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{
"id": "mp-29351",
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"structure_string": "Ba4 Mo24 O40\n1.0\n9.093016 0.000000 0.000000\n0.000000 9.615423 0.000000\n0.000000 0.000000 10.731468\nBa Mo O\n4 24 40\ndirect\n0.250000 0.014212 0.910211 Ba\n0.750000 0.985788 0.089789 Ba\n0.750000 0.514212 0.589789 Ba\n0.250000 0.485788 0.410211 Ba\n0.598044 0.889331 0.707922 Mo\n0.098044 0.110669 0.292078 Mo\n0.401956 0.389331 0.792078 Mo\n0.901956 0.610669 0.207922 Mo\n0.401956 0.110669 0.292078 Mo\n0.901956 0.889331 0.707922 Mo\n0.598044 0.610669 0.207922 Mo\n0.098044 0.389331 0.792078 Mo\n0.250000 0.857718 0.217078 Mo\n0.750000 0.142282 0.782922 Mo\n0.750000 0.357718 0.282922 Mo\n0.250000 0.642282 0.717078 Mo\n0.592196 0.140692 0.548878 Mo\n0.092196 0.859308 0.451122 Mo\n0.407804 0.640692 0.951122 Mo\n0.907804 0.359308 0.048878 Mo\n0.407804 0.859308 0.451122 Mo\n0.907804 0.140692 0.548878 Mo\n0.592196 0.359308 0.048878 Mo\n0.092196 0.640692 0.951122 Mo\n0.250000 0.131577 0.559384 Mo\n0.750000 0.868423 0.440616 Mo\n0.750000 0.631577 0.940616 Mo\n0.250000 0.368423 0.059384 Mo\n0.595399 0.009493 0.856743 O\n0.095399 0.990507 0.143257 O\n0.404601 0.509493 0.643257 O\n0.904601 0.490507 0.356743 O\n0.404601 0.990507 0.143257 O\n0.904601 0.009493 0.856743 O\n0.595399 0.490507 0.356743 O\n0.095399 0.509493 0.643257 O\n0.250000 0.735904 0.534720 O\n0.750000 0.264096 0.465280 O\n0.750000 0.235904 0.965280 O\n0.250000 0.764096 0.034720 O\n0.571238 0.003245 0.381890 O\n0.071238 0.996755 0.618110 O\n0.428762 0.503245 0.118110 O\n0.928762 0.496755 0.881890 O\n0.584855 0.232479 0.212155 O\n0.428762 0.996755 0.618110 O\n0.571238 0.496755 0.881890 O\n0.071238 0.503245 0.118110 O\n0.250000 0.253495 0.724400 O\n0.750000 0.746505 0.275600 O\n0.750000 0.753495 0.775600 O\n0.250000 0.246505 0.224400 O\n0.415145 0.767521 0.787845 O\n0.915145 0.232479 0.212155 O\n0.584855 0.267521 0.712155 O\n0.084855 0.732479 0.287845 O\n0.086179 0.265675 0.957120 O\n0.586179 0.734325 0.042880 O\n0.913821 0.765675 0.542880 O\n0.413821 0.234325 0.457120 O\n0.913821 0.734325 0.042880 O\n0.413821 0.265675 0.957120 O\n0.086179 0.234325 0.457120 O\n0.586179 0.765675 0.542880 O\n0.915145 0.267521 0.712155 O\n0.415145 0.732479 0.287845 O\n0.084855 0.767521 0.787845 O\n0.928762 0.003245 0.381890 O\n",
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{
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{
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"created_at": "2022-09-04T14:47:08.196901Z",
"structure_string": "V4 Ge1 S8\n1.0\n0.000000 4.849025 4.849025\n4.849025 0.000000 4.849025\n4.849025 4.849025 0.000000\nV Ge S\n4 1 8\ndirect\n0.437775 0.854075 0.854075 V\n0.854075 0.437775 0.854075 V\n0.854075 0.854075 0.854075 V\n0.854075 0.854075 0.437775 V\n0.250000 0.250000 0.250000 Ge\n0.620416 0.620416 0.138751 S\n0.620416 0.620416 0.620416 S\n0.113343 0.113343 0.659971 S\n0.113343 0.113343 0.113343 S\n0.620416 0.138751 0.620416 S\n0.138751 0.620416 0.620416 S\n0.113343 0.659971 0.113343 S\n0.659971 0.113343 0.113343 S\n",
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"formula_full": "V4 Ge1 S8",
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"formula_anonymous": "AB4C8",
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{
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"created_at": "2022-09-04T14:47:08.196191Z",
"structure_string": "Mg12 Al2 Mo2\n1.0\n4.958444 0.000000 0.000000\n0.000000 5.903563 0.000000\n0.000000 0.000000 10.765315\nMg Al Mo\n12 2 2\ndirect\n0.500000 0.251182 0.419510 Mg\n0.500000 0.748818 0.419510 Mg\n0.000000 0.740410 0.085672 Mg\n0.000000 0.259590 0.085672 Mg\n0.000000 0.000000 0.328563 Mg\n0.000000 0.500000 0.322297 Mg\n0.500000 0.751182 0.919510 Mg\n0.500000 0.248818 0.919510 Mg\n0.000000 0.240410 0.585672 Mg\n0.000000 0.759590 0.585672 Mg\n0.000000 0.500000 0.828563 Mg\n0.000000 0.000000 0.822297 Mg\n0.500000 0.000000 0.167548 Al\n0.500000 0.500000 0.667548 Al\n0.500000 0.500000 0.171224 Mo\n0.500000 0.000000 0.671224 Mo\n",
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{
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"structure_string": "Sr4 V2 Mo2 O12\n1.0\n4.007783 -3.995149 3.989195\n-4.007714 3.995426 3.989390\n-4.007562 -3.994993 3.989124\nSr V Mo O\n4 2 2 12\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.249849 0.999968 0.750160 O\n0.750151 0.000032 0.249840 O\n0.759069 0.500012 0.740887 O\n0.240931 0.499988 0.259114 O\n0.237348 0.237344 0.000032 O\n0.748916 0.248950 0.500002 O\n0.762652 0.762656 0.999968 O\n0.251084 0.751050 0.499998 O\n0.500013 0.237637 0.262351 O\n0.000063 0.249108 0.750898 O\n0.499986 0.762364 0.737649 O\n0.999937 0.750892 0.249102 O\n",
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{
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"structure_string": "Lu4 Ni4 Ge8\n1.0\n-2.062537 4.228893 7.892403\n2.062537 -4.228893 7.892403\n2.062537 4.228893 -7.892403\nLu Ni Ge\n4 4 8\ndirect\n0.238190 0.500000 0.738190 Lu\n0.761810 0.500000 0.261810 Lu\n0.796673 0.296673 0.500000 Lu\n0.203327 0.703327 0.500000 Lu\n0.898797 0.147310 0.751486 Ni\n0.101203 0.852690 0.248514 Ni\n0.395824 0.147310 0.248514 Ni\n0.604176 0.852690 0.751486 Ni\n0.145672 0.303254 0.842418 Ge\n0.579382 0.079382 0.500000 Ge\n0.077101 0.077101 0.000000 Ge\n0.854328 0.696746 0.157582 Ge\n0.922899 0.922899 0.000000 Ge\n0.460837 0.303254 0.157582 Ge\n0.420618 0.920618 0.500000 Ge\n0.539163 0.696746 0.842418 Ge\n",
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{
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"structure_string": "Er1 Al1 Ni4\n1.0\n2.490413 -4.215084 0.000000\n2.490413 4.215084 0.000000\n0.000000 0.000000 4.021612\nEr Al Ni\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Er\n0.000000 0.000000 0.500000 Al\n0.166498 0.833502 0.000000 Ni\n0.833502 0.166498 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n",
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"formula_full": "Er1 Al1 Ni4",
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"updated_at": "2021-11-28T01:37:52.423000Z",
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}
]
}