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{
"id": "mp-562920",
"created_at": "2022-09-04T14:47:03.673453Z",
"structure_string": "Cs8 Al8 Si16 O48\n1.0\n-6.949546 6.949546 7.015032\n6.949546 -6.949546 7.015032\n6.949546 6.949546 -7.015032\nCs Al Si O\n8 8 16 48\ndirect\n0.877263 0.377263 0.254526 Cs\n0.122737 0.622737 0.745474 Cs\n0.377263 0.122737 0.500000 Cs\n0.372737 0.127263 0.000000 Cs\n0.627263 0.627263 0.754526 Cs\n0.872737 0.872737 0.245474 Cs\n0.622737 0.877263 0.500000 Cs\n0.127263 0.372737 0.000000 Cs\n0.337457 0.837457 0.174914 Al\n0.087457 0.087457 0.674914 Al\n0.162543 0.337457 0.500000 Al\n0.912543 0.587457 0.000000 Al\n0.662543 0.162543 0.825086 Al\n0.587457 0.912543 0.000000 Al\n0.837457 0.662543 0.500000 Al\n0.412543 0.412543 0.325086 Al\n0.167271 0.699168 0.289194 Si\n0.300832 0.590026 0.468103 Si\n0.340026 0.371923 0.789194 Si\n0.840026 0.050832 0.968103 Si\n0.409974 0.878077 0.710806 Si\n0.800832 0.332729 0.710806 Si\n0.449168 0.659974 0.031897 Si\n0.667271 0.378077 0.468103 Si\n0.082729 0.871923 0.031897 Si\n0.628077 0.417271 0.968103 Si\n0.121923 0.832729 0.531897 Si\n0.621923 0.090026 0.289194 Si\n0.128077 0.159974 0.210806 Si\n0.949168 0.917271 0.789194 Si\n0.582729 0.550832 0.210806 Si\n0.909974 0.199168 0.531897 Si\n0.138903 0.797264 0.396288 O\n0.611097 0.452736 0.103712 O\n0.718774 0.651457 0.358066 O\n0.702736 0.361097 0.603712 O\n0.510725 0.006845 0.713006 O\n0.493155 0.989275 0.286994 O\n0.793391 0.151457 0.932683 O\n0.400976 0.742615 0.603712 O\n0.239275 0.243155 0.786994 O\n0.757385 0.099024 0.396288 O\n0.456161 0.452281 0.213006 O\n0.531226 0.389292 0.432683 O\n0.848543 0.781226 0.641934 O\n0.047264 0.888903 0.896288 O\n0.139292 0.206609 0.358066 O\n0.257385 0.861097 0.658361 O\n0.900976 0.297264 0.658361 O\n0.492615 0.388903 0.841639 O\n0.293391 0.360708 0.641934 O\n0.031226 0.598543 0.141934 O\n0.456609 0.889292 0.858066 O\n0.010725 0.297719 0.503880 O\n0.793839 0.506845 0.496120 O\n0.256845 0.260725 0.213006 O\n0.993155 0.706161 0.503880 O\n0.401457 0.543391 0.432683 O\n0.218774 0.860708 0.067317 O\n0.349024 0.507385 0.896288 O\n0.547719 0.760725 0.003880 O\n0.111097 0.007385 0.158361 O\n0.610708 0.043391 0.141934 O\n0.956609 0.098543 0.567317 O\n0.901457 0.468774 0.858066 O\n0.047719 0.043839 0.786994 O\n0.639292 0.281226 0.932683 O\n0.110708 0.968774 0.567317 O\n0.293839 0.797719 0.286994 O\n0.202736 0.599024 0.341639 O\n0.992615 0.150976 0.103712 O\n0.739275 0.952281 0.996120 O\n0.202281 0.489275 0.496120 O\n0.638903 0.242615 0.341639 O\n0.348543 0.706609 0.067317 O\n0.849024 0.952736 0.841639 O\n0.547264 0.650976 0.158361 O\n0.702281 0.206161 0.713006 O\n0.756845 0.543839 0.996120 O\n0.956161 0.743155 0.003880 O\n",
"nsites": 80,
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"elements": [
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],
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"volume": 1355.1972622598844,
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"formula_full": "Cs8 Al8 Si16 O48",
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"energy": -620.84854184,
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"updated_at": "2021-11-28T01:37:55.040000Z",
"spacegroup": 142
},
{
"id": "mp-504158",
"created_at": "2022-09-04T14:47:07.291942Z",
"structure_string": "Li8 Mo2 P4 O18\n1.0\n3.518859 7.229698 0.000000\n-3.518859 7.229698 0.000000\n0.000000 0.024204 7.185209\nLi Mo P O\n8 2 4 18\ndirect\n0.899755 0.899755 0.240097 Li\n0.368787 0.368787 0.691014 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.631213 0.631213 0.308986 Li\n0.100245 0.100245 0.759903 Li\n0.768893 0.231107 0.000000 Li\n0.231107 0.768893 0.000000 Li\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.402871 0.402871 0.243403 P\n0.877701 0.877701 0.699393 P\n0.122299 0.122299 0.300607 P\n0.597129 0.597129 0.756597 P\n0.492854 0.492854 0.751754 O\n0.966386 0.966386 0.818091 O\n0.882641 0.882641 0.489427 O\n0.557495 0.194234 0.120419 O\n0.194234 0.557495 0.120419 O\n0.346680 0.346680 0.424289 O\n0.635416 0.004262 0.751069 O\n0.004262 0.635416 0.751069 O\n0.759583 0.759583 0.129787 O\n0.240417 0.240417 0.870213 O\n0.995738 0.364584 0.248931 O\n0.364584 0.995738 0.248931 O\n0.653320 0.653320 0.575711 O\n0.805766 0.442505 0.879581 O\n0.442505 0.805766 0.879581 O\n0.117359 0.117359 0.510573 O\n0.033614 0.033614 0.181909 O\n0.507146 0.507146 0.248246 O\n",
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"formula_full": "Li8 Mo2 P4 O18",
"formula_reduced": "Li4MoP2O9",
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{
"id": "mp-1234112",
"created_at": "2022-09-04T14:47:11.366307Z",
"structure_string": "K4 Mg1 Zn4 H16 Br12 O8\n1.0\n5.825161 -0.237601 -4.714391\n-0.490954 12.875429 0.145056\n-0.679653 0.119608 13.322541\nK Mg Zn H Br O\n4 1 4 16 12 8\ndirect\n0.413195 0.806268 0.029931 K\n0.739679 0.343489 0.502647 K\n0.635608 0.178458 0.977704 K\n0.308421 0.681247 0.512053 K\n0.823769 0.996221 0.834916 Mg\n0.351067 0.974211 0.677088 Zn\n0.527087 0.427525 0.760443 Zn\n0.501073 0.080325 0.270952 Zn\n0.478886 0.565992 0.246236 Zn\n0.789792 0.261263 0.807370 H\n0.210865 0.763643 0.696084 H\n0.217717 0.718786 0.204748 H\n0.784002 0.241882 0.284147 H\n0.947430 0.340435 0.935777 H\n0.995752 0.813610 0.561752 H\n0.062894 0.647229 0.066777 H\n0.922373 0.184148 0.426681 H\n0.886878 0.140233 0.707862 H\n0.095847 0.652309 0.775790 H\n0.117997 0.849201 0.247130 H\n0.952870 0.350125 0.224806 H\n0.613263 0.122764 0.635695 H\n0.338705 0.611571 0.836231 H\n0.393701 0.841375 0.346218 H\n0.693518 0.379162 0.149126 H\n0.298716 0.394612 0.525727 Br\n0.826778 0.934519 0.026821 Br\n0.700260 0.599464 0.481707 Br\n0.269155 0.095921 0.026257 Br\n0.311796 0.410618 0.835947 Br\n0.886028 0.856877 0.737332 Br\n0.733259 0.596363 0.196639 Br\n0.323294 0.126194 0.357885 Br\n0.102123 0.142125 0.655578 Br\n0.758194 0.592367 0.835076 Br\n0.686518 0.917444 0.333565 Br\n0.263417 0.395676 0.171391 Br\n0.168117 0.805246 0.619367 O\n0.782469 0.310773 0.860221 O\n0.763776 0.200608 0.341112 O\n0.226398 0.675407 0.145914 O\n0.260007 0.676226 0.818008 O\n0.774543 0.135964 0.725686 O\n0.791520 0.319199 0.180536 O\n0.243467 0.801260 0.310128 O\n",
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],
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"formula_full": "K4 Mg1 Zn4 H16 Br12 O8",
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{
"id": "mp-978099",
"created_at": "2022-09-04T14:47:05.131255Z",
"structure_string": "K6 Gd2 P4 O16\n1.0\n5.676130 0.000000 0.000000\n0.000000 7.514371 0.000000\n0.000000 0.233306 9.531768\nK Gd P O\n6 2 4 16\ndirect\n0.750000 0.636658 0.591985 K\n0.250000 0.363342 0.408015 K\n0.750000 0.493399 0.189425 K\n0.250000 0.506601 0.810575 K\n0.250000 0.800849 0.082685 K\n0.750000 0.199151 0.917315 K\n0.750000 0.993830 0.291733 Gd\n0.250000 0.006170 0.708267 Gd\n0.750000 0.768951 0.910862 P\n0.250000 0.231049 0.089138 P\n0.750000 0.189921 0.572312 P\n0.250000 0.810079 0.427688 P\n0.750000 0.825156 0.067415 O\n0.250000 0.174844 0.932585 O\n0.750000 0.565427 0.897813 O\n0.250000 0.434573 0.102187 O\n0.025883 0.151616 0.163603 O\n0.525883 0.848384 0.836397 O\n0.974117 0.848384 0.836397 O\n0.474117 0.151616 0.163603 O\n0.750000 0.282542 0.423691 O\n0.250000 0.717458 0.576309 O\n0.525817 0.244057 0.656310 O\n0.025817 0.755943 0.343690 O\n0.474183 0.755943 0.343690 O\n0.974183 0.244057 0.656310 O\n0.750000 0.986746 0.546836 O\n0.250000 0.013254 0.453164 O\n",
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{
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"structure_string": "Mg7 Si1\n1.0\n3.131568 -5.424034 0.000000\n3.131568 5.424034 0.000000\n0.000000 0.000000 4.999349\nMg Si\n7 1\ndirect\n0.833648 0.667296 0.000000 Mg\n0.332704 0.166352 0.000000 Mg\n0.833648 0.166352 0.000000 Mg\n0.497436 0.502564 0.500000 Mg\n0.005128 0.502564 0.500000 Mg\n0.497436 0.994872 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.000000 Si\n",
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{
"id": "mp-731701",
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"structure_string": "K4 Al2 O2 F10\n1.0\n3.933385 -4.750452 0.000000\n3.933385 4.750452 0.000000\n0.000000 0.000000 7.526406\nK Al O F\n4 2 2 10\ndirect\n0.039430 0.501792 0.250000 K\n0.498208 0.960570 0.750000 K\n0.960570 0.498208 0.750000 K\n0.501792 0.039430 0.250000 K\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.544155 0.544155 0.250000 O\n0.455845 0.455845 0.750000 O\n0.808505 0.191495 0.500000 F\n0.808505 0.191495 0.000000 F\n0.191495 0.808505 0.500000 F\n0.191495 0.808505 0.000000 F\n0.228888 0.228888 0.525092 F\n0.771112 0.771112 0.474908 F\n0.228888 0.228888 0.974908 F\n0.771112 0.771112 0.025092 F\n0.033760 0.033760 0.250000 F\n0.966240 0.966240 0.750000 F\n",
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{
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"structure_string": "Cs1 Li1 Mg6 O7\n1.0\n4.512364 0.000000 0.000000\n0.000000 4.512364 0.000000\n0.000000 0.000000 9.520674\nCs Li Mg O\n1 1 6 7\ndirect\n0.000000 0.000000 0.505560 Cs\n0.000000 0.000000 0.000850 Li\n0.500000 0.500000 0.986747 Mg\n0.500000 0.500000 0.524892 Mg\n0.000000 0.500000 0.212688 Mg\n0.000000 0.500000 0.790874 Mg\n0.500000 0.000000 0.212688 Mg\n0.500000 0.000000 0.790874 Mg\n0.000000 0.000000 0.214878 O\n0.000000 0.000000 0.789497 O\n0.500000 0.500000 0.753291 O\n0.000000 0.500000 0.001734 O\n0.000000 0.500000 0.481847 O\n0.500000 0.000000 0.001734 O\n0.500000 0.000000 0.481847 O\n",
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{
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"structure_string": "Sr2 As12 Pt8\n1.0\n4.224069 4.362741 0.000000\n-4.224069 4.362741 0.000000\n0.000000 0.199033 12.150359\nSr As Pt\n2 12 8\ndirect\n0.596076 0.403924 0.250000 Sr\n0.403924 0.596076 0.750000 Sr\n0.863502 0.903724 0.691569 As\n0.096276 0.136498 0.808431 As\n0.136498 0.096276 0.308431 As\n0.903724 0.863502 0.191569 As\n0.120778 0.376640 0.056313 As\n0.623360 0.879222 0.443687 As\n0.879222 0.623360 0.943687 As\n0.376640 0.120778 0.556313 As\n0.615500 0.123255 0.945042 As\n0.876745 0.384500 0.554958 As\n0.123255 0.615500 0.445042 As\n0.384500 0.876745 0.054958 As\n0.076604 0.493902 0.250294 Pt\n0.506098 0.923396 0.249706 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.493902 0.076604 0.750294 Pt\n0.923396 0.506098 0.749706 Pt\n",
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{
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}