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{
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{
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{
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"structure_string": "Fe8 Si4 Sn14 O32\n1.0\n6.941842 0.000624 -0.000472\n3.470802 6.012931 9.403921\n-3.472125 -6.013765 9.404935\nFe Si Sn O\n8 4 14 32\ndirect\n0.500157 0.249959 0.250356 Fe\n0.499983 0.000142 0.500015 Fe\n0.000011 0.000114 0.500098 Fe\n0.999997 0.000124 0.999994 Fe\n0.000028 0.499921 0.499996 Fe\n0.500214 0.749982 0.750182 Fe\n0.499498 0.500270 0.999868 Fe\n0.999828 0.500300 0.999750 Fe\n0.666571 0.452233 0.785594 Si\n0.666706 0.952179 0.285722 Si\n0.333216 0.547842 0.214213 Si\n0.333559 0.047595 0.714430 Si\n0.999813 0.250079 0.249827 Sn\n0.000028 0.750003 0.749951 Sn\n0.834306 0.582881 0.251466 Sn\n0.834380 0.082961 0.751500 Sn\n0.331161 0.834539 0.999966 Sn\n0.331252 0.334408 0.499852 Sn\n0.834263 0.834528 0.000091 Sn\n0.834291 0.334332 0.500000 Sn\n0.165695 0.165701 0.999980 Sn\n0.165782 0.665505 0.499993 Sn\n0.668738 0.165576 0.000162 Sn\n0.668854 0.665496 0.500091 Sn\n0.165685 0.417070 0.748535 Sn\n0.165693 0.917102 0.248579 Sn\n0.666585 0.767501 0.100742 O\n0.666631 0.267517 0.600779 O\n0.333389 0.232449 0.899200 O\n0.333424 0.732482 0.399265 O\n0.332924 0.459245 0.125136 O\n0.334025 0.958418 0.625925 O\n0.666398 0.541147 0.874343 O\n0.666969 0.040740 0.374777 O\n0.537228 0.555578 0.630101 O\n0.537042 0.056308 0.130473 O\n0.925716 0.361676 0.824551 O\n0.925720 0.861563 0.324445 O\n0.463049 0.443326 0.369351 O\n0.462724 0.944674 0.870017 O\n0.537183 0.361508 0.824471 O\n0.537135 0.861475 0.324354 O\n0.462775 0.638596 0.175815 O\n0.462867 0.138256 0.675175 O\n0.074450 0.638531 0.175788 O\n0.074143 0.138080 0.675037 O\n0.691193 0.270775 0.116746 O\n0.691406 0.770779 0.616627 O\n0.845291 0.460865 0.151641 O\n0.845915 0.960464 0.652108 O\n0.154359 0.539438 0.848108 O\n0.154428 0.039338 0.348231 O\n0.154128 0.270931 0.116506 O\n0.154172 0.770801 0.616531 O\n0.308916 0.729150 0.883453 O\n0.308463 0.229297 0.383149 O\n0.845769 0.729125 0.883557 O\n0.845877 0.229128 0.383386 O\n",
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"elements": [
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],
"chemical_system": "Fe-O-Si-Sn",
"density": 5.780447332441839,
"density_atomic": 0.07387493127456322,
"volume": 785.1107134629672,
"volume_molar": 8.15180556665175,
"formula_full": "Fe8 Si4 Sn14 O32",
"formula_reduced": "Fe4Si2Sn7O16",
"formula_anonymous": "A2B4C7D16",
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"energy_uncorrected": -375.35067244,
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"total_magnetization": 5.77e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.304000Z",
"spacegroup": 164
},
{
"id": "mp-569425",
"created_at": "2022-09-04T14:43:14.314084Z",
"structure_string": "Pr46 Mg8 Ni14\n1.0\n5.016231 -8.688368 0.000000\n5.016231 8.688368 0.000000\n0.000000 0.000000 22.753260\nPr Mg Ni\n46 8 14\ndirect\n0.792811 0.207189 0.948333 Pr\n0.079054 0.539527 0.586591 Pr\n0.414377 0.207189 0.948333 Pr\n0.666667 0.333333 0.645324 Pr\n0.792811 0.585623 0.948333 Pr\n0.920946 0.460473 0.086591 Pr\n0.793252 0.206748 0.219895 Pr\n0.206748 0.793252 0.719895 Pr\n0.211871 0.423742 0.992491 Pr\n0.206748 0.413496 0.719895 Pr\n0.872103 0.744206 0.633113 Pr\n0.127897 0.872103 0.133113 Pr\n0.086197 0.543098 0.856547 Pr\n0.255794 0.127897 0.633113 Pr\n0.000000 0.000000 0.998434 Pr\n0.207189 0.414377 0.448333 Pr\n0.586504 0.793252 0.719895 Pr\n0.576258 0.788129 0.992491 Pr\n0.793252 0.586504 0.219895 Pr\n0.205122 0.794878 0.282167 Pr\n0.794878 0.205122 0.782167 Pr\n0.794878 0.589756 0.782167 Pr\n0.456902 0.543098 0.856547 Pr\n0.000000 0.000000 0.498434 Pr\n0.744206 0.872103 0.133113 Pr\n0.788129 0.211871 0.492491 Pr\n0.127897 0.255794 0.133113 Pr\n0.539527 0.460473 0.086591 Pr\n0.333333 0.666667 0.145324 Pr\n0.456902 0.913803 0.856547 Pr\n0.207189 0.792811 0.448333 Pr\n0.913803 0.456902 0.356547 Pr\n0.423742 0.211871 0.492491 Pr\n0.211871 0.788129 0.992491 Pr\n0.543098 0.086197 0.356547 Pr\n0.460473 0.920946 0.586591 Pr\n0.543098 0.456902 0.356547 Pr\n0.585623 0.792811 0.448333 Pr\n0.460473 0.539527 0.586591 Pr\n0.413496 0.206748 0.219895 Pr\n0.205122 0.410244 0.282167 Pr\n0.410244 0.205122 0.782167 Pr\n0.589756 0.794878 0.282167 Pr\n0.872103 0.127897 0.633113 Pr\n0.788129 0.576258 0.492491 Pr\n0.539527 0.079054 0.086591 Pr\n0.894499 0.788998 0.363418 Mg\n0.000000 0.000000 0.749801 Mg\n0.211002 0.105501 0.363418 Mg\n0.788998 0.894499 0.863418 Mg\n0.894499 0.105501 0.363418 Mg\n0.105501 0.211002 0.863418 Mg\n0.000000 0.000000 0.249801 Mg\n0.105501 0.894499 0.863418 Mg\n0.285397 0.142699 0.063619 Ni\n0.333333 0.666667 0.362879 Ni\n0.478746 0.521254 0.211206 Ni\n0.857301 0.714603 0.063619 Ni\n0.142699 0.285397 0.563619 Ni\n0.042508 0.521254 0.211206 Ni\n0.142699 0.857301 0.563619 Ni\n0.666667 0.333333 0.862879 Ni\n0.857301 0.142699 0.063619 Ni\n0.714603 0.857301 0.563619 Ni\n0.521254 0.042508 0.711206 Ni\n0.957492 0.478746 0.711206 Ni\n0.521254 0.478746 0.711206 Ni\n0.478746 0.957492 0.211206 Ni\n",
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"formula_full": "Pr46 Mg8 Ni14",
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"updated_at": "2021-11-28T01:36:09.200000Z",
"spacegroup": 186
},
{
"id": "mp-13510",
"created_at": "2022-09-04T14:43:14.333067Z",
"structure_string": "Ho4 In1 Ni2 Ge4\n1.0\n2.112571 7.734549 0.000000\n-2.112571 7.734549 0.000000\n0.000000 2.253708 6.663723\nHo In Ni Ge\n4 1 2 4\ndirect\n0.344244 0.344244 0.937927 Ho\n0.655756 0.655756 0.062073 Ho\n0.408230 0.408230 0.391384 Ho\n0.591770 0.591770 0.608616 Ho\n0.000000 0.000000 0.000000 In\n0.216894 0.216894 0.356772 Ni\n0.783106 0.783106 0.643228 Ni\n0.065473 0.065473 0.337317 Ge\n0.934527 0.934527 0.662683 Ge\n0.203490 0.203490 0.728952 Ge\n0.796510 0.796510 0.271048 Ge\n",
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],
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"formula_full": "Ho4 In1 Ni2 Ge4",
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"updated_at": "2021-11-28T01:36:13.883000Z",
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}
]
}