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{
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{
"id": "mp-554821",
"created_at": "2022-09-04T14:39:42.319209Z",
"structure_string": "Tb4 I12 O36\n1.0\n6.116347 0.000000 0.000000\n0.000000 8.826712 0.000000\n0.000000 7.024013 15.236097\nTb I O\n4 12 36\ndirect\n0.285829 0.146581 0.396287 Tb\n0.214171 0.146581 0.896287 Tb\n0.785829 0.853419 0.103713 Tb\n0.714171 0.853419 0.603713 Tb\n0.143460 0.644596 0.020217 I\n0.687182 0.927824 0.857209 I\n0.312818 0.072176 0.142791 I\n0.187182 0.072176 0.642791 I\n0.406286 0.581643 0.802194 I\n0.593714 0.418357 0.197806 I\n0.812818 0.927824 0.357209 I\n0.906286 0.418357 0.697806 I\n0.856540 0.355404 0.979783 I\n0.356540 0.644596 0.520217 I\n0.093714 0.581643 0.302194 I\n0.643460 0.355404 0.479783 I\n0.416954 0.660817 0.887493 O\n0.123436 0.112555 0.529476 O\n0.528244 0.607344 0.617070 O\n0.971756 0.607344 0.117070 O\n0.606245 0.095993 0.329811 O\n0.393755 0.904007 0.670189 O\n0.444992 0.059836 0.811403 O\n0.471756 0.392656 0.382930 O\n0.916954 0.339183 0.612507 O\n0.583046 0.339183 0.112507 O\n0.426342 0.354614 0.558147 O\n0.106245 0.904007 0.170189 O\n0.880340 0.126944 0.013709 O\n0.926342 0.645386 0.941853 O\n0.623436 0.887445 0.970524 O\n0.944992 0.940164 0.688597 O\n0.555008 0.940164 0.188597 O\n0.893755 0.095993 0.829811 O\n0.073658 0.354614 0.058147 O\n0.009708 0.363088 0.366323 O\n0.028244 0.392656 0.882930 O\n0.573658 0.645386 0.441853 O\n0.509708 0.636912 0.133677 O\n0.083046 0.660817 0.387493 O\n0.322066 0.344695 0.244752 O\n0.119660 0.873056 0.986291 O\n0.055008 0.059836 0.311403 O\n0.376564 0.112555 0.029476 O\n0.619660 0.126944 0.513709 O\n0.380340 0.873056 0.486291 O\n0.822066 0.655305 0.255248 O\n0.677934 0.655305 0.755248 O\n0.990292 0.636912 0.633677 O\n0.876564 0.887445 0.470524 O\n0.490292 0.363088 0.866323 O\n0.177934 0.344695 0.744752 O\n",
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{
"id": "mp-1193565",
"created_at": "2022-09-04T14:39:47.067950Z",
"structure_string": "Zn4 As4 N4 O16\n1.0\n5.715868 0.000000 0.000000\n0.000000 9.104708 0.000000\n0.000000 0.039477 9.295185\nZn As N O\n4 4 4 16\ndirect\n0.469944 0.678258 0.900093 Zn\n0.969944 0.321742 0.099907 Zn\n0.423108 0.177631 0.581614 Zn\n0.923108 0.822369 0.418386 Zn\n0.465907 0.306846 0.907532 As\n0.965907 0.693154 0.092468 As\n0.429878 0.805631 0.564720 As\n0.929878 0.194369 0.435280 As\n0.938615 0.996221 0.809983 N\n0.438615 0.003779 0.190017 N\n0.465934 0.493022 0.317153 N\n0.965934 0.506978 0.682847 N\n0.206926 0.717049 0.475669 O\n0.706926 0.282951 0.524331 O\n0.685107 0.714023 0.525319 O\n0.185107 0.285977 0.474681 O\n0.301731 0.288440 0.062204 O\n0.801731 0.711560 0.937796 O\n0.424001 0.477580 0.831183 O\n0.924001 0.522420 0.168817 O\n0.757611 0.276663 0.940600 O\n0.257611 0.723337 0.059400 O\n0.455156 0.981001 0.493787 O\n0.955156 0.018999 0.506213 O\n0.373348 0.810730 0.745391 O\n0.873348 0.189270 0.254609 O\n0.374035 0.175618 0.787066 O\n0.874035 0.824382 0.212934 O\n",
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{
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"structure_string": "Cu12 Sb4 Se12\n1.0\n6.916201 0.000000 0.000000\n0.000000 8.046726 0.000000\n0.000000 0.000000 10.584337\nCu Sb Se\n12 4 12\ndirect\n0.066136 0.691827 0.250000 Cu\n0.566136 0.808173 0.750000 Cu\n0.933864 0.308173 0.750000 Cu\n0.433864 0.191827 0.250000 Cu\n0.253495 0.099454 0.046147 Cu\n0.753495 0.400546 0.953853 Cu\n0.246505 0.599454 0.453853 Cu\n0.746505 0.900546 0.546147 Cu\n0.746505 0.900546 0.953853 Cu\n0.246505 0.599454 0.046147 Cu\n0.753495 0.400546 0.546147 Cu\n0.253495 0.099454 0.453853 Cu\n0.109129 0.755440 0.750000 Sb\n0.609129 0.744560 0.250000 Sb\n0.390871 0.255440 0.750000 Sb\n0.890871 0.244560 0.250000 Sb\n0.348827 0.843979 0.937532 Se\n0.848827 0.656021 0.062468 Se\n0.651173 0.156021 0.437532 Se\n0.151173 0.343979 0.562468 Se\n0.141000 0.998329 0.250000 Se\n0.641000 0.501671 0.750000 Se\n0.359000 0.498329 0.250000 Se\n0.859000 0.001671 0.750000 Se\n0.651173 0.156021 0.062468 Se\n0.151173 0.343979 0.937532 Se\n0.848827 0.656021 0.437532 Se\n0.348827 0.843979 0.562468 Se\n",
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{
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{
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"structure_string": "Rh2 Cl6\n1.0\n5.274281 3.046505 0.000000\n-5.274281 3.046505 0.000000\n0.000000 2.029950 6.196888\nRh Cl\n2 6\ndirect\n0.166683 0.833317 0.000000 Rh\n0.833317 0.166683 0.000000 Rh\n0.429396 0.075621 0.211860 Cl\n0.924379 0.570604 0.788140 Cl\n0.216837 0.216837 0.787697 Cl\n0.783163 0.783163 0.212303 Cl\n0.075621 0.429396 0.211860 Cl\n0.570604 0.924379 0.788140 Cl\n",
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{
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{
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"structure_string": "Mn2 Fe8 B4 P2\n1.0\n5.499138 0.000000 0.000000\n0.000000 5.499138 0.000000\n-2.749569 -2.749569 5.107251\nMn Fe B P\n2 8 4 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.030173 0.530173 0.721681 Fe\n0.691507 0.191507 0.721681 Fe\n0.191507 0.030173 0.721681 Fe\n0.530173 0.691507 0.721681 Fe\n0.969827 0.469827 0.278319 Fe\n0.308493 0.808493 0.278319 Fe\n0.808493 0.969827 0.278319 Fe\n0.469827 0.308493 0.278319 Fe\n0.381564 0.881564 0.000000 B\n0.618436 0.118436 0.000000 B\n0.118436 0.381564 0.000000 B\n0.881564 0.618436 0.000000 B\n0.250000 0.250000 0.500000 P\n0.750000 0.750000 0.500000 P\n",
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{
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"formula_full": "V8 Pb6 O6 F38",
"formula_reduced": "V4Pb3O3F19",
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},
{
"id": "mp-552234",
"created_at": "2022-09-04T14:39:42.365628Z",
"structure_string": "Sr2 Bi2 Br2 O4\n1.0\n2.929903 -6.588139 0.000000\n2.929903 6.588139 0.000000\n0.000000 0.000000 5.735570\nSr Bi Br O\n2 2 2 4\ndirect\n0.899042 0.100958 0.750000 Sr\n0.100958 0.899042 0.250000 Sr\n0.422378 0.577622 0.250000 Bi\n0.577622 0.422378 0.750000 Bi\n0.245362 0.754638 0.750000 Br\n0.754638 0.245362 0.250000 Br\n0.733873 0.733873 0.500000 O\n0.266127 0.266127 0.000000 O\n0.266127 0.266127 0.500000 O\n0.733873 0.733873 0.000000 O\n",
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"elements": [
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],
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"density": 6.127057836314244,
"density_atomic": 0.045162442727127446,
"volume": 221.42292126270135,
"volume_molar": 13.334399993343846,
"formula_full": "Sr2 Bi2 Br2 O4",
"formula_reduced": "SrBiBrO2",
"formula_anonymous": "ABCD2",
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"updated_at": "2021-11-28T01:34:38.529000Z",
"spacegroup": 63
},
{
"id": "mp-1068331",
"created_at": "2022-09-04T14:39:39.660203Z",
"structure_string": "Y2 Ni2 Sn1\n1.0\n-2.137902 2.816744 4.151300\n2.137902 -2.816744 4.151300\n2.137902 2.816744 -4.151300\nY Ni Sn\n2 2 1\ndirect\n0.703893 0.203893 0.500000 Y\n0.296107 0.796107 0.500000 Y\n0.713636 0.500000 0.213636 Ni\n0.286364 0.500000 0.786364 Ni\n0.000000 0.000000 0.000000 Sn\n",
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],
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"volume": 99.99522967374246,
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"formula_full": "Y2 Ni2 Sn1",
"formula_reduced": "Y2Ni2Sn",
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"energy": -31.4530766,
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"updated_at": "2021-11-28T01:34:32.863000Z",
"spacegroup": 71
}
]
}