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{
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{
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{
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{
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"created_at": "2022-09-04T14:46:58.233219Z",
"structure_string": "Na1 Sr1 In1 W1 O6\n1.0\n-0.000000 -4.084374 -4.084374\n4.084374 -0.000000 -4.084374\n4.084374 -4.084374 0.000000\nNa Sr In W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 -0.000000 In\n0.500000 0.500000 0.500000 W\n0.737735 0.262265 0.262265 O\n0.262265 0.737735 0.737735 O\n0.737735 0.262265 0.737735 O\n0.262265 0.737735 0.262265 O\n0.737735 0.737735 0.262265 O\n0.262265 0.262265 0.737735 O\n",
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"formula_full": "Na1 Sr1 In1 W1 O6",
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{
"id": "mp-1209158",
"created_at": "2022-09-04T14:46:58.260429Z",
"structure_string": "Rb4 S4 O8\n1.0\n0.000000 -6.460273 0.000000\n-8.171142 0.000000 0.000000\n0.000000 0.000000 -7.465101\nRb S O\n4 4 8\ndirect\n0.750000 0.857165 0.357839 Rb\n0.250000 0.142835 0.642161 Rb\n0.250000 0.642835 0.857839 Rb\n0.750000 0.357165 0.142161 Rb\n0.750000 0.894791 0.848857 S\n0.250000 0.105209 0.151143 S\n0.250000 0.605209 0.348857 S\n0.750000 0.394791 0.651143 S\n0.945666 0.889303 0.733939 O\n0.054334 0.110697 0.266061 O\n0.054334 0.610697 0.233939 O\n0.445666 0.110697 0.266061 O\n0.945666 0.389303 0.766061 O\n0.554334 0.889303 0.733939 O\n0.554334 0.389303 0.766061 O\n0.445666 0.610697 0.233939 O\n",
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{
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"structure_string": "Na2 Nb2 O6\n1.0\n5.533985 -2.712587 0.000000\n5.533985 2.712587 0.000000\n4.204360 0.000000 4.506271\nNa Nb O\n2 2 6\ndirect\n0.641744 0.641744 0.641744 Na\n0.358256 0.358256 0.358256 Na\n0.851762 0.851762 0.851762 Nb\n0.148238 0.148238 0.148238 Nb\n0.814106 0.030785 0.439002 O\n0.439002 0.814106 0.030785 O\n0.030785 0.439002 0.814106 O\n0.185894 0.969215 0.560998 O\n0.560998 0.185894 0.969215 O\n0.969215 0.560998 0.185894 O\n",
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{
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{
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"structure_string": "Ba4 Ta10 Fe1 O30\n1.0\n-3.961289 5.182399 7.623678\n3.961289 -5.182399 7.623678\n3.961289 5.182399 -7.623678\nBa Ta Fe O\n4 10 1 30\ndirect\n0.256282 0.756282 0.500000 Ba\n0.254173 0.254173 0.000000 Ba\n0.664809 0.664809 0.000000 Ba\n0.655082 0.155082 0.500000 Ba\n0.014570 0.082787 0.437207 Ta\n0.014570 0.577363 0.931783 Ta\n0.645581 0.082787 0.068217 Ta\n0.645581 0.577363 0.562793 Ta\n0.265840 0.832635 0.932484 Ta\n0.265840 0.333356 0.433205 Ta\n0.900151 0.832635 0.566795 Ta\n0.900151 0.333356 0.067516 Ta\n0.458779 0.208444 0.749664 Ta\n0.458779 0.709115 0.250336 Ta\n0.938584 0.938584 0.000000 Fe\n0.279245 0.102562 0.176683 O\n0.263414 0.584363 0.679052 O\n0.925879 0.102562 0.823317 O\n0.905311 0.584363 0.320948 O\n0.423681 0.804390 0.119381 O\n0.423681 0.304300 0.619291 O\n0.685009 0.304300 0.880619 O\n0.685009 0.804390 0.380709 O\n0.095364 0.176117 0.350979 O\n0.095364 0.744385 0.919247 O\n0.825138 0.744385 0.649021 O\n0.825138 0.176117 0.080753 O\n0.462911 0.951120 0.992780 O\n0.462911 0.470131 0.511791 O\n0.958340 0.951120 0.488209 O\n0.958340 0.470131 0.007220 O\n0.130674 0.876024 0.745350 O\n0.130674 0.385324 0.254650 O\n0.233356 0.105032 0.610002 O\n0.233356 0.623353 0.128324 O\n0.495029 0.105032 0.871676 O\n0.495029 0.623353 0.389998 O\n0.789067 0.517044 0.727977 O\n0.789067 0.061090 0.272023 O\n0.023728 0.336058 0.687670 O\n0.976659 0.827177 0.149482 O\n0.648389 0.336058 0.312330 O\n0.677695 0.827177 0.850518 O\n0.462577 0.962577 0.500000 O\n0.455993 0.455993 0.000000 O\n",
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"density": 7.677994819817104,
"density_atomic": 0.07188207459302769,
"volume": 626.0253373984401,
"volume_molar": 8.377806002533108,
"formula_full": "Ba4 Ta10 Fe1 O30",
"formula_reduced": "Ba4Ta10FeO30",
"formula_anonymous": "AB4C10D30",
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"updated_at": "2021-11-28T01:37:48.700000Z",
"spacegroup": 44
},
{
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"created_at": "2022-09-04T14:46:58.254056Z",
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"elements": [
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"chemical_system": "As-K",
"density": 2.501741379161966,
"density_atomic": 0.027382592926850507,
"volume": 328.67595936011173,
"volume_molar": 21.992587685495916,
"formula_full": "K5 As4",
"formula_reduced": "K5As4",
"formula_anonymous": "A4B5",
"energy": -27.63818907,
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"updated_at": "2021-11-28T01:37:44.090000Z",
"spacegroup": 2
},
{
"id": "mp-1227981",
"created_at": "2022-09-04T14:46:58.255500Z",
"structure_string": "Ba1 Sr3 Co2 Cu4 S4 O4\n1.0\n3.941668 0.000000 0.000000\n0.000000 3.941668 0.000000\n0.000000 0.000000 18.955033\nBa Sr Co Cu S O\n1 3 2 4 4 4\ndirect\n0.500000 0.500000 0.096695 Ba\n0.000000 0.000000 0.593835 Sr\n0.000000 0.000000 0.407895 Sr\n0.500000 0.500000 0.903646 Sr\n0.000000 0.000000 0.993509 Co\n0.500000 0.500000 0.500401 Co\n0.500000 0.000000 0.254028 Cu\n0.000000 0.500000 0.750119 Cu\n0.000000 0.500000 0.254028 Cu\n0.500000 0.000000 0.750119 Cu\n0.500000 0.500000 0.328281 S\n0.000000 0.000000 0.823972 S\n0.000000 0.000000 0.181806 S\n0.500000 0.500000 0.674527 S\n0.000000 0.500000 0.993141 O\n0.500000 0.000000 0.500430 O\n0.500000 0.000000 0.993141 O\n0.000000 0.500000 0.500430 O\n",
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"elements": [
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"density": 5.438316078818269,
"density_atomic": 0.061120637737681574,
"volume": 294.49954493689444,
"volume_molar": 9.852876185366243,
"formula_full": "Ba1 Sr3 Co2 Cu4 S4 O4",
"formula_reduced": "BaSr3Co2Cu4(SO)4",
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"updated_at": "2021-11-28T01:37:45.087000Z",
"spacegroup": 99
}
]
}