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{
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{
"id": "mp-505440",
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"structure_string": "Sr8 Fe12 O26\n1.0\n-2.730236 5.571804 9.941607\n2.730236 -5.571804 9.941607\n2.730236 5.571804 -9.941607\nSr Fe O\n8 12 26\ndirect\n0.216442 0.853270 0.380881 Sr\n0.783558 0.164439 0.636829 Sr\n0.472389 0.353270 0.136829 Sr\n0.527611 0.664439 0.880881 Sr\n0.035681 0.665120 0.374324 Sr\n0.964319 0.338643 0.629439 Sr\n0.290796 0.165120 0.129439 Sr\n0.709204 0.838643 0.874324 Sr\n0.663071 0.610149 0.204903 Fe\n0.336929 0.541832 0.947078 Fe\n0.405246 0.110149 0.447078 Fe\n0.594754 0.041832 0.704903 Fe\n0.055608 0.963559 0.115543 Fe\n0.944392 0.059935 0.907951 Fe\n0.848016 0.463559 0.407951 Fe\n0.151984 0.559935 0.615543 Fe\n0.875093 0.754671 0.126052 Fe\n0.124907 0.250960 0.879578 Fe\n0.628618 0.254671 0.379578 Fe\n0.371382 0.750960 0.626052 Fe\n0.758621 0.628854 0.135838 O\n0.241379 0.377217 0.870233 O\n0.493015 0.128854 0.370233 O\n0.506985 0.877217 0.635838 O\n0.969764 0.842972 0.101589 O\n0.030236 0.131825 0.873207 O\n0.741383 0.342972 0.373207 O\n0.258617 0.631825 0.601589 O\n0.742874 0.997602 0.259539 O\n0.257126 0.516665 0.254729 O\n0.738064 0.497602 0.754729 O\n0.261936 0.016665 0.759539 O\n0.003218 0.003964 0.502533 O\n0.996782 0.499315 0.000746 O\n0.501431 0.503964 0.500746 O\n0.498569 0.999315 0.002533 O\n0.758668 0.944593 0.630896 O\n0.241332 0.872228 0.185925 O\n0.313697 0.444593 0.685925 O\n0.686303 0.372228 0.130896 O\n0.970078 0.423054 0.300443 O\n0.029922 0.330365 0.452976 O\n0.122610 0.923054 0.952976 O\n0.877390 0.830365 0.800443 O\n0.500000 0.800618 0.300618 O\n0.500000 0.300618 0.800618 O\n",
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],
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"volume": 604.9404179826385,
"volume_molar": 7.919644235879748,
"formula_full": "Sr8 Fe12 O26",
"formula_reduced": "Sr4Fe6O13",
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"updated_at": "2021-11-28T01:38:21.182000Z",
"spacegroup": 45
},
{
"id": "mp-1192004",
"created_at": "2022-09-04T14:44:13.308660Z",
"structure_string": "La6 Zn4 Pd13\n1.0\n-4.892761 4.892761 4.892761\n4.892761 -4.892761 4.892761\n4.892761 4.892761 -4.892761\nLa Zn Pd\n6 4 13\ndirect\n0.695674 0.695674 0.000000 La\n0.304326 0.000000 0.304326 La\n0.000000 0.304326 0.304326 La\n0.304326 0.304326 0.000000 La\n0.695674 0.000000 0.695674 La\n0.000000 0.695674 0.695674 La\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.329950 0.329950 0.659901 Pd\n0.670050 0.000000 0.329950 Pd\n0.000000 0.670050 0.329950 Pd\n0.670050 0.329950 0.000000 Pd\n0.329950 0.659901 0.329950 Pd\n0.000000 0.329950 0.670050 Pd\n0.329950 0.670050 0.000000 Pd\n0.329950 0.000000 0.670050 Pd\n0.659901 0.329950 0.329950 Pd\n0.670050 0.670050 0.340099 Pd\n0.670050 0.340099 0.670050 Pd\n0.340099 0.670050 0.670050 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 23,
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"elements": [
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],
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"density": 8.784581437474149,
"density_atomic": 0.049091447599386315,
"volume": 468.51337910613006,
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"formula_full": "La6 Zn4 Pd13",
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"updated_at": "2021-11-28T01:36:32.345000Z",
"spacegroup": 229
},
{
"id": "mp-626549",
"created_at": "2022-09-04T14:42:17.427366Z",
"structure_string": "V6 H4 O13\n1.0\n2.041944 6.249347 0.000000\n-2.041944 6.249347 0.000000\n0.000000 1.952492 9.927491\nV H O\n6 4 13\ndirect\n0.356698 0.356698 0.998135 V\n0.643302 0.643302 0.001865 V\n0.405343 0.405343 0.626883 V\n0.594657 0.594657 0.373117 V\n0.711063 0.711063 0.625609 V\n0.288937 0.288937 0.374391 V\n0.194146 0.194146 0.878532 H\n0.805854 0.805854 0.121468 H\n0.905599 0.905599 0.499643 H\n0.094401 0.094401 0.500358 H\n0.183163 0.183163 0.977263 O\n0.816837 0.816837 0.022737 O\n0.885620 0.885620 0.598716 O\n0.114380 0.114380 0.401284 O\n0.245511 0.245511 0.591730 O\n0.754489 0.754489 0.408270 O\n0.500000 0.500000 0.000000 O\n0.381033 0.381033 0.798835 O\n0.618967 0.618967 0.201165 O\n0.685294 0.685294 0.796987 O\n0.314706 0.314706 0.203013 O\n0.567671 0.567671 0.578393 O\n0.432329 0.432329 0.421607 O\n",
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"elements": [
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"formula_full": "V6 H4 O13",
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},
{
"id": "mp-569508",
"created_at": "2022-09-04T14:42:16.141603Z",
"structure_string": "Pr6 Cd4 Pd13\n1.0\n-4.960990 4.960990 4.960990\n4.960990 -4.960990 4.960990\n4.960990 4.960990 -4.960990\nPr Cd Pd\n6 4 13\ndirect\n0.000000 0.302169 0.302169 Pr\n0.000000 0.697831 0.697831 Pr\n0.302169 0.000000 0.302169 Pr\n0.697831 0.697831 0.000000 Pr\n0.697831 0.000000 0.697831 Pr\n0.302169 0.302169 0.000000 Pr\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.340799 0.659201 0.000000 Pd\n0.000000 0.340799 0.659201 Pd\n0.659201 0.000000 0.340799 Pd\n0.318401 0.659201 0.659201 Pd\n0.659201 0.318401 0.659201 Pd\n0.681599 0.340799 0.340799 Pd\n0.340799 0.681599 0.340799 Pd\n0.340799 0.340799 0.681599 Pd\n0.000000 0.659201 0.340799 Pd\n0.659201 0.659201 0.318401 Pd\n0.340799 0.000000 0.659201 Pd\n0.000000 0.000000 0.000000 Pd\n0.659201 0.340799 0.000000 Pd\n",
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"elements": [
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],
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"spacegroup": 229
},
{
"id": "mp-684021",
"created_at": "2022-09-04T14:42:56.640697Z",
"structure_string": "Sn8 Sb12 S26\n1.0\n1.916712 16.878150 0.000000\n-1.916712 16.878150 0.000000\n0.000000 16.652407 18.568797\nSn Sb S\n8 12 26\ndirect\n0.198276 0.198276 0.101514 Sn\n0.646282 0.646282 0.836768 Sn\n0.429044 0.429044 0.696547 Sn\n0.547782 0.547782 0.511337 Sn\n0.452218 0.452218 0.488663 Sn\n0.570956 0.570956 0.303453 Sn\n0.801724 0.801724 0.898486 Sn\n0.353718 0.353718 0.163232 Sn\n0.327939 0.327939 0.332021 Sb\n0.672061 0.672061 0.667979 Sb\n0.821324 0.821324 0.693006 Sb\n0.488642 0.488642 0.096374 Sb\n0.511358 0.511358 0.903626 Sb\n0.178676 0.178676 0.306994 Sb\n0.867597 0.867597 0.992959 Sb\n0.027362 0.027362 0.751151 Sb\n0.972638 0.972638 0.248849 Sb\n0.855906 0.855906 0.477701 Sb\n0.144094 0.144094 0.522299 Sb\n0.132403 0.132403 0.007041 Sb\n0.923635 0.923635 0.202820 S\n0.210769 0.210769 0.757555 S\n0.686353 0.686353 0.041882 S\n0.789231 0.789231 0.242445 S\n0.313647 0.313647 0.958118 S\n0.679873 0.679873 0.911009 S\n0.057740 0.057740 0.000730 S\n0.080264 0.080264 0.405651 S\n0.087866 0.087866 0.218123 S\n0.463381 0.463381 0.856321 S\n0.047488 0.047488 0.595628 S\n0.653545 0.653545 0.441231 S\n0.919736 0.919736 0.594349 S\n0.396025 0.396025 0.346095 S\n0.603975 0.603975 0.653905 S\n0.942260 0.942260 0.999270 S\n0.321766 0.321766 0.763191 S\n0.912134 0.912134 0.781877 S\n0.320127 0.320127 0.088991 S\n0.223450 0.223450 0.577686 S\n0.678234 0.678234 0.236809 S\n0.952512 0.952512 0.404372 S\n0.776550 0.776550 0.422314 S\n0.536619 0.536619 0.143679 S\n0.076365 0.076365 0.797180 S\n0.346455 0.346455 0.558769 S\n",
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"elements": [
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],
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"density": 4.484355861288815,
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"formula_full": "Sn8 Sb12 S26",
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"spacegroup": 12
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{
"id": "mp-652494",
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"structure_string": "Cs8 Re12 S26\n1.0\n8.671217 5.063493 0.000000\n-8.671217 5.063493 0.000000\n0.000000 2.596131 13.673683\nCs Re S\n8 12 26\ndirect\n0.095384 0.343720 0.586715 Cs\n0.904616 0.656280 0.413285 Cs\n0.656280 0.904616 0.913285 Cs\n0.343720 0.095384 0.086715 Cs\n0.725747 0.683678 0.715440 Cs\n0.683678 0.725747 0.215440 Cs\n0.316322 0.274253 0.784560 Cs\n0.274253 0.316322 0.284560 Cs\n0.996339 0.310512 0.022903 Re\n0.689488 0.003661 0.477097 Re\n0.154512 0.564915 0.890665 Re\n0.415024 0.848373 0.421343 Re\n0.564915 0.154512 0.390665 Re\n0.435085 0.845488 0.609335 Re\n0.845488 0.435085 0.109335 Re\n0.151627 0.584976 0.078657 Re\n0.848373 0.415024 0.921343 Re\n0.310512 0.996339 0.522903 Re\n0.584976 0.151627 0.578657 Re\n0.003661 0.689488 0.977097 Re\n0.724670 0.357721 0.674347 S\n0.639263 0.360737 0.250000 S\n0.952107 0.020194 0.437723 S\n0.278768 0.464375 0.994893 S\n0.004724 0.692453 0.150749 S\n0.535625 0.721232 0.505107 S\n0.357721 0.724670 0.174347 S\n0.995276 0.307547 0.849251 S\n0.692453 0.004724 0.650749 S\n0.464375 0.278768 0.494893 S\n0.020194 0.952107 0.937723 S\n0.809683 0.282425 0.448927 S\n0.190317 0.717575 0.551073 S\n0.275330 0.642279 0.325653 S\n0.307547 0.995276 0.349251 S\n0.047893 0.979806 0.562277 S\n0.642279 0.275330 0.825653 S\n0.991713 0.345460 0.193053 S\n0.345460 0.991713 0.693053 S\n0.721232 0.535625 0.005107 S\n0.360737 0.639263 0.750000 S\n0.008287 0.654540 0.806947 S\n0.654540 0.008287 0.306947 S\n0.717575 0.190317 0.051073 S\n0.979806 0.047893 0.062277 S\n0.282425 0.809683 0.948927 S\n",
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{
"id": "mp-7531",
"created_at": "2022-09-04T14:47:14.941952Z",
"structure_string": "Ca4 Al6 O13\n1.0\n-4.437452 4.437452 4.437452\n4.437452 -4.437452 4.437452\n4.437452 4.437452 -4.437452\nCa Al O\n4 6 13\ndirect\n0.000000 0.692218 0.000000 Ca\n0.692218 0.000000 0.000000 Ca\n0.000000 0.000000 0.692218 Ca\n0.307782 0.307782 0.307782 Ca\n0.750000 0.250000 0.500000 Al\n0.750000 0.500000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.500000 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 O\n0.549193 0.278963 0.549193 O\n0.721037 0.270230 0.270230 O\n0.270230 0.270230 0.721037 O\n0.729770 0.450807 0.000000 O\n0.000000 0.450807 0.729770 O\n0.000000 0.729770 0.450807 O\n0.278963 0.549193 0.549193 O\n0.549193 0.549193 0.278963 O\n0.450807 0.729770 0.000000 O\n0.270230 0.721037 0.270230 O\n0.450807 0.000000 0.729770 O\n0.729770 0.000000 0.450807 O\n",
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"formula_full": "Ca4 Al6 O13",
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{
"id": "mp-680193",
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.716000Z",
"spacegroup": 139
}
]
}