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{
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{
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"formula_full": "Sr4 Fe2 Sn2 O12",
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"updated_at": "2021-11-28T01:35:47.184000Z",
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{
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"created_at": "2022-09-04T14:42:43.478364Z",
"structure_string": "Sr2 Fe1 Sn1 O6\n1.0\n4.033300 0.000000 0.000000\n0.000000 4.033300 0.000000\n0.000000 0.000000 7.995448\nSr Fe Sn O\n2 1 1 6\ndirect\n0.000000 0.000000 0.734595 Sr\n0.000000 0.000000 0.265405 Sr\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Sn\n0.500000 0.500000 0.739858 O\n0.500000 0.500000 0.260142 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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"density": 5.691371406422825,
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"formula_full": "Sr2 Fe1 Sn1 O6",
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"energy": -69.39353657000001,
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{
"id": "mp-1272721",
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"formula_full": "Sr8 Fe4 Sn4 O24",
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{
"id": "mp-1274766",
"created_at": "2022-09-04T14:43:33.779358Z",
"structure_string": "Sr8 Fe4 Sn4 O24\n1.0\n-4.061620 4.038795 4.041025\n-4.063761 -4.041593 -4.040387\n4.059280 -8.058034 8.060137\nSr Fe Sn O\n8 4 4 24\ndirect\n0.500419 0.500449 0.000793 Sr\n0.748569 0.748530 0.499127 Sr\n0.000394 0.000334 0.000829 Sr\n0.250624 0.250611 0.499175 Sr\n0.874987 0.374957 0.249931 Sr\n0.125043 0.625135 0.750095 Sr\n0.374918 0.874946 0.249908 Sr\n0.625044 0.125005 0.750084 Sr\n0.374846 0.374850 0.249629 Fe\n0.625113 0.625128 0.750329 Fe\n0.874937 0.874886 0.249756 Fe\n0.125203 0.125359 0.750391 Fe\n0.499891 0.999951 0.999897 Sn\n0.750170 0.249930 0.500113 Sn\n0.000008 0.499960 0.999911 Sn\n0.249929 0.750180 0.500112 Sn\n0.749999 0.249919 0.999910 O\n0.000040 0.500025 0.500063 O\n0.249926 0.749988 0.999899 O\n0.500042 0.000020 0.500071 O\n0.618371 0.618339 0.250191 O\n0.868091 0.868068 0.749753 O\n0.131872 0.131876 0.250258 O\n0.381653 0.381684 0.749788 O\n0.558540 0.314205 0.372883 O\n0.808288 0.563730 0.872016 O\n0.059568 0.813652 0.372979 O\n0.310178 0.063363 0.873354 O\n0.690121 0.936564 0.126731 O\n0.940280 0.186382 0.626960 O\n0.191610 0.436056 0.127779 O\n0.441491 0.685885 0.627239 O\n0.436064 0.191666 0.127803 O\n0.685863 0.441492 0.627241 O\n0.936551 0.690098 0.126719 O\n0.186336 0.940325 0.627002 O\n0.813678 0.059512 0.372998 O\n0.063347 0.310152 0.873376 O\n0.314241 0.558505 0.372882 O\n0.563755 0.808282 0.872025 O\n",
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{
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"structure_string": "Sr3 Fe2 Te1 O9\n1.0\n3.991181 0.000013 3.991185\n0.000034 3.991133 3.991165\n-4.012255 -4.012248 4.012246\nSr Fe Te O\n3 2 1 9\ndirect\n0.333337 0.333321 0.333351 Sr\n0.666662 0.666673 0.654515 Sr\n0.999995 0.000010 0.012198 Sr\n0.999998 0.000002 0.483774 Fe\n0.666677 0.666650 0.182804 Fe\n0.333335 0.333336 0.833321 Te\n0.833312 0.833304 0.333305 O\n0.833304 0.333388 0.333311 O\n0.333386 0.833310 0.333307 O\n0.170658 0.170653 0.672441 O\n0.495988 0.495998 0.994264 O\n0.170656 0.658681 0.672442 O\n0.495992 0.008016 0.994267 O\n0.658681 0.170660 0.672441 O\n0.008018 0.495998 0.994260 O\n",
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{
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"structure_string": "Sr2 Fe1 W1 O6\n1.0\n0.000000 4.017852 4.017852\n4.017852 0.000000 4.017852\n4.017852 4.017852 0.000000\nSr Fe W O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 W\n0.244836 0.755164 0.244836 O\n0.755164 0.244836 0.755164 O\n0.244836 0.244836 0.755164 O\n0.755164 0.755164 0.244836 O\n0.244836 0.755164 0.755164 O\n0.755164 0.244836 0.244836 O\n",
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{
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"structure_string": "Sr4 Fe2 W2 O12\n1.0\n4.949621 0.064376 2.919164\n-1.631009 4.627070 -2.828816\n-6.482713 4.696345 5.747060\nSr Fe W O\n4 2 2 12\ndirect\n0.627959 0.374135 0.876809 Sr\n0.121954 0.875972 0.373537 Sr\n0.377936 0.624029 0.126425 Sr\n0.872100 0.125845 0.623225 Sr\n0.750043 0.250069 0.249987 Fe\n0.250072 0.749974 0.750021 Fe\n0.497002 0.502184 0.501303 W\n0.003019 0.997808 0.998698 W\n0.359005 0.113839 0.116733 O\n0.852988 0.626165 0.618598 O\n0.647049 0.873877 0.881392 O\n0.140947 0.386093 0.383300 O\n0.858141 0.658757 0.143817 O\n0.356227 0.173426 0.645438 O\n0.143810 0.326595 0.854596 O\n0.641776 0.841227 0.356145 O\n0.400205 0.699459 0.595069 O\n0.909677 0.186422 0.095283 O\n0.590279 0.313512 0.404727 O\n0.099811 0.800615 0.904896 O\n",
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{
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"structure_string": "Sr4 Fe2 W2 O12\n1.0\n0.049216 0.044415 5.762457\n4.881004 0.020760 -2.832254\n-3.174893 9.321916 0.055052\nSr Fe W O\n4 2 2 12\ndirect\n0.373956 0.751510 0.121699 Sr\n0.877058 0.750340 0.628884 Sr\n0.126091 0.248552 0.378352 Sr\n0.622864 0.249576 0.871118 Sr\n0.249971 0.499984 0.750023 Fe\n0.750111 0.500123 0.249831 Fe\n0.999167 0.007442 0.001413 W\n0.500866 0.992544 0.498539 W\n0.353597 0.245426 0.120427 O\n0.855521 0.224451 0.618433 O\n0.146430 0.754502 0.379540 O\n0.644410 0.775563 0.881663 O\n0.596780 0.704205 0.408260 O\n0.089219 0.719881 0.903875 O\n0.903311 0.295804 0.091751 O\n0.410649 0.280024 0.596160 O\n0.855875 0.815874 0.145098 O\n0.350417 0.796804 0.642436 O\n0.644186 0.184249 0.354928 O\n0.149519 0.203149 0.857571 O\n",
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{
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"structure_string": "Sr4 Fe2 W2 O12\n1.0\n5.742706 -0.005573 -0.008057\n-0.005443 5.758747 -0.009541\n-0.011427 -0.010996 8.010450\nSr Fe W O\n4 2 2 12\ndirect\n0.973039 0.004048 0.752285 Sr\n0.471731 0.495151 0.749559 Sr\n0.528291 0.504812 0.250443 Sr\n0.026965 0.995943 0.247713 Sr\n0.000005 0.499984 0.499981 Fe\n0.499898 0.000212 0.000014 Fe\n0.000020 0.499978 0.999943 W\n0.500060 0.000030 0.500006 W\n0.709266 0.264572 0.534073 O\n0.207844 0.235285 0.966048 O\n0.290726 0.735386 0.465916 O\n0.792147 0.764700 0.033973 O\n0.767304 0.795332 0.467130 O\n0.267957 0.704934 0.033763 O\n0.232694 0.204646 0.532866 O\n0.732043 0.295044 0.966261 O\n0.509248 0.936709 0.740503 O\n0.008662 0.564090 0.760406 O\n0.490744 0.063259 0.259504 O\n0.991356 0.435885 0.239613 O\n",
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"volume_molar": 7.976642821711448,
"formula_full": "Sr4 Fe2 W2 O12",
"formula_reduced": "Sr2FeWO6",
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"updated_at": "2021-11-28T01:37:16.095000Z",
"spacegroup": 14
},
{
"id": "mp-1278360",
"created_at": "2022-09-04T14:43:49.459431Z",
"structure_string": "Sr4 Fe2 W2 O12\n1.0\n4.928088 0.035277 2.879427\n-1.603819 4.659358 2.879693\n-3.284758 -4.636994 5.671979\nSr Fe W O\n4 2 2 12\ndirect\n0.499435 0.998592 0.741672 Sr\n0.999004 0.499743 0.258750 Sr\n0.001063 0.500259 0.741274 Sr\n0.500629 0.001395 0.258348 Sr\n0.499407 0.499820 0.999869 Fe\n0.000034 0.999998 0.499984 Fe\n0.000069 0.000056 0.000015 W\n0.500068 0.500038 0.500027 W\n0.242561 0.241120 0.000212 O\n0.750602 0.747305 0.500256 O\n0.249425 0.252708 0.499771 O\n0.757469 0.758871 0.999789 O\n0.459246 0.540474 0.754301 O\n0.955806 0.044007 0.235068 O\n0.044250 0.956039 0.764913 O\n0.540808 0.459541 0.245732 O\n0.263952 0.739010 0.460717 O\n0.757331 0.243863 0.955820 O\n0.242700 0.756137 0.044182 O\n0.736142 0.261019 0.539298 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"W",
"O"
],
"chemical_system": "Fe-O-Sr-W",
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"formula_full": "Sr4 Fe2 W2 O12",
"formula_reduced": "Sr2FeWO6",
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"updated_at": "2021-11-28T01:36:22.522000Z",
"spacegroup": 12
},
{
"id": "mp-1274143",
"created_at": "2022-09-04T14:40:37.176893Z",
"structure_string": "Sr2 Fe1 W1 O6\n1.0\n4.923678 -0.048335 -2.800675\n-1.682608 4.636872 -2.805625\n0.061270 0.079514 5.715565\nSr Fe W O\n2 1 1 6\ndirect\n0.750105 0.250006 0.500264 Sr\n0.249935 0.749987 0.499753 Sr\n0.499976 0.500053 0.999909 Fe\n0.999955 0.999980 0.999910 W\n0.237085 0.236172 0.474364 O\n0.762921 0.763784 0.525694 O\n0.710596 0.804383 0.999394 O\n0.289441 0.195663 0.000660 O\n0.811018 0.283121 0.000904 O\n0.188968 0.716850 0.999148 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"W",
"O"
],
"chemical_system": "Fe-O-Sr-W",
"density": 6.412674768645109,
"density_atomic": 0.07558507065514744,
"volume": 132.30125887722494,
"volume_molar": 7.967368036838481,
"formula_full": "Sr2 Fe1 W1 O6",
"formula_reduced": "Sr2FeWO6",
"formula_anonymous": "ABC2D6",
"energy": -81.09602552,
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"energy_uncorrected": -70.28002552,
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"updated_at": "2021-11-28T01:35:06.556000Z",
"spacegroup": 87
}
]
}