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{
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{
"id": "mp-26559",
"created_at": "2022-09-04T14:43:11.006066Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n-0.000071 5.431418 0.000014\n-0.031425 0.000001 7.990740\n8.316218 -0.000108 -2.055208\nLi Fe P O\n4 4 4 16\ndirect\n0.152462 0.966042 0.569436 Li\n0.847546 0.966055 0.069435 Li\n0.663690 0.500399 0.779689 Li\n0.336308 0.500386 0.279676 Li\n0.336591 0.870278 0.201803 Fe\n0.826744 0.361757 0.391615 Fe\n0.663206 0.870435 0.701935 Fe\n0.173367 0.361760 0.891583 Fe\n0.830124 0.741792 0.328248 P\n0.169888 0.741780 0.828234 P\n0.669794 0.246492 0.012631 P\n0.330230 0.246442 0.512612 P\n0.704111 0.825177 0.202155 O\n0.295920 0.825190 0.702170 O\n0.833729 0.874311 0.495899 O\n0.166261 0.874282 0.995887 O\n0.191835 0.220145 0.663476 O\n0.808147 0.220147 0.163493 O\n0.102027 0.695287 0.275539 O\n0.897966 0.695324 0.775533 O\n0.408570 0.323037 0.059684 O\n0.591452 0.322997 0.559692 O\n0.319628 0.581269 0.842561 O\n0.680390 0.581276 0.342570 O\n0.336780 0.061360 0.401832 O\n0.663189 0.061434 0.901845 O\n0.808257 0.371401 0.929195 O\n0.191787 0.371355 0.429170 O\n",
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},
{
"id": "mp-556932",
"created_at": "2022-09-04T14:43:11.008941Z",
"structure_string": "Tl24 P24 O72\n1.0\n11.093220 0.000000 0.000000\n0.000000 11.260694 0.000000\n0.000000 0.000000 16.272151\nTl P O\n24 24 72\ndirect\n0.000836 0.925152 0.236405 Tl\n0.449365 0.653890 0.417011 Tl\n0.999164 0.425152 0.236405 Tl\n0.415075 0.178745 0.110502 Tl\n0.000836 0.574848 0.763595 Tl\n0.050635 0.346110 0.917011 Tl\n0.915075 0.178745 0.389498 Tl\n0.500836 0.925152 0.263595 Tl\n0.500836 0.574848 0.736405 Tl\n0.449365 0.846110 0.582989 Tl\n0.584925 0.821255 0.889498 Tl\n0.499164 0.074848 0.736405 Tl\n0.584925 0.678745 0.110502 Tl\n0.084925 0.678745 0.389498 Tl\n0.949365 0.846110 0.917011 Tl\n0.084925 0.821255 0.610502 Tl\n0.550635 0.346110 0.582989 Tl\n0.949365 0.653890 0.082989 Tl\n0.550635 0.153890 0.417011 Tl\n0.915075 0.321255 0.610502 Tl\n0.415075 0.321255 0.889498 Tl\n0.999164 0.074848 0.763595 Tl\n0.499164 0.425152 0.263595 Tl\n0.050635 0.153890 0.082989 Tl\n0.768325 0.406233 0.081139 P\n0.231675 0.593767 0.918861 P\n0.207369 0.516923 0.577620 P\n0.731675 0.593767 0.581139 P\n0.229217 0.303896 0.686100 P\n0.292631 0.016923 0.922380 P\n0.770783 0.803896 0.686100 P\n0.231675 0.906233 0.081139 P\n0.707369 0.983077 0.077620 P\n0.729217 0.196104 0.186100 P\n0.270783 0.803896 0.813900 P\n0.729217 0.303896 0.813900 P\n0.731675 0.906233 0.418861 P\n0.770783 0.696104 0.313900 P\n0.768325 0.093767 0.918861 P\n0.268325 0.406233 0.418861 P\n0.268325 0.093767 0.581139 P\n0.792631 0.483077 0.422380 P\n0.292631 0.483077 0.077620 P\n0.229217 0.196104 0.313900 P\n0.270783 0.696104 0.186100 P\n0.707369 0.516923 0.922380 P\n0.792631 0.016923 0.577620 P\n0.207369 0.983077 0.422380 P\n0.891934 0.678397 0.274091 O\n0.101910 0.612300 0.943383 O\n0.834939 0.260196 0.764760 O\n0.704151 0.113314 0.557257 O\n0.608066 0.178397 0.225909 O\n0.295849 0.886686 0.442743 O\n0.256314 0.501269 0.853797 O\n0.256314 0.998731 0.146203 O\n0.743686 0.001269 0.853797 O\n0.816871 0.932217 0.498152 O\n0.584885 0.951604 0.110723 O\n0.243686 0.498731 0.353797 O\n0.398090 0.112300 0.556617 O\n0.891934 0.821603 0.725909 O\n0.398090 0.387700 0.443383 O\n0.165061 0.739804 0.235240 O\n0.795849 0.886686 0.057257 O\n0.391934 0.678397 0.225909 O\n0.608066 0.321603 0.774091 O\n0.601910 0.887700 0.443383 O\n0.204151 0.113314 0.942743 O\n0.334939 0.260196 0.735240 O\n0.705476 0.281676 0.106777 O\n0.101910 0.887700 0.056617 O\n0.775362 0.424897 0.859525 O\n0.816871 0.567783 0.501848 O\n0.601910 0.612300 0.556617 O\n0.795849 0.613314 0.942743 O\n0.415115 0.048396 0.889277 O\n0.756314 0.501269 0.646203 O\n0.756314 0.998731 0.353797 O\n0.224638 0.575103 0.140475 O\n0.243686 0.001269 0.646203 O\n0.724638 0.924897 0.640475 O\n0.275362 0.424897 0.640475 O\n0.205476 0.281676 0.393223 O\n0.665061 0.739804 0.264760 O\n0.584885 0.548396 0.889277 O\n0.295849 0.613314 0.557257 O\n0.743686 0.498731 0.146203 O\n0.775362 0.075103 0.140475 O\n0.165061 0.760196 0.764760 O\n0.683129 0.067783 0.998152 O\n0.084885 0.548396 0.610723 O\n0.294524 0.781676 0.106777 O\n0.898090 0.387700 0.056617 O\n0.415115 0.451604 0.110723 O\n0.794524 0.781676 0.393223 O\n0.224638 0.924897 0.859525 O\n0.294524 0.718324 0.893223 O\n0.915115 0.048396 0.610723 O\n0.724638 0.575103 0.359525 O\n0.108066 0.178397 0.274091 O\n0.915115 0.451604 0.389277 O\n0.834939 0.239804 0.235240 O\n0.108066 0.321603 0.725909 O\n0.704151 0.386686 0.442743 O\n0.683129 0.432217 0.001848 O\n0.316871 0.567783 0.998152 O\n0.705476 0.218324 0.893223 O\n0.183129 0.432217 0.498152 O\n0.205476 0.218324 0.606777 O\n0.665061 0.760196 0.735240 O\n0.898090 0.112300 0.943383 O\n0.084885 0.951604 0.389277 O\n0.334939 0.239804 0.264760 O\n0.275362 0.075103 0.359525 O\n0.391934 0.821603 0.774091 O\n0.204151 0.386686 0.057257 O\n0.316871 0.932217 0.001848 O\n0.794524 0.718324 0.606777 O\n0.183129 0.067783 0.501848 O\n",
"nsites": 120,
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"elements": [
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"P",
"O"
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"chemical_system": "O-P-Tl",
"density": 5.55550921758248,
"density_atomic": 0.05903553418626978,
"volume": 2032.6740776389734,
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"formula_full": "Tl24 P24 O72",
"formula_reduced": "TlPO3",
"formula_anonymous": "ABC3",
"energy": -812.5736241300001,
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"updated_at": "2021-11-28T01:36:03.626000Z",
"spacegroup": 60
},
{
"id": "mp-638442",
"created_at": "2022-09-04T14:43:11.016268Z",
"structure_string": "Gd2 Al6 Si4 Au1\n1.0\n16.805934 -2.117714 0.000000\n16.805934 2.117714 0.000000\n16.539082 0.000000 3.658268\nGd Al Si Au\n2 6 4 1\ndirect\n0.565616 0.565616 0.565616 Gd\n0.434384 0.434384 0.434384 Gd\n0.185408 0.185408 0.185408 Al\n0.052408 0.052408 0.052408 Al\n0.814592 0.814592 0.814592 Al\n0.947592 0.947592 0.947592 Al\n0.683306 0.683306 0.683306 Al\n0.316694 0.316694 0.316694 Al\n0.733875 0.733875 0.733875 Si\n0.266125 0.266125 0.266125 Si\n0.135433 0.135433 0.135433 Si\n0.864567 0.864567 0.864567 Si\n0.000000 0.000000 0.000000 Au\n",
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"elements": [
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],
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"formula_full": "Gd2 Al6 Si4 Au1",
"formula_reduced": "Gd2Al6Si4Au",
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"updated_at": "2021-11-28T01:36:15.879000Z",
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},
{
"id": "mp-1246085",
"created_at": "2022-09-04T14:43:11.020021Z",
"structure_string": "Sr3 C24 N18\n1.0\n14.498091 0.000070 -0.000125\n-7.248986 12.555731 0.000158\n-0.000032 0.000031 4.210555\nSr C N\n3 24 18\ndirect\n0.000001 0.999998 0.370325 Sr\n0.333333 0.666660 0.678980 Sr\n0.666666 0.333329 0.678981 Sr\n0.999998 0.630235 0.229012 C\n0.630212 0.999994 0.229030 C\n0.369789 0.369785 0.229027 C\n0.999999 0.725808 0.295959 C\n0.725786 0.999995 0.295976 C\n0.274217 0.274213 0.295979 C\n0.097715 0.632931 0.195875 C\n0.535198 0.902275 0.195876 C\n0.367088 0.464802 0.195885 C\n0.902282 0.535215 0.195879 C\n0.632911 0.097712 0.195889 C\n0.464803 0.367079 0.195872 C\n0.705089 0.705088 0.739925 C\n0.000000 0.294907 0.739924 C\n0.294913 0.999999 0.739925 C\n0.798140 0.798141 0.819948 C\n0.000001 0.201853 0.819921 C\n0.201862 0.000001 0.819955 C\n0.609313 0.705532 0.700861 C\n0.096220 0.390682 0.700876 C\n0.294469 0.903781 0.700869 C\n0.390684 0.096216 0.700858 C\n0.705533 0.609312 0.700870 C\n0.903780 0.294464 0.700883 C\n0.000001 0.804968 0.352496 N\n0.804948 0.000001 0.352495 N\n0.195056 0.195057 0.352503 N\n0.181141 0.638541 0.169797 N\n0.457384 0.818845 0.169782 N\n0.361467 0.542614 0.169802 N\n0.818856 0.457398 0.169802 N\n0.638533 0.181145 0.169811 N\n0.542614 0.361460 0.169776 N\n0.876927 0.876925 0.884768 N\n0.000000 0.123065 0.884726 N\n0.123079 0.999998 0.884783 N\n0.528233 0.703491 0.668089 N\n0.175262 0.471757 0.668128 N\n0.296506 0.824741 0.668110 N\n0.471763 0.175256 0.668084 N\n0.703493 0.528233 0.668110 N\n0.824737 0.296497 0.668140 N\n",
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{
"id": "mp-1229075",
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"structure_string": "Al9 Si2 B1 O19\n1.0\n2.896715 7.585793 0.000000\n-2.896715 7.585793 0.000000\n0.000000 0.316890 7.669627\nAl Si B O\n9 2 1 19\ndirect\n0.550692 0.550692 0.832824 Al\n0.438206 0.438206 0.314307 Al\n0.378650 0.864987 0.163890 Al\n0.864987 0.378650 0.163890 Al\n0.629130 0.135761 0.650083 Al\n0.135761 0.629130 0.650083 Al\n0.746781 0.746781 0.852811 Al\n0.204416 0.204416 0.492582 Al\n0.702891 0.702891 0.496803 Al\n0.295534 0.295534 0.996372 Si\n0.049245 0.049245 0.818885 Si\n0.976519 0.976519 0.363334 B\n0.549046 0.549046 0.237016 O\n0.455541 0.455541 0.709735 O\n0.685803 0.685803 0.055675 O\n0.318817 0.318817 0.546159 O\n0.950668 0.950668 0.735863 O\n0.049777 0.049777 0.252114 O\n0.191874 0.191874 0.073113 O\n0.805651 0.805651 0.607803 O\n0.283925 0.822190 0.944950 O\n0.822190 0.283925 0.944950 O\n0.729387 0.148593 0.420503 O\n0.148593 0.729387 0.420503 O\n0.539169 0.078828 0.866892 O\n0.078828 0.539169 0.866892 O\n0.440924 0.933047 0.371809 O\n0.933047 0.440924 0.371809 O\n0.364880 0.364880 0.146872 O\n0.651317 0.651317 0.709285 O\n0.125448 0.125448 0.666588 O\n",
"nsites": 31,
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"elements": [
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],
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"density": 3.02390493377953,
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"volume": 337.06293236096724,
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"formula_full": "Al9 Si2 B1 O19",
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"energy": -249.33828033,
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"spacegroup": 8
},
{
"id": "mp-1069898",
"created_at": "2022-09-04T14:43:11.077618Z",
"structure_string": "La1 Ge3 Os1\n1.0\n-2.234545 2.234545 5.098634\n2.234545 -2.234545 5.098634\n2.234545 2.234545 -5.098634\nLa Ge Os\n1 3 1\ndirect\n0.000348 0.000348 0.000000 La\n0.423600 0.423600 0.000000 Ge\n0.260123 0.760123 0.500000 Ge\n0.760123 0.260123 0.500000 Ge\n0.657806 0.657806 0.000000 Os\n",
"nsites": 5,
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{
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"created_at": "2022-09-04T14:43:11.034986Z",
"structure_string": "Na4 Bi2 P2 C2 O14\n1.0\n6.997348 0.000000 0.000000\n0.000000 5.301619 0.000000\n0.000000 0.305518 9.415384\nNa Bi P C O\n4 2 2 2 14\ndirect\n0.489780 0.233208 0.786764 Na\n0.010220 0.233208 0.786764 Na\n0.510220 0.766792 0.213236 Na\n0.989780 0.766792 0.213236 Na\n0.750000 0.776036 0.619413 Bi\n0.250000 0.223964 0.380587 Bi\n0.250000 0.723407 0.597415 P\n0.750000 0.276593 0.402585 P\n0.750000 0.729011 0.914610 C\n0.250000 0.270989 0.085390 C\n0.250000 0.284876 0.952631 O\n0.750000 0.948214 0.842123 O\n0.750000 0.528273 0.834036 O\n0.072188 0.856230 0.660587 O\n0.427812 0.856230 0.660587 O\n0.750000 0.232870 0.569814 O\n0.250000 0.436410 0.630059 O\n0.750000 0.563590 0.369941 O\n0.250000 0.767130 0.430186 O\n0.572188 0.143770 0.339413 O\n0.927812 0.143770 0.339413 O\n0.250000 0.471727 0.165964 O\n0.250000 0.051786 0.157877 O\n0.750000 0.715124 0.047369 O\n",
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},
{
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