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{
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{
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"formula_full": "Ga8 P8 H36 N4 O44",
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{
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"structure_string": "V3 Co20 B6\n1.0\n0.000000 5.207116 5.207116\n5.207116 0.000000 5.207116\n5.207116 5.207116 0.000000\nV Co B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 V\n0.750000 0.750000 0.750000 V\n0.250000 0.250000 0.250000 V\n0.619909 0.619909 0.140273 Co\n0.619909 0.140273 0.619909 Co\n0.140273 0.619909 0.619909 Co\n0.619909 0.619909 0.619909 Co\n0.380091 0.380091 0.859727 Co\n0.380091 0.859727 0.380091 Co\n0.859727 0.380091 0.380091 Co\n0.380091 0.380091 0.380091 Co\n0.000000 0.000000 0.339208 Co\n0.660792 0.000000 0.339208 Co\n0.000000 0.660792 0.339208 Co\n0.660792 0.339208 0.000000 Co\n0.000000 0.339208 0.000000 Co\n0.000000 0.339208 0.660792 Co\n0.339208 0.660792 0.000000 Co\n0.339208 0.000000 0.660792 Co\n0.339208 0.000000 0.000000 Co\n0.000000 0.000000 0.660792 Co\n0.000000 0.660792 0.000000 Co\n0.660792 0.000000 0.000000 Co\n0.726105 0.726105 0.273895 B\n0.273895 0.726105 0.273895 B\n0.726105 0.273895 0.273895 B\n0.273895 0.273895 0.726105 B\n0.726105 0.273895 0.726105 B\n0.273895 0.726105 0.726105 B\n",
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{
"id": "mp-1036804",
"created_at": "2022-09-04T14:43:15.962537Z",
"structure_string": "Mg30 Ti1 V1 O32\n1.0\n8.533371 0.000000 0.000000\n0.000000 8.533371 0.000000\n0.000000 0.000000 8.557714\nMg Ti V O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248882 0.248882 0.000000 Mg\n0.248882 0.751118 0.000000 Mg\n0.751118 0.248882 0.000000 Mg\n0.751118 0.751118 0.000000 Mg\n0.250127 0.250127 0.500000 Mg\n0.250127 0.749873 0.500000 Mg\n0.749873 0.250127 0.500000 Mg\n0.749873 0.749873 0.500000 Mg\n0.000000 0.250706 0.250825 Mg\n0.000000 0.749294 0.250825 Mg\n0.500000 0.250144 0.251072 Mg\n0.500000 0.749856 0.251072 Mg\n0.000000 0.250706 0.749175 Mg\n0.000000 0.749294 0.749175 Mg\n0.500000 0.250144 0.748928 Mg\n0.500000 0.749856 0.748928 Mg\n0.250706 0.000000 0.250825 Mg\n0.250144 0.500000 0.251072 Mg\n0.749294 0.000000 0.250825 Mg\n0.749856 0.500000 0.251072 Mg\n0.250706 0.000000 0.749175 Mg\n0.250144 0.500000 0.748928 Mg\n0.749294 0.000000 0.749175 Mg\n0.749856 0.500000 0.748928 Mg\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.254869 O\n0.000000 0.500000 0.250450 O\n0.500000 0.000000 0.250450 O\n0.500000 0.500000 0.259369 O\n0.000000 0.000000 0.745131 O\n0.000000 0.500000 0.749550 O\n0.500000 0.000000 0.749550 O\n0.500000 0.500000 0.740631 O\n0.249927 0.249927 0.249226 O\n0.249927 0.750073 0.249226 O\n0.750073 0.249927 0.249226 O\n0.750073 0.750073 0.249226 O\n0.249927 0.249927 0.750774 O\n0.249927 0.750073 0.750774 O\n0.750073 0.249927 0.750774 O\n0.750073 0.750073 0.750774 O\n0.000000 0.254972 0.000000 O\n0.000000 0.745028 0.000000 O\n0.500000 0.246998 0.000000 O\n0.500000 0.753002 0.000000 O\n0.000000 0.250261 0.500000 O\n0.000000 0.749739 0.500000 O\n0.500000 0.248951 0.500000 O\n0.500000 0.751049 0.500000 O\n0.254972 0.000000 0.000000 O\n0.246998 0.500000 0.000000 O\n0.745028 0.000000 0.000000 O\n0.753002 0.500000 0.000000 O\n0.250261 0.000000 0.500000 O\n0.248951 0.500000 0.500000 O\n0.749739 0.000000 0.500000 O\n0.751049 0.500000 0.500000 O\n",
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{
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"structure_string": "Li4 V2 P8 H32 O40\n1.0\n10.709360 0.000000 0.000000\n0.000000 7.193745 0.000000\n0.000000 5.235766 10.869174\nLi V P H O\n4 2 8 32 40\ndirect\n0.840674 0.202372 0.046418 Li\n0.340674 0.797628 0.453582 Li\n0.659326 0.202372 0.546418 Li\n0.159326 0.797628 0.953582 Li\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.740099 0.682478 0.584043 P\n0.240099 0.317522 0.915957 P\n0.544642 0.038736 0.223369 P\n0.044642 0.961264 0.276631 P\n0.955358 0.038736 0.723369 P\n0.455358 0.961264 0.776631 P\n0.759901 0.682478 0.084043 P\n0.259901 0.317522 0.415957 P\n0.094194 0.740190 0.605008 H\n0.460351 0.667209 0.691899 H\n0.066938 0.482068 0.895483 H\n0.877642 0.506003 0.810858 H\n0.669372 0.469711 0.842449 H\n0.209098 0.136884 0.289294 H\n0.169372 0.530289 0.657551 H\n0.377642 0.493997 0.689142 H\n0.913634 0.910215 0.424210 H\n0.608142 0.899404 0.445495 H\n0.566938 0.517932 0.604517 H\n0.960351 0.332791 0.808101 H\n0.594194 0.259810 0.894992 H\n0.108142 0.100596 0.054505 H\n0.413634 0.089785 0.075790 H\n0.709098 0.863116 0.210706 H\n0.290902 0.136884 0.789294 H\n0.586366 0.910215 0.924210 H\n0.891858 0.899404 0.945495 H\n0.405806 0.740190 0.105008 H\n0.039649 0.667209 0.191899 H\n0.433062 0.482068 0.395483 H\n0.391858 0.100596 0.554505 H\n0.086366 0.089785 0.575790 H\n0.622358 0.506003 0.310858 H\n0.830628 0.469711 0.342449 H\n0.790902 0.863116 0.710706 H\n0.330628 0.530289 0.157551 H\n0.122358 0.493997 0.189142 H\n0.933062 0.517932 0.104517 H\n0.539649 0.332791 0.308101 H\n0.905806 0.259810 0.394992 H\n0.667760 0.893780 0.516588 O\n0.758110 0.647375 0.717941 O\n0.156378 0.496481 0.921676 O\n0.526431 0.268435 0.185135 O\n0.437909 0.601978 0.636239 O\n0.134421 0.640360 0.580475 O\n0.860885 0.694484 0.515294 O\n0.360885 0.305516 0.984706 O\n0.634421 0.359640 0.919525 O\n0.937909 0.398022 0.863761 O\n0.960061 0.034052 0.359819 O\n0.186658 0.987903 0.307184 O\n0.656378 0.503519 0.578324 O\n0.014788 0.100899 0.142523 O\n0.258110 0.352625 0.782059 O\n0.514788 0.899101 0.357477 O\n0.686658 0.012097 0.192816 O\n0.167760 0.106220 0.983412 O\n0.460061 0.965948 0.140181 O\n0.973569 0.268435 0.685135 O\n0.026431 0.731565 0.314865 O\n0.539939 0.034052 0.859819 O\n0.832240 0.893780 0.016588 O\n0.313342 0.987903 0.807184 O\n0.485212 0.100899 0.642523 O\n0.741890 0.647375 0.217941 O\n0.985212 0.899101 0.857477 O\n0.343622 0.496481 0.421676 O\n0.813342 0.012097 0.692816 O\n0.039939 0.965948 0.640181 O\n0.062091 0.601978 0.136239 O\n0.365579 0.640360 0.080475 O\n0.639115 0.694484 0.015294 O\n0.139115 0.305516 0.484706 O\n0.865579 0.359640 0.419525 O\n0.562091 0.398022 0.363761 O\n0.473569 0.731565 0.814865 O\n0.843622 0.503519 0.078324 O\n0.241890 0.352625 0.282059 O\n0.332240 0.106220 0.483412 O\n",
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"formula_full": "Li4 V2 P8 H32 O40",
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{
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],
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"formula_full": "H84 Os4 C36 N4 O28",
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"updated_at": "2021-11-28T01:35:28.640000Z",
"spacegroup": 14
},
{
"id": "mp-20962",
"created_at": "2022-09-04T14:39:43.036773Z",
"structure_string": "Ni23 B6\n1.0\n0.000000 5.206923 5.206923\n5.206923 0.000000 5.206923\n5.206923 5.206923 0.000000\nNi B\n23 6\ndirect\n0.000000 0.000000 0.338549 Ni\n0.000000 0.000000 0.661451 Ni\n0.000000 0.338549 0.000000 Ni\n0.661451 0.000000 0.338549 Ni\n0.338549 0.000000 0.000000 Ni\n0.000000 0.661451 0.000000 Ni\n0.338549 0.000000 0.661451 Ni\n0.000000 0.661451 0.338549 Ni\n0.338549 0.661451 0.000000 Ni\n0.618442 0.144674 0.618442 Ni\n0.381558 0.381558 0.855326 Ni\n0.855326 0.381558 0.381558 Ni\n0.381558 0.381558 0.381558 Ni\n0.144674 0.618442 0.618442 Ni\n0.618442 0.618442 0.618442 Ni\n0.618442 0.618442 0.144674 Ni\n0.381558 0.855326 0.381558 Ni\n0.661451 0.000000 0.000000 Ni\n0.000000 0.338549 0.661451 Ni\n0.661451 0.338549 0.000000 Ni\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.000000 0.000000 0.000000 Ni\n0.726410 0.726410 0.273590 B\n0.726410 0.273590 0.726410 B\n0.273590 0.726410 0.273590 B\n0.726410 0.273590 0.273590 B\n0.273590 0.726410 0.726410 B\n0.273590 0.273590 0.726410 B\n",
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}
]
}