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{
"id": "mp-28519",
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"structure_string": "Fe8 As10 O26\n1.0\n9.130941 0.000000 0.000000\n-3.551855 8.582935 0.000000\n-4.083179 -2.419825 8.021264\nFe As O\n8 10 26\ndirect\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.738172 0.303078 0.620600 Fe\n0.261828 0.696922 0.379400 Fe\n0.352508 0.883609 0.803147 Fe\n0.647492 0.116391 0.196853 Fe\n0.469245 0.720948 0.105688 Fe\n0.530755 0.279052 0.894312 Fe\n0.900707 0.705112 0.697954 As\n0.099293 0.294888 0.302046 As\n0.159292 0.337172 0.832683 As\n0.840708 0.662828 0.167317 As\n0.212095 0.930908 0.095340 As\n0.787905 0.069092 0.904660 As\n0.533003 0.407695 0.262566 As\n0.466997 0.592305 0.737434 As\n0.698178 0.948987 0.459036 As\n0.301822 0.051013 0.540964 As\n0.095610 0.706399 0.685635 O\n0.904390 0.293601 0.314365 O\n0.626168 0.088654 0.962185 O\n0.373832 0.911346 0.037815 O\n0.007154 0.648793 0.355454 O\n0.992846 0.351207 0.644546 O\n0.483644 0.764298 0.363042 O\n0.516356 0.235702 0.636958 O\n0.260980 0.561836 0.548726 O\n0.739020 0.438164 0.451274 O\n0.863259 0.261886 0.854367 O\n0.136741 0.738114 0.145633 O\n0.290001 0.062385 0.731565 O\n0.709999 0.937615 0.268435 O\n0.139854 0.468298 0.220985 O\n0.860146 0.531702 0.779015 O\n0.781656 0.479284 0.027991 O\n0.218344 0.520716 0.972009 O\n0.621895 0.106525 0.417942 O\n0.378105 0.893475 0.582058 O\n0.366044 0.414536 0.801581 O\n0.633956 0.585464 0.198419 O\n0.981699 0.129273 0.110892 O\n0.524127 0.256824 0.124092 O\n0.018301 0.870727 0.889108 O\n0.475873 0.743176 0.875908 O\n",
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{
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"structure_string": "K4 Yb12 F40\n1.0\n4.105663 -7.111217 0.000000\n4.105663 7.111217 0.000000\n0.000000 0.000000 13.477469\nK Yb F\n4 12 40\ndirect\n0.000000 0.000000 0.989734 K\n0.666667 0.333333 0.244544 K\n0.333333 0.666667 0.744544 K\n0.000000 0.000000 0.489734 K\n0.818454 0.636909 0.753770 Yb\n0.032667 0.516334 0.480711 Yb\n0.363091 0.181546 0.753770 Yb\n0.516334 0.032667 0.980711 Yb\n0.483666 0.967333 0.480711 Yb\n0.483666 0.516334 0.480711 Yb\n0.967333 0.483666 0.980711 Yb\n0.636909 0.818454 0.253770 Yb\n0.818454 0.181546 0.753770 Yb\n0.181546 0.818454 0.253770 Yb\n0.516334 0.483666 0.980711 Yb\n0.181546 0.363091 0.253770 Yb\n0.113442 0.226884 0.783696 F\n0.226884 0.113442 0.283696 F\n0.491580 0.508420 0.308877 F\n0.333333 0.666667 0.200755 F\n0.787414 0.212586 0.460653 F\n0.212586 0.425172 0.960653 F\n0.812691 0.187309 0.920963 F\n0.625381 0.812691 0.420963 F\n0.886558 0.113442 0.283696 F\n0.016840 0.508420 0.308877 F\n0.508420 0.016840 0.808877 F\n0.010451 0.319173 0.109072 F\n0.691278 0.680827 0.609072 F\n0.989549 0.680827 0.609072 F\n0.212586 0.787414 0.960653 F\n0.319173 0.010451 0.609072 F\n0.308722 0.989549 0.109072 F\n0.773116 0.886558 0.783696 F\n0.812691 0.625381 0.920963 F\n0.666667 0.333333 0.700755 F\n0.374619 0.187309 0.920963 F\n0.787414 0.574828 0.460653 F\n0.308722 0.319173 0.109072 F\n0.666667 0.333333 0.047733 F\n0.187309 0.374619 0.420963 F\n0.983160 0.491580 0.808877 F\n0.886558 0.773116 0.283696 F\n0.319173 0.308722 0.609072 F\n0.491580 0.983160 0.308877 F\n0.333333 0.666667 0.547733 F\n0.425172 0.212586 0.460653 F\n0.691278 0.010451 0.609072 F\n0.680827 0.691278 0.109072 F\n0.508420 0.491580 0.808877 F\n0.680827 0.989549 0.109072 F\n0.187309 0.812691 0.420963 F\n0.574828 0.787414 0.960653 F\n0.989549 0.308722 0.609072 F\n0.113442 0.886558 0.783696 F\n0.010451 0.691278 0.109072 F\n",
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{
"id": "mp-1277483",
"created_at": "2022-09-04T14:39:25.618710Z",
"structure_string": "Li4 La16 Co4 O32\n1.0\n0.015307 4.932678 -2.120952\n-10.752328 0.045451 6.994770\n10.738845 0.103151 6.973334\nLi La Co O\n4 16 4 32\ndirect\n0.499803 0.500005 0.500085 Li\n0.501808 0.749427 0.250466 Li\n0.500289 0.250130 0.749974 Li\n0.498080 0.000407 0.999492 Li\n0.362517 0.988092 0.738095 La\n0.364280 0.237688 0.487493 La\n0.363979 0.739134 0.989173 La\n0.364919 0.487753 0.237543 La\n0.636093 0.762369 0.512352 La\n0.635825 0.010631 0.260792 La\n0.635817 0.512602 0.762467 La\n0.636526 0.261805 0.012043 La\n0.137480 0.638256 0.638202 La\n0.141330 0.886722 0.388407 La\n0.138116 0.387938 0.888014 La\n0.133996 0.138038 0.137638 La\n0.862143 0.112112 0.611096 La\n0.862012 0.362160 0.361816 La\n0.858599 0.863242 0.861793 La\n0.866364 0.611539 0.112994 La\n0.000085 0.624598 0.375387 Co\n0.000041 0.375141 0.624969 Co\n0.999869 0.874746 0.125041 Co\n0.999902 0.125395 0.874556 Co\n0.679888 0.680303 0.681484 O\n0.682705 0.931273 0.431982 O\n0.681854 0.431831 0.930465 O\n0.680834 0.182130 0.181641 O\n0.319761 0.069556 0.568178 O\n0.318433 0.318462 0.319702 O\n0.317066 0.818449 0.817906 O\n0.319551 0.567978 0.068692 O\n0.820575 0.945454 0.695884 O\n0.819615 0.195282 0.445693 O\n0.825670 0.700456 0.950578 O\n0.819576 0.445198 0.195359 O\n0.181012 0.804881 0.554588 O\n0.174436 0.049629 0.299505 O\n0.180324 0.554610 0.804290 O\n0.178889 0.304476 0.054196 O\n0.243821 0.064376 0.935718 O\n0.246300 0.314450 0.685199 O\n0.255353 0.811607 0.188529 O\n0.244937 0.563974 0.436002 O\n0.754304 0.064625 0.935393 O\n0.753467 0.314778 0.685743 O\n0.756292 0.812892 0.187099 O\n0.753782 0.563974 0.436084 O\n0.756027 0.685491 0.314590 O\n0.744828 0.938378 0.061757 O\n0.753717 0.435609 0.564460 O\n0.755149 0.186164 0.813731 O\n0.246371 0.685046 0.314816 O\n0.243622 0.937046 0.063119 O\n0.246379 0.435386 0.564059 O\n0.245597 0.186305 0.813663 O\n",
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"density": 6.693399678814249,
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"volume": 743.7533103858041,
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"formula_full": "Li4 La16 Co4 O32",
"formula_reduced": "LiLa4CoO8",
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},
{
"id": "mp-1176459",
"created_at": "2022-09-04T14:39:25.621361Z",
"structure_string": "Mn6 O2 F10\n1.0\n5.881074 0.000000 0.000000\n1.912779 5.566293 0.000000\n2.232862 1.514225 7.096304\nMn O F\n6 2 10\ndirect\n0.333101 0.355020 0.161582 Mn\n0.678440 0.684075 0.331557 Mn\n0.323936 0.334632 0.665803 Mn\n0.644099 0.670274 0.841061 Mn\n0.994201 0.991738 0.486680 Mn\n0.019789 0.975647 0.013307 Mn\n0.903620 0.888988 0.289407 O\n0.301984 0.700528 0.001045 O\n0.363571 0.985038 0.331779 F\n0.012247 0.636850 0.672403 F\n0.093391 0.084976 0.711251 F\n0.449729 0.453506 0.364332 F\n0.760932 0.761227 0.035878 F\n0.234422 0.232615 0.965294 F\n0.565163 0.569194 0.629090 F\n0.634399 0.032649 0.662937 F\n0.967600 0.361676 0.338610 F\n0.719373 0.281366 0.997984 F\n",
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{
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"structure_string": "Ga8 W4 O24\n1.0\n6.337501 7.126804 0.000000\n-6.337501 7.126804 0.000000\n0.000000 0.521380 5.012288\nGa W O\n8 4 24\ndirect\n0.155274 0.844726 0.750000 Ga\n0.696381 0.303619 0.750000 Ga\n0.942555 0.792967 0.297032 Ga\n0.792967 0.942555 0.797032 Ga\n0.207033 0.057445 0.202968 Ga\n0.057445 0.207033 0.702968 Ga\n0.303619 0.696381 0.250000 Ga\n0.844726 0.155274 0.250000 Ga\n0.493941 0.843737 0.610908 W\n0.156263 0.506059 0.889092 W\n0.843737 0.493941 0.110908 W\n0.506059 0.156263 0.389092 W\n0.857690 0.962449 0.125247 O\n0.556510 0.954675 0.296233 O\n0.265868 0.892952 0.410675 O\n0.478496 0.688753 0.421099 O\n0.311247 0.521504 0.078901 O\n0.107048 0.734132 0.089325 O\n0.962449 0.857690 0.625247 O\n0.196145 0.644361 0.602490 O\n0.644361 0.196145 0.102490 O\n0.189575 0.336228 0.732143 O\n0.336228 0.189575 0.232143 O\n0.045325 0.443490 0.203767 O\n0.954675 0.556510 0.796233 O\n0.663772 0.810425 0.767857 O\n0.810425 0.663772 0.267857 O\n0.355639 0.803855 0.897510 O\n0.803855 0.355639 0.397510 O\n0.037551 0.142310 0.374753 O\n0.892952 0.265868 0.910675 O\n0.688753 0.478496 0.921099 O\n0.521504 0.311247 0.578901 O\n0.734132 0.107048 0.589325 O\n0.443490 0.045325 0.703767 O\n0.142310 0.037551 0.874753 O\n",
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{
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"structure_string": "Na8 Fe4 O12\n1.0\n-0.000048 3.208598 4.665139\n-8.999076 -3.208471 0.000006\n0.000056 -3.208638 4.665167\nNa Fe O\n8 4 12\ndirect\n0.993731 0.987343 0.506264 Na\n0.256367 0.512667 0.743632 Na\n0.743630 0.487323 0.256367 Na\n0.506266 0.012640 0.993735 Na\n0.421154 0.842305 0.578844 Na\n0.828929 0.657652 0.671073 Na\n0.671065 0.342334 0.828933 Na\n0.578836 0.157668 0.421155 Na\n0.335390 0.670720 0.164609 Fe\n0.085356 0.170721 0.914643 Fe\n0.914670 0.829305 0.085333 Fe\n0.164584 0.329278 0.335422 Fe\n0.058017 0.499995 0.441983 O\n0.441960 0.499982 0.058049 O\n0.191966 0.999992 0.808026 O\n0.808050 0.000025 0.191953 O\n0.175968 0.808524 0.302481 O\n0.632614 0.808539 0.888935 O\n0.073986 0.691455 0.947572 O\n0.617512 0.691490 0.360938 O\n0.360987 0.308534 0.617459 O\n0.947554 0.308566 0.074004 O\n0.888939 0.191459 0.632604 O\n0.302469 0.191483 0.175986 O\n",
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},
{
"id": "mp-1037415",
"created_at": "2022-09-04T14:39:25.993954Z",
"structure_string": "Mg30 Fe1 Bi1 O32\n1.0\n8.611949 0.000000 0.000000\n0.000000 8.611949 0.000000\n0.000000 0.000000 8.627710\nMg Fe Bi O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.240907 0.240907 0.000000 Mg\n0.240907 0.759093 0.000000 Mg\n0.759093 0.240907 0.000000 Mg\n0.759093 0.759093 0.000000 Mg\n0.248154 0.248154 0.500000 Mg\n0.248154 0.751846 0.500000 Mg\n0.751846 0.248154 0.500000 Mg\n0.751846 0.751846 0.500000 Mg\n0.000000 0.245666 0.248405 Mg\n0.000000 0.754334 0.248405 Mg\n0.500000 0.241646 0.256865 Mg\n0.500000 0.758354 0.256865 Mg\n0.000000 0.245666 0.751595 Mg\n0.000000 0.754334 0.751595 Mg\n0.500000 0.241646 0.743135 Mg\n0.500000 0.758354 0.743135 Mg\n0.245666 0.000000 0.248405 Mg\n0.241646 0.500000 0.256865 Mg\n0.754334 0.000000 0.248405 Mg\n0.758354 0.500000 0.256865 Mg\n0.245666 0.000000 0.751595 Mg\n0.241646 0.500000 0.743135 Mg\n0.754334 0.000000 0.751595 Mg\n0.758354 0.500000 0.743135 Mg\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.266886 O\n0.000000 0.500000 0.253659 O\n0.500000 0.000000 0.253659 O\n0.500000 0.500000 0.266950 O\n0.000000 0.000000 0.733114 O\n0.000000 0.500000 0.746341 O\n0.500000 0.000000 0.746341 O\n0.500000 0.500000 0.733050 O\n0.251382 0.251382 0.248752 O\n0.251382 0.748618 0.248752 O\n0.748618 0.251382 0.248752 O\n0.748618 0.748618 0.248752 O\n0.251382 0.251382 0.751248 O\n0.251382 0.748618 0.751248 O\n0.748618 0.251382 0.751248 O\n0.748618 0.748618 0.751248 O\n0.000000 0.260813 0.000000 O\n0.000000 0.739187 0.000000 O\n0.500000 0.234289 0.000000 O\n0.500000 0.765711 0.000000 O\n0.000000 0.252624 0.500000 O\n0.000000 0.747376 0.500000 O\n0.500000 0.248951 0.500000 O\n0.500000 0.751049 0.500000 O\n0.260813 0.000000 0.000000 O\n0.234289 0.500000 0.000000 O\n0.739187 0.000000 0.000000 O\n0.765711 0.500000 0.000000 O\n0.252624 0.000000 0.500000 O\n0.248951 0.500000 0.500000 O\n0.747376 0.000000 0.500000 O\n0.751049 0.500000 0.500000 O\n",
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"formula_full": "Mg30 Fe1 Bi1 O32",
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