 Si\n0.717770 0.363488 0.721635 Si\n0.489117 0.232043 0.122723 Si\n0.831267 0.592828 0.852157 Si\n0.125948 0.296938 0.198408 Si\n0.805764 0.098027 0.594393 Si\n0.126090 0.999132 0.848632 Si\n0.111372 0.779056 0.097928 Si\n0.490936 0.974791 0.399879 Si\n0.130336 0.325474 0.760942 Si\n0.429272 0.296841 0.852751 Si\n0.720993 0.612398 0.104890 Si\n0.468241 0.703394 0.592011 Si\n0.096208 0.531267 0.331614 Si\n",
"nsites": 28,
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"formula_full": "Mg10 Si18",
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"formula_anonymous": "A5B9",
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{
"id": "mp-22899",
"created_at": "2022-09-04T14:46:58.452834Z",
"structure_string": "Li1 I1\n1.0\n0.000000 3.012850 3.012850\n3.012850 0.000000 3.012850\n3.012850 3.012850 0.000000\nLi I\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 I\n",
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{
"id": "mp-2343",
"created_at": "2022-09-04T14:46:58.464954Z",
"structure_string": "Mg2 Sn1\n1.0\n0.000000 3.408323 3.408323\n3.408323 0.000000 3.408323\n3.408323 3.408323 0.000000\nMg Sn\n2 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "mp-1210090",
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"structure_string": "Nd8 Rh2\n1.0\n-5.574357 -5.574357 0.000000\n-5.574357 0.000000 -5.574357\n0.000000 -5.574357 -5.574357\nNd Rh\n8 2\ndirect\n0.612073 0.612073 0.612073 Nd\n0.163781 0.612073 0.612073 Nd\n0.612073 0.163781 0.612073 Nd\n0.586219 0.137927 0.137927 Nd\n0.137927 0.137927 0.137927 Nd\n0.612073 0.612073 0.163781 Nd\n0.137927 0.586219 0.137927 Nd\n0.137927 0.137927 0.586219 Nd\n0.000000 0.000000 0.000000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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"structure_string": "Gd4 Ni14\n1.0\n4.846220 -0.000331 11.356399\n2.321557 4.253965 11.356399\n-0.000557 -0.000331 12.347212\nGd Ni\n4 14\ndirect\n0.949114 0.949114 0.949114 Gd\n0.147271 0.147271 0.147271 Gd\n0.050886 0.050886 0.050886 Gd\n0.852729 0.852729 0.852729 Gd\n0.721563 0.721563 0.721563 Ni\n0.387897 0.387897 0.387897 Ni\n0.109725 0.609742 0.609742 Ni\n0.609742 0.109725 0.609742 Ni\n0.390258 0.390258 0.890275 Ni\n0.612103 0.612103 0.612103 Ni\n0.500000 0.000000 0.500000 Ni\n0.890275 0.390258 0.390258 Ni\n0.500000 0.500000 0.500000 Ni\n0.390258 0.890275 0.390258 Ni\n0.278437 0.278437 0.278437 Ni\n0.609742 0.609742 0.109725 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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{
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"structure_string": "Hf1 Pd2\n1.0\n-1.716112 1.716112 4.364381\n1.716112 -1.716112 4.364381\n1.716112 1.716112 -4.364381\nHf Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.338581 0.338581 0.000000 Pd\n0.661419 0.661419 0.000000 Pd\n",
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{
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"structure_string": "Fe2 Se2\n1.0\n2.206088 -2.707994 0.000000\n2.206088 2.707994 0.000000\n0.000000 0.000000 7.140479\nFe Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.750000 0.250000 0.743548 Se\n0.250000 0.750000 0.256452 Se\n",
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{
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"structure_string": "Yb2 Br4\n1.0\n6.823253 0.000000 0.000000\n0.000000 6.823253 0.000000\n0.000000 0.000000 4.354596\nYb Br\n2 4\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.802136 0.197864 0.500000 Br\n0.197864 0.802136 0.500000 Br\n0.302136 0.302136 0.000000 Br\n0.697864 0.697864 0.000000 Br\n",
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}