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"results": [
{
"id": "mp-17229",
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{
"id": "mp-1209690",
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"structure_string": "Rb8 Be12 Zn8 F48\n1.0\n10.193555 0.000000 0.000000\n0.000000 10.193555 0.000000\n0.000000 0.000000 10.193555\nRb Be Zn F\n8 12 8 48\ndirect\n0.048496 0.048496 0.048496 Rb\n0.451504 0.951504 0.548496 Rb\n0.951504 0.548496 0.451504 Rb\n0.548496 0.451504 0.951504 Rb\n0.815873 0.815873 0.815873 Rb\n0.684127 0.184127 0.315873 Rb\n0.184127 0.315873 0.684127 Rb\n0.315873 0.684127 0.184127 Rb\n0.019801 0.214656 0.375622 Be\n0.480199 0.785344 0.875622 Be\n0.980199 0.714656 0.124378 Be\n0.375622 0.019801 0.214656 Be\n0.519801 0.285344 0.624378 Be\n0.875622 0.480199 0.785344 Be\n0.124378 0.980199 0.714656 Be\n0.624378 0.519801 0.285344 Be\n0.214656 0.375622 0.019801 Be\n0.714656 0.124378 0.980199 Be\n0.285344 0.624378 0.519801 Be\n0.785344 0.875622 0.480199 Be\n0.334710 0.334710 0.334710 Zn\n0.165290 0.665290 0.834710 Zn\n0.665290 0.834710 0.165290 Zn\n0.834710 0.165290 0.665290 Zn\n0.597815 0.597815 0.597815 Zn\n0.902185 0.402185 0.097815 Zn\n0.402185 0.097815 0.902185 Zn\n0.097815 0.902185 0.402185 Zn\n0.011912 0.068847 0.329672 F\n0.488088 0.931153 0.829672 F\n0.988088 0.568847 0.170328 F\n0.329672 0.011912 0.068847 F\n0.511912 0.431153 0.670328 F\n0.829672 0.488088 0.931153 F\n0.170328 0.988088 0.568847 F\n0.670328 0.511912 0.431153 F\n0.068847 0.329672 0.011912 F\n0.568847 0.170328 0.988088 F\n0.431153 0.670328 0.511912 F\n0.931153 0.829672 0.488088 F\n0.265869 0.495901 0.437797 F\n0.234131 0.504099 0.937797 F\n0.734131 0.995901 0.062203 F\n0.437797 0.265869 0.495901 F\n0.765869 0.004099 0.562203 F\n0.937797 0.234131 0.504099 F\n0.062203 0.734131 0.995901 F\n0.562203 0.765869 0.004099 F\n0.495901 0.437797 0.265869 F\n0.995901 0.062203 0.734131 F\n0.004099 0.562203 0.765869 F\n0.504099 0.937797 0.234131 F\n0.045547 0.805809 0.229896 F\n0.454453 0.194191 0.729896 F\n0.954453 0.305809 0.270104 F\n0.229896 0.045547 0.805809 F\n0.545547 0.694191 0.770104 F\n0.729896 0.454453 0.194191 F\n0.270104 0.954453 0.305809 F\n0.770104 0.545547 0.694191 F\n0.805809 0.229896 0.045547 F\n0.305809 0.270104 0.954453 F\n0.694191 0.770104 0.545547 F\n0.194191 0.729896 0.454453 F\n0.163530 0.256103 0.402188 F\n0.336470 0.743897 0.902188 F\n0.836470 0.756103 0.097812 F\n0.402188 0.163530 0.256103 F\n0.663530 0.243897 0.597812 F\n0.902188 0.336470 0.743897 F\n0.097812 0.836470 0.756103 F\n0.597812 0.663530 0.243897 F\n0.256103 0.402188 0.163530 F\n0.756103 0.097812 0.836470 F\n0.243897 0.597812 0.663530 F\n0.743897 0.902188 0.336470 F\n",
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"formula_full": "Rb8 Be12 Zn8 F48",
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"updated_at": "2021-11-28T01:35:06.908000Z",
"spacegroup": 198
},
{
"id": "mp-1111720",
"created_at": "2022-09-04T14:40:24.056572Z",
"structure_string": "Rb2 Bi1 Au1 Br6\n1.0\n0.000000 5.696932 5.696932\n5.696932 0.000000 5.696932\n5.696932 5.696932 0.000000\nRb Bi Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.747136 0.252864 0.252864 Br\n0.252864 0.252864 0.747136 Br\n0.252864 0.747136 0.747136 Br\n0.252864 0.747136 0.252864 Br\n0.747136 0.252864 0.747136 Br\n0.747136 0.747136 0.252864 Br\n",
"nsites": 10,
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],
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"density_atomic": 0.02704250367596922,
"volume": 369.788245933985,
"volume_molar": 22.269168684079553,
"formula_full": "Rb2 Bi1 Au1 Br6",
"formula_reduced": "Rb2BiAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.10566761,
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"updated_at": "2021-11-28T01:35:03.769000Z",
"spacegroup": 225
},
{
"id": "mp-1111719",
"created_at": "2022-09-04T14:46:06.763945Z",
"structure_string": "Rb2 Bi1 Au1 Cl6\n1.0\n0.000000 5.433099 5.433099\n5.433099 0.000000 5.433099\n5.433099 5.433099 0.000000\nRb Bi Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.749100 0.250900 0.250900 Cl\n0.250900 0.250900 0.749100 Cl\n0.250900 0.749100 0.749100 Cl\n0.250900 0.749100 0.250900 Cl\n0.749100 0.250900 0.749100 Cl\n0.749100 0.749100 0.250900 Cl\n",
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"elements": [
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],
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"density": 4.087744081644799,
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"volume": 320.754569181961,
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"formula_full": "Rb2 Bi1 Au1 Cl6",
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"energy": -35.66251022,
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"updated_at": "2021-11-28T01:37:25.325000Z",
"spacegroup": 225
},
{
"id": "mp-1111403",
"created_at": "2022-09-04T14:46:34.619095Z",
"structure_string": "Rb2 Bi1 Au1 F6\n1.0\n0.000000 4.749641 4.749641\n4.749641 0.000000 4.749641\n4.749641 4.749641 0.000000\nRb Bi Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.761565 0.238435 0.238435 F\n0.238435 0.238435 0.761565 F\n0.238435 0.761565 0.761565 F\n0.238435 0.761565 0.238435 F\n0.761565 0.238435 0.761565 F\n0.761565 0.761565 0.238435 F\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.046664610986767135,
"volume": 214.29515404801592,
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"formula_full": "Rb2 Bi1 Au1 F6",
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"energy": -44.23899116999999,
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"spacegroup": 225
},
{
"id": "mp-1111795",
"created_at": "2022-09-04T14:42:56.666026Z",
"structure_string": "Rb2 Bi1 Au1 I6\n1.0\n0.000000 6.070201 6.070201\n6.070201 0.000000 6.070201\n6.070201 6.070201 0.000000\nRb Bi Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.744656 0.255344 0.255344 I\n0.255344 0.255344 0.744656 I\n0.255344 0.744656 0.744656 I\n0.255344 0.744656 0.255344 I\n0.744656 0.255344 0.744656 I\n0.744656 0.744656 0.255344 I\n",
"nsites": 10,
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},
{
"id": "mp-557599",
"created_at": "2022-09-04T14:40:38.446411Z",
"structure_string": "Rb4 Bi2 Cl10 O40\n1.0\n8.297518 0.000000 0.000000\n-2.800409 10.319224 0.000000\n-4.039092 -2.150364 10.909270\nRb Bi Cl O\n4 2 10 40\ndirect\n0.094258 0.465931 0.236918 Rb\n0.430541 0.112154 0.209327 Rb\n0.905742 0.534069 0.763082 Rb\n0.569459 0.887846 0.790673 Rb\n0.743866 0.780901 0.279210 Bi\n0.256134 0.219099 0.720790 Bi\n0.708989 0.473129 0.371780 Cl\n0.451566 0.796230 0.415251 Cl\n0.008089 0.102814 0.359112 Cl\n0.991911 0.897186 0.640888 Cl\n0.373722 0.699649 0.045417 Cl\n0.626278 0.300351 0.954583 Cl\n0.291011 0.526871 0.628220 Cl\n0.095108 0.195790 0.936262 Cl\n0.904892 0.804210 0.063738 Cl\n0.548434 0.203770 0.584749 Cl\n0.468945 0.075685 0.607965 O\n0.742405 0.243427 0.632273 O\n0.917216 0.110765 0.913817 O\n0.914026 0.718304 0.159101 O\n0.934577 0.813555 0.718383 O\n0.206045 0.623095 0.050767 O\n0.194601 0.621123 0.629680 O\n0.515790 0.633199 0.098562 O\n0.521610 0.419571 0.291488 O\n0.268321 0.472771 0.506373 O\n0.257595 0.756573 0.367727 O\n0.824842 0.720825 0.943495 O\n0.444343 0.831862 0.123717 O\n0.213286 0.118541 0.921974 O\n0.086925 0.176698 0.485954 O\n0.189781 0.940906 0.681406 O\n0.647573 0.291739 0.079512 O\n0.199748 0.413607 0.682227 O\n0.731679 0.527229 0.493627 O\n0.810219 0.059094 0.318594 O\n0.935337 0.016297 0.646455 O\n0.497584 0.304857 0.655955 O\n0.352427 0.708261 0.920488 O\n0.800252 0.586393 0.317773 O\n0.064663 0.983703 0.353545 O\n0.502416 0.695143 0.344045 O\n0.085974 0.281696 0.840899 O\n0.082784 0.889235 0.086183 O\n0.484210 0.366801 0.901438 O\n0.065423 0.186445 0.281617 O\n0.793955 0.376905 0.949233 O\n0.913075 0.823302 0.514046 O\n0.525981 0.790024 0.542947 O\n0.786714 0.881459 0.078026 O\n0.175158 0.279175 0.056505 O\n0.805399 0.378877 0.370320 O\n0.478390 0.580429 0.708512 O\n0.474019 0.209976 0.457053 O\n0.555657 0.168138 0.876283 O\n0.531055 0.924315 0.392035 O\n",
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],
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"volume": 934.0947550453823,
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"formula_full": "Rb4 Bi2 Cl10 O40",
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"spacegroup": 2
},
{
"id": "mp-1219895",
"created_at": "2022-09-04T14:39:40.127351Z",
"structure_string": "Rb15 Bi3 I30 O6\n1.0\n8.404943 -11.522702 0.000000\n8.404943 11.522702 0.000000\n-7.392031 0.000000 12.197279\nRb Bi I O\n15 3 30 6\ndirect\n0.019822 0.237642 0.237642 Rb\n0.237642 0.237642 0.019822 Rb\n0.237642 0.019822 0.237642 Rb\n0.984293 0.763575 0.763575 Rb\n0.763575 0.763575 0.984293 Rb\n0.763575 0.984293 0.763575 Rb\n0.165145 0.835776 0.500057 Rb\n0.835776 0.500057 0.165145 Rb\n0.500057 0.165145 0.835776 Rb\n0.500057 0.835776 0.165145 Rb\n0.835776 0.165145 0.500057 Rb\n0.165145 0.500057 0.835776 Rb\n0.368102 0.583676 0.583676 Rb\n0.583676 0.583676 0.368102 Rb\n0.583676 0.368102 0.583676 Rb\n0.497275 0.497275 0.996130 Bi\n0.497275 0.996130 0.497275 Bi\n0.996130 0.497275 0.497275 Bi\n0.701140 0.701140 0.198377 I\n0.701140 0.198377 0.701140 I\n0.198377 0.701140 0.701140 I\n0.296088 0.296088 0.801392 I\n0.296088 0.801392 0.296088 I\n0.801392 0.296088 0.296088 I\n0.500385 0.000247 0.000247 I\n0.000247 0.000247 0.500385 I\n0.000247 0.500385 0.000247 I\n0.337700 0.337700 0.337700 I\n0.671941 0.671941 0.671941 I\n0.999748 0.999748 0.999748 I\n0.716618 0.016123 0.016123 I\n0.016123 0.016123 0.716618 I\n0.016123 0.716618 0.016123 I\n0.283441 0.983432 0.983432 I\n0.983432 0.983432 0.283441 I\n0.983432 0.283441 0.983432 I\n0.540555 0.352101 0.111431 I\n0.352101 0.111431 0.540555 I\n0.111431 0.540555 0.352101 I\n0.111431 0.352101 0.540555 I\n0.352101 0.540555 0.111431 I\n0.540555 0.111431 0.352101 I\n0.460181 0.651420 0.889751 I\n0.651420 0.889751 0.460181 I\n0.889751 0.460181 0.651420 I\n0.889751 0.651420 0.460181 I\n0.651420 0.460181 0.889751 I\n0.460181 0.889751 0.651420 I\n0.737335 0.263425 0.000359 O\n0.263425 0.000359 0.737335 O\n0.000359 0.737335 0.263425 O\n0.000359 0.263425 0.737335 O\n0.263425 0.737335 0.000359 O\n0.737335 0.000359 0.263425 O\n",
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}