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{
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{
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 5
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{
"id": "mp-1235558",
"created_at": "2022-09-04T14:40:29.540671Z",
"structure_string": "Li1 Y3 P3 O12\n1.0\n0.004325 0.007492 -6.478086\n-3.516035 -6.089950 0.024235\n-3.386928 6.015410 -0.012117\nLi Y P O\n1 3 3 12\ndirect\n0.166667 0.301836 0.603672 Li\n0.403799 0.939620 0.529210 Y\n0.666667 0.501369 0.002739 Y\n0.929534 0.589589 0.529210 Y\n0.849932 0.036542 0.490514 P\n0.166666 0.507842 0.015684 P\n0.483401 0.453971 0.490514 P\n0.711802 0.857198 0.299905 O\n0.003038 0.467165 0.155032 O\n0.300072 0.617347 0.542824 O\n0.707627 0.151244 0.704271 O\n0.031285 0.562119 0.862404 O\n0.401634 0.225464 0.428867 O\n0.625706 0.553025 0.704271 O\n0.302048 0.300284 0.862404 O\n0.931700 0.203402 0.428867 O\n0.621531 0.442708 0.299905 O\n0.330295 0.687869 0.155032 O\n0.033262 0.925478 0.542824 O\n",
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"formula_full": "Li1 Y3 P3 O12",
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{
"id": "mp-20838",
"created_at": "2022-09-04T14:40:06.107254Z",
"structure_string": "Ca2 In8 Ir2\n1.0\n4.296955 0.000000 0.000000\n0.000000 7.594485 0.000000\n0.000000 0.000000 8.790134\nCa In Ir\n2 8 2\ndirect\n0.000000 0.401782 0.250000 Ca\n0.000000 0.598218 0.750000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.315134 0.565130 In\n0.500000 0.067313 0.250000 In\n0.000000 0.000000 0.500000 In\n0.500000 0.932687 0.750000 In\n0.500000 0.315134 0.934870 In\n0.500000 0.684866 0.065130 In\n0.500000 0.684866 0.434870 In\n0.000000 0.804813 0.250000 Ir\n0.000000 0.195187 0.750000 Ir\n",
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"volume": 286.8498518204875,
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"formula_full": "Ca2 In8 Ir2",
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"spacegroup": 51
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{
"id": "mp-978283",
"created_at": "2022-09-04T14:40:27.621761Z",
"structure_string": "Mg3 In1\n1.0\n-2.274178 2.274178 4.464399\n2.274178 -2.274178 4.464399\n2.274178 2.274178 -4.464399\nMg In\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 In\n",
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{
"id": "mp-555037",
"created_at": "2022-09-04T14:40:29.656807Z",
"structure_string": "Ta1 S2\n1.0\n6.839370 -1.687175 0.000000\n6.839370 1.687175 0.000000\n6.423167 0.000000 2.892483\nTa S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.257576 0.257576 0.257576 S\n0.742424 0.742424 0.742424 S\n",
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{
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"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n5.967655 -0.019580 -0.703091\n-2.423628 5.577961 -2.432777\n-0.007039 0.058953 7.956172\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.330663 0.702853 0.246308 K\n0.669337 0.297147 0.753692 K\n-0.000000 -0.000000 -0.000000 Mg\n0.332749 0.665350 0.760776 Mo\n0.667251 0.334650 0.239224 Mo\n0.922029 0.866548 0.284391 H\n0.077971 0.133452 0.715609 H\n0.124657 0.127560 0.376266 H\n0.875343 0.872440 0.623734 H\n0.360666 0.823122 0.620550 O\n0.639334 0.176878 0.379450 O\n0.236669 0.349891 0.616489 O\n0.763331 0.650109 0.383511 O\n0.626935 0.762488 0.921365 O\n0.373065 0.237512 0.078635 O\n0.109293 0.708886 0.890094 O\n0.890707 0.291114 0.109906 O\n0.053375 0.978513 0.257678 O\n0.946625 0.021487 0.742322 O\n",
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{
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"structure_string": "Ca1 Pr1 Hf1 Fe1 O6\n1.0\n-0.000000 -4.016594 -4.016594\n4.016594 -0.000000 -4.016594\n4.016594 -4.016594 0.000000\nCa Pr Hf Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Hf\n-0.000000 -0.000000 -0.000000 Fe\n0.753508 0.246492 0.246492 O\n0.246492 0.753508 0.753508 O\n0.753508 0.246492 0.753508 O\n0.246492 0.753508 0.246492 O\n0.753508 0.753508 0.246492 O\n0.246492 0.246492 0.753508 O\n",
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{
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"updated_at": "2021-11-28T01:34:57.240000Z",
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},
{
"id": "mp-1103017",
"created_at": "2022-09-04T14:40:31.082696Z",
"structure_string": "Ni4 Bi4 Se4\n1.0\n6.237388 0.000000 0.000000\n0.000000 6.237388 0.000000\n0.000000 0.000000 6.237388\nNi Bi Se\n4 4 4\ndirect\n0.265671 0.734329 0.234329 Ni\n0.765671 0.765671 0.765671 Ni\n0.234329 0.265671 0.734329 Ni\n0.734329 0.234329 0.265671 Ni\n0.383000 0.883000 0.617000 Bi\n0.883000 0.617000 0.383000 Bi\n0.617000 0.383000 0.883000 Bi\n0.117000 0.117000 0.117000 Bi\n0.378785 0.378785 0.378785 Se\n0.621215 0.878785 0.121215 Se\n0.878785 0.121215 0.621215 Se\n0.121215 0.621215 0.878785 Se\n",
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],
"chemical_system": "Bi-Ni-Se",
"density": 9.48793532715673,
"density_atomic": 0.049450759344582124,
"volume": 242.66563666660323,
"volume_molar": 12.178055180177516,
"formula_full": "Ni4 Bi4 Se4",
"formula_reduced": "NiBiSe",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:57.237000Z",
"spacegroup": 198
}
]
}