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{
"id": "mp-1218081",
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"structure_string": "Sr4 Sm8 Be4 O20\n1.0\n6.558020 0.000000 0.000000\n0.000000 7.202487 0.000000\n0.000000 0.000000 9.555030\nSr Sm Be O\n4 8 4 20\ndirect\n0.583370 0.981488 0.675040 Sr\n0.416630 0.481488 0.324960 Sr\n0.083370 0.481488 0.824960 Sr\n0.916630 0.981488 0.175040 Sr\n0.095007 0.746287 0.521935 Sm\n0.404993 0.746287 0.021935 Sm\n0.904993 0.246287 0.478065 Sm\n0.595007 0.246287 0.978065 Sm\n0.927205 0.526474 0.173278 Sm\n0.072795 0.026474 0.826722 Sm\n0.427205 0.026474 0.326722 Sm\n0.572795 0.526474 0.673278 Sm\n0.692747 0.749094 0.398970 Be\n0.807253 0.749094 0.898970 Be\n0.307253 0.249094 0.601030 Be\n0.192747 0.249094 0.101030 Be\n0.020540 0.750075 0.990240 O\n0.479460 0.750075 0.490240 O\n0.979460 0.250075 0.009760 O\n0.520540 0.250075 0.509760 O\n0.162048 0.746828 0.278997 O\n0.337952 0.746828 0.778997 O\n0.837952 0.246828 0.721003 O\n0.662048 0.246828 0.221003 O\n0.634030 0.750046 0.224862 O\n0.865970 0.750046 0.724862 O\n0.365970 0.250046 0.775138 O\n0.134030 0.250046 0.275138 O\n0.316371 0.056919 0.070883 O\n0.194745 0.442789 0.567420 O\n0.683629 0.556919 0.929117 O\n0.805255 0.942789 0.432580 O\n0.694745 0.942789 0.932580 O\n0.816371 0.556919 0.429117 O\n0.305255 0.442789 0.067420 O\n0.183629 0.056919 0.570883 O\n",
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{
"id": "mp-754414",
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"structure_string": "Sr4 Sm8 O16\n1.0\n3.521878 0.000000 0.000000\n0.000000 10.351665 0.000000\n0.000000 0.000000 12.259522\nSr Sm O\n4 8 16\ndirect\n0.750000 0.246799 0.648629 Sr\n0.250000 0.253201 0.148629 Sr\n0.750000 0.746799 0.851371 Sr\n0.250000 0.753201 0.351371 Sr\n0.750000 0.077644 0.887588 Sm\n0.750000 0.078195 0.388223 Sm\n0.250000 0.421805 0.888223 Sm\n0.250000 0.422357 0.387588 Sm\n0.750000 0.577643 0.612412 Sm\n0.750000 0.578195 0.111777 Sm\n0.250000 0.921805 0.611777 Sm\n0.250000 0.922357 0.112412 Sm\n0.250000 0.018408 0.282981 O\n0.750000 0.076415 0.078058 O\n0.250000 0.127929 0.522238 O\n0.250000 0.209995 0.819878 O\n0.750000 0.290005 0.319878 O\n0.750000 0.372071 0.022238 O\n0.250000 0.423585 0.578058 O\n0.750000 0.481592 0.782981 O\n0.250000 0.518408 0.217019 O\n0.750000 0.576415 0.421942 O\n0.250000 0.627929 0.977762 O\n0.250000 0.709995 0.680122 O\n0.750000 0.790005 0.180122 O\n0.750000 0.872071 0.477762 O\n0.250000 0.923585 0.921942 O\n0.750000 0.981592 0.717019 O\n",
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"formula_full": "Sr4 Sm8 O16",
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"formula_anonymous": "AB2C4",
"energy": -224.79902145,
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},
{
"id": "mp-18063",
"created_at": "2022-09-04T14:48:18.139588Z",
"structure_string": "Sr4 Sn12\n1.0\n11.596978 -3.471000 0.000000\n11.596978 3.471000 0.000000\n10.558101 0.000000 5.921507\nSr Sn\n4 12\ndirect\n0.867114 0.867114 0.867114 Sr\n0.132886 0.132886 0.132886 Sr\n0.707232 0.707232 0.707232 Sr\n0.292768 0.292768 0.292768 Sr\n0.281667 0.793697 0.793697 Sn\n0.793697 0.793697 0.281667 Sn\n0.839180 0.398575 0.398575 Sn\n0.398575 0.398575 0.839180 Sn\n0.398575 0.839180 0.398575 Sn\n0.601425 0.160820 0.601425 Sn\n0.160820 0.601425 0.601425 Sn\n0.601425 0.601425 0.160820 Sn\n0.793697 0.281667 0.793697 Sn\n0.206303 0.718333 0.206303 Sn\n0.206303 0.206303 0.718333 Sn\n0.718333 0.206303 0.206303 Sn\n",
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"elements": [
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"density": 6.1828080716487674,
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"volume": 476.718152829383,
"volume_molar": 17.942898869910852,
"formula_full": "Sr4 Sn12",
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"energy": -61.4234622,
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{
"id": "mp-866805",
"created_at": "2022-09-04T14:39:24.826437Z",
"structure_string": "Sr4 Sn12 Sb16\n1.0\n4.445517 0.000000 0.000000\n0.000000 10.176180 0.000000\n0.000000 0.000000 23.284242\nSr Sn Sb\n4 12 16\ndirect\n0.250000 0.938017 0.870316 Sr\n0.750000 0.561983 0.370316 Sr\n0.250000 0.438017 0.629684 Sr\n0.750000 0.061983 0.129684 Sr\n0.250000 0.723119 0.748828 Sn\n0.750000 0.776881 0.248828 Sn\n0.250000 0.223119 0.751172 Sn\n0.750000 0.276881 0.251172 Sn\n0.250000 0.644504 0.989481 Sn\n0.750000 0.855496 0.489481 Sn\n0.250000 0.144504 0.510519 Sn\n0.750000 0.355496 0.010519 Sn\n0.250000 0.543969 0.149537 Sn\n0.750000 0.956031 0.649537 Sn\n0.250000 0.043969 0.350463 Sn\n0.750000 0.456031 0.850463 Sn\n0.250000 0.427547 0.471193 Sb\n0.750000 0.072453 0.971193 Sb\n0.250000 0.927547 0.028807 Sb\n0.750000 0.572453 0.528807 Sb\n0.250000 0.967636 0.231830 Sb\n0.750000 0.532364 0.731830 Sb\n0.250000 0.467636 0.268170 Sb\n0.750000 0.032364 0.768170 Sb\n0.250000 0.786283 0.623029 Sb\n0.750000 0.713717 0.123029 Sb\n0.250000 0.286283 0.876971 Sb\n0.750000 0.213717 0.376971 Sb\n0.250000 0.797332 0.408143 Sb\n0.750000 0.702668 0.908143 Sb\n0.250000 0.297332 0.091857 Sb\n0.750000 0.202668 0.591857 Sb\n",
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"elements": [
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"volume": 1053.3414152011837,
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"formula_full": "Sr4 Sn12 Sb16",
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"updated_at": "2021-11-28T01:34:27.080000Z",
"spacegroup": 62
},
{
"id": "mp-1208734",
"created_at": "2022-09-04T14:47:11.213245Z",
"structure_string": "Sr4 Sn1 Pb1 O8\n1.0\n4.208985 0.000000 0.000000\n0.000000 4.208985 0.000000\n0.000000 0.000000 12.730154\nSr Sn Pb O\n4 1 1 8\ndirect\n0.500000 0.500000 0.141796 Sr\n0.500000 0.500000 0.858204 Sr\n0.000000 0.000000 0.350770 Sr\n0.000000 0.000000 0.649230 Sr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.162175 O\n0.000000 0.000000 0.837825 O\n0.500000 0.500000 0.328463 O\n0.500000 0.500000 0.671537 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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],
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"volume": 225.52173991119273,
"volume_molar": 9.70088330132366,
"formula_full": "Sr4 Sn1 Pb1 O8",
"formula_reduced": "Sr4SnPbO8",
"formula_anonymous": "ABC4D8",
"energy": -89.90294786,
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{
"id": "mp-766178",
"created_at": "2022-09-04T14:39:16.323086Z",
"structure_string": "Sr4 Sn2 H16 O16\n1.0\n10.508102 0.000000 0.000000\n0.000000 6.169593 0.000000\n0.000000 2.596396 6.354527\nSr Sn H O\n4 2 16 16\ndirect\n0.866388 0.362852 0.283378 Sr\n0.633612 0.862852 0.283378 Sr\n0.366388 0.137148 0.716622 Sr\n0.133612 0.637148 0.716622 Sr\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.408707 0.156389 0.304284 H\n0.115289 0.148777 0.265777 H\n0.091293 0.656389 0.304284 H\n0.384711 0.648777 0.265777 H\n0.625144 0.356768 0.457326 H\n0.263541 0.372890 0.083376 H\n0.763541 0.127110 0.916624 H\n0.125144 0.143232 0.542674 H\n0.874856 0.856768 0.457326 H\n0.236459 0.872890 0.083376 H\n0.736459 0.627110 0.916624 H\n0.374856 0.643232 0.542674 H\n0.615289 0.351223 0.734223 H\n0.908707 0.343611 0.695716 H\n0.884711 0.851223 0.734223 H\n0.591293 0.843611 0.695716 H\n0.812839 0.087539 0.047065 O\n0.061826 0.232801 0.133508 O\n0.687161 0.587539 0.047065 O\n0.438174 0.732801 0.133508 O\n0.496105 0.215739 0.297403 O\n0.187258 0.055043 0.495227 O\n0.003895 0.715739 0.297403 O\n0.312742 0.555043 0.495227 O\n0.687258 0.444957 0.504773 O\n0.996105 0.284261 0.702597 O\n0.812742 0.944957 0.504773 O\n0.503895 0.784261 0.702597 O\n0.561826 0.267199 0.866492 O\n0.312839 0.412461 0.952935 O\n0.938174 0.767199 0.866492 O\n0.187161 0.912461 0.952935 O\n",
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"formula_full": "Sr4 Sn2 H16 O16",
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{
"id": "mp-1198515",
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"structure_string": "Sr4 Sn2 H16 O16\n1.0\n-5.639505 0.000000 2.419531\n0.057850 0.000000 -6.190150\n0.000000 -11.300405 0.000000\nSr Sn H O\n4 2 16 16\ndirect\n0.726388 0.390055 0.870346 Sr\n0.273612 0.109945 0.370346 Sr\n0.273612 0.609945 0.129654 Sr\n0.726388 0.890055 0.629654 Sr\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.141057 0.726204 0.696936 H\n0.858943 0.773796 0.196936 H\n0.858943 0.273796 0.303064 H\n0.141057 0.226204 0.803064 H\n0.245470 0.327783 0.620973 H\n0.754530 0.172217 0.120973 H\n0.754530 0.672217 0.379027 H\n0.245470 0.827783 0.879027 H\n0.584683 0.313851 0.584465 H\n0.415317 0.186149 0.084465 H\n0.415317 0.686149 0.415535 H\n0.584683 0.813851 0.915535 H\n0.367049 0.553343 0.761917 H\n0.632951 0.946657 0.261917 H\n0.632951 0.446657 0.238083 H\n0.367049 0.053343 0.738083 H\n0.979415 0.624143 0.671158 O\n0.020585 0.875857 0.171158 O\n0.020585 0.375857 0.328842 O\n0.979415 0.124143 0.828842 O\n0.119995 0.245884 0.559691 O\n0.880005 0.254116 0.059691 O\n0.880005 0.754116 0.440309 O\n0.119995 0.745884 0.940309 O\n0.650491 0.249479 0.521680 O\n0.349509 0.250521 0.021680 O\n0.349509 0.750521 0.478320 O\n0.650491 0.749479 0.978320 O\n0.455650 0.471708 0.724418 O\n0.544350 0.028292 0.224418 O\n0.544350 0.528292 0.275582 O\n0.455650 0.971708 0.775582 O\n",
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{
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{
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"structure_string": "Sr4 Sn2 S8\n1.0\n3.661384 -5.261438 0.000000\n3.661384 5.261438 0.000000\n0.000000 0.000000 10.115999\nSr Sn S\n4 2 8\ndirect\n0.791014 0.791014 0.500000 Sr\n0.791014 0.791014 0.000000 Sr\n0.143942 0.521753 0.750000 Sr\n0.521753 0.143942 0.250000 Sr\n0.543644 0.097039 0.750000 Sn\n0.097039 0.543644 0.250000 Sn\n0.354926 0.897619 0.556534 S\n0.897619 0.354926 0.443466 S\n0.354926 0.897619 0.943466 S\n0.897619 0.354926 0.056534 S\n0.617998 0.493559 0.750000 S\n0.493559 0.617998 0.250000 S\n0.048124 0.905563 0.250000 S\n0.905563 0.048124 0.750000 S\n",
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{
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}