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{
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"results": [
{
"id": "mp-1215132",
"created_at": "2022-09-04T14:42:19.801323Z",
"structure_string": "Ba4 Cu8 P8\n1.0\n5.364847 0.000000 0.000000\n2.682424 11.939223 0.000000\n2.682424 0.000000 11.108456\nBa Cu P\n4 8 8\ndirect\n0.375000 0.250000 0.250000 Ba\n0.375000 0.750000 0.250000 Ba\n0.375000 0.250000 0.750000 Ba\n0.875000 0.750000 0.750000 Ba\n0.026189 0.275305 0.049519 Cu\n0.924292 0.724695 0.049519 Cu\n0.698506 0.275305 0.950481 Cu\n0.723811 0.224695 0.450481 Cu\n0.351013 0.724695 0.950481 Cu\n0.825708 0.775305 0.450481 Cu\n0.051494 0.224695 0.549519 Cu\n0.398987 0.775305 0.549519 Cu\n0.774698 0.562733 0.086915 P\n0.138387 0.437267 0.086915 P\n0.662569 0.562733 0.913085 P\n0.975302 0.937267 0.413085 P\n0.424345 0.437267 0.913085 P\n0.611613 0.062733 0.413085 P\n0.087431 0.937267 0.586915 P\n0.325655 0.062733 0.586915 P\n",
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{
"id": "mp-1114017",
"created_at": "2022-09-04T14:41:29.643001Z",
"structure_string": "Rb2 Na1 In1 Br6\n1.0\n0.000000 5.623970 5.623970\n5.623970 0.000000 5.623970\n5.623970 5.623970 0.000000\nRb Na In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.759378 0.240622 0.240622 Br\n0.240622 0.240622 0.759378 Br\n0.240622 0.759378 0.759378 Br\n0.240622 0.759378 0.240622 Br\n0.759378 0.240622 0.759378 Br\n0.759378 0.759378 0.240622 Br\n",
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"updated_at": "2021-11-28T01:35:27.765000Z",
"spacegroup": 225
},
{
"id": "mp-1213743",
"created_at": "2022-09-04T14:43:58.942633Z",
"structure_string": "Cs8 Tm4 Cl20\n1.0\n7.562532 0.000000 0.000000\n0.000000 9.762552 0.000000\n0.000000 0.000000 15.419799\nCs Tm Cl\n8 4 20\ndirect\n0.250000 0.664198 0.917108 Cs\n0.750000 0.335802 0.082892 Cs\n0.750000 0.835802 0.417108 Cs\n0.250000 0.164198 0.582892 Cs\n0.250000 0.975262 0.211883 Cs\n0.750000 0.024738 0.788117 Cs\n0.750000 0.524738 0.711883 Cs\n0.250000 0.475262 0.288117 Cs\n0.250000 0.674757 0.563688 Tm\n0.750000 0.325243 0.436312 Tm\n0.750000 0.825243 0.063688 Tm\n0.250000 0.174757 0.936312 Tm\n0.250000 0.521829 0.698506 Cl\n0.750000 0.478171 0.301494 Cl\n0.750000 0.978171 0.198506 Cl\n0.250000 0.021829 0.801494 Cl\n0.499473 0.829049 0.616781 Cl\n0.500527 0.170951 0.383219 Cl\n0.500527 0.670951 0.116781 Cl\n0.999473 0.170951 0.383219 Cl\n0.499473 0.329049 0.883219 Cl\n0.000527 0.829049 0.616781 Cl\n0.000527 0.329049 0.883219 Cl\n0.999473 0.670951 0.116781 Cl\n0.250000 0.784608 0.409370 Cl\n0.750000 0.215392 0.590630 Cl\n0.750000 0.715392 0.909370 Cl\n0.250000 0.284608 0.090630 Cl\n0.000000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.500000 0.000000 0.000000 Cl\n",
"nsites": 32,
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"formula_full": "Cs8 Tm4 Cl20",
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"energy": -144.57729785,
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"spacegroup": 62
},
{
"id": "mp-28679",
"created_at": "2022-09-04T14:42:11.802459Z",
"structure_string": "Na4 Ga4 Br16\n1.0\n7.722672 0.000000 0.000000\n0.000000 7.764936 0.000000\n0.000000 0.000000 14.238862\nNa Ga Br\n4 4 16\ndirect\n0.250000 0.050188 0.651720 Na\n0.750000 0.550188 0.848280 Na\n0.750000 0.949812 0.348280 Na\n0.250000 0.449812 0.151720 Na\n0.250000 0.201605 0.398667 Ga\n0.750000 0.701605 0.101333 Ga\n0.750000 0.798395 0.601333 Ga\n0.250000 0.298395 0.898667 Ga\n0.250000 0.372124 0.534619 Br\n0.750000 0.872124 0.965381 Br\n0.750000 0.627876 0.465381 Br\n0.250000 0.127876 0.034619 Br\n0.250000 0.909676 0.446251 Br\n0.750000 0.409676 0.053749 Br\n0.750000 0.090324 0.553749 Br\n0.250000 0.590324 0.946251 Br\n0.006083 0.238803 0.801657 Br\n0.993917 0.738803 0.698343 Br\n0.506083 0.761197 0.198343 Br\n0.493917 0.261197 0.301657 Br\n0.993917 0.761197 0.198343 Br\n0.006083 0.261197 0.301657 Br\n0.493917 0.238803 0.801657 Br\n0.506083 0.738803 0.698343 Br\n",
"nsites": 24,
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"elements": [
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],
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"volume": 853.8483651555886,
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"formula_full": "Na4 Ga4 Br16",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:35:43.899000Z",
"spacegroup": 62
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{
"id": "mp-8683",
"created_at": "2022-09-04T14:44:29.867304Z",
"structure_string": "K10 As4 Au2\n1.0\n2.901735 -5.025953 0.000000\n2.901735 5.025953 0.000000\n0.000000 0.000000 19.517488\nK As Au\n10 4 2\ndirect\n0.333333 0.666667 0.549250 K\n0.666667 0.333333 0.049250 K\n0.666667 0.333333 0.450750 K\n0.333333 0.666667 0.950750 K\n0.000000 0.000000 0.145316 K\n0.000000 0.000000 0.645316 K\n0.000000 0.000000 0.854684 K\n0.000000 0.000000 0.354684 K\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.120978 As\n0.666667 0.333333 0.620978 As\n0.333333 0.666667 0.379022 As\n0.666667 0.333333 0.879022 As\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n",
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"density": 3.163658707277735,
"density_atomic": 0.028105408041610342,
"volume": 569.2854548246315,
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"formula_full": "K10 As4 Au2",
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"energy": -43.3348669,
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"spacegroup": 194
},
{
"id": "mp-1199056",
"created_at": "2022-09-04T14:47:15.447875Z",
"structure_string": "Rb16 Ge16\n1.0\n-5.594419 5.594419 9.095425\n5.594419 -5.594419 9.095425\n5.594419 5.594419 -9.095425\nRb Ge\n16 16\ndirect\n0.265770 0.875000 0.890770 Rb\n0.765770 0.875000 0.390770 Rb\n0.125000 0.015770 0.390770 Rb\n0.625000 0.234230 0.109230 Rb\n0.484230 0.375000 0.609230 Rb\n0.984230 0.375000 0.109230 Rb\n0.125000 0.515770 0.890770 Rb\n0.625000 0.734230 0.609230 Rb\n0.370397 0.370397 0.240793 Rb\n0.870397 0.629603 0.000000 Rb\n0.620397 0.120397 0.740793 Rb\n0.120397 0.379603 0.500000 Rb\n0.379603 0.879603 0.259207 Rb\n0.879603 0.620397 0.500000 Rb\n0.129603 0.129603 0.759207 Rb\n0.629603 0.870397 0.000000 Rb\n0.008458 0.848455 0.958147 Ge\n0.508458 0.550311 0.160004 Ge\n0.098455 0.758458 0.458147 Ge\n0.598455 0.140307 0.339996 Ge\n0.741542 0.401545 0.541853 Ge\n0.241542 0.699689 0.339996 Ge\n0.651545 0.491542 0.041853 Ge\n0.151545 0.109693 0.160004 Ge\n0.390307 0.348455 0.839996 Ge\n0.890307 0.050311 0.041853 Ge\n0.800311 0.258458 0.660004 Ge\n0.300311 0.640307 0.541853 Ge\n0.359693 0.901545 0.660004 Ge\n0.859693 0.199689 0.458147 Ge\n0.949689 0.991542 0.839996 Ge\n0.449689 0.609693 0.958147 Ge\n",
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"formula_full": "Rb16 Ge16",
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"spacegroup": 142
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{
"id": "mp-1185093",
"created_at": "2022-09-04T14:43:14.705690Z",
"structure_string": "K3 Os1\n1.0\n-2.983042 2.983042 3.998870\n2.983042 -2.983042 3.998870\n2.983042 2.983042 -3.998870\nK Os\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Os\n",
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{
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"structure_string": "As1 S24 I3\n1.0\n7.717997 -13.043293 0.000000\n7.717997 13.043293 0.000000\n-14.324962 0.000000 4.948778\nAs S I\n1 24 3\ndirect\n0.760317 0.760317 0.760317 As\n0.805498 0.522630 0.522630 S\n0.522630 0.522630 0.805498 S\n0.522630 0.805498 0.522630 S\n0.243146 0.371799 0.632433 S\n0.359550 0.957629 0.359550 S\n0.359550 0.359550 0.957629 S\n0.957629 0.359550 0.359550 S\n0.128325 0.740522 0.257117 S\n0.257117 0.128325 0.740522 S\n0.740522 0.257117 0.128325 S\n0.740522 0.128325 0.257117 S\n0.257117 0.740522 0.128325 S\n0.128325 0.257117 0.740522 S\n0.349009 0.880471 0.531123 S\n0.531123 0.349009 0.880471 S\n0.880471 0.531123 0.349009 S\n0.880471 0.349009 0.531123 S\n0.531123 0.880471 0.349009 S\n0.349009 0.531123 0.880471 S\n0.243146 0.632433 0.371799 S\n0.371799 0.243146 0.632433 S\n0.632433 0.371799 0.243146 S\n0.632433 0.243146 0.371799 S\n0.371799 0.632433 0.243146 S\n0.886885 0.041359 0.041359 I\n0.041359 0.041359 0.886885 I\n0.041359 0.886885 0.041359 I\n",
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"spacegroup": 160
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{
"id": "mp-1229286",
"created_at": "2022-09-04T14:44:13.568661Z",
"structure_string": "Ba51 Pd24 O10\n1.0\n-7.963381 -7.961251 0.022149\n0.040027 7.943232 -7.939914\n15.994870 -15.946271 -16.019380\nBa Pd O\n51 24 10\ndirect\n0.333352 0.666845 0.916234 Ba\n0.999300 -0.000029 0.250307 Ba\n0.666745 0.333534 0.583425 Ba\n0.130967 0.868133 0.967291 Ba\n0.798425 0.201524 0.300653 Ba\n0.464628 0.535176 0.634100 Ba\n0.131341 0.262348 0.967038 Ba\n0.797267 0.596032 0.300612 Ba\n0.465100 0.929893 0.633746 Ba\n0.333109 0.666332 0.765387 Ba\n0.000291 0.999742 0.099307 Ba\n0.666547 0.333063 0.432101 Ba\n0.736435 0.867806 0.967267 Ba\n0.403261 0.201814 0.300481 Ba\n0.070467 0.535090 0.633930 Ba\n0.788876 0.576358 0.886916 Ba\n0.456626 0.911783 0.219103 Ba\n0.121780 0.243218 0.553676 Ba\n0.563478 0.463714 0.774939 Ba\n0.218499 0.782005 0.109258 Ba\n0.896991 0.130597 0.441661 Ba\n0.432080 0.214634 0.891825 Ba\n0.087744 0.542457 0.219117 Ba\n0.766499 0.882046 0.558361 Ba\n0.549947 0.099530 0.775551 Ba\n0.198284 0.432114 0.108997 Ba\n0.883528 0.765999 0.442134 Ba\n0.783173 0.216358 0.892503 Ba\n0.448405 0.550173 0.224257 Ba\n0.115891 0.881834 0.558486 Ba\n0.900318 0.463972 0.774867 Ba\n0.567350 0.801076 0.109064 Ba\n0.234129 0.131223 0.441726 Ba\n0.876185 0.752667 0.696070 Ba\n0.542090 0.084810 0.030733 Ba\n0.209058 0.419705 0.362567 Ba\n0.104472 0.866365 0.809411 Ba\n0.783047 0.216499 0.141703 Ba\n0.437883 0.533479 0.476096 Ba\n0.238369 0.119251 0.690684 Ba\n0.915063 0.458445 0.030726 Ba\n0.573116 0.787221 0.357174 Ba\n0.119745 0.239254 0.809468 Ba\n0.803973 0.571062 0.142305 Ba\n0.452924 0.905603 0.476139 Ba\n0.881061 0.119191 0.690506 Ba\n0.549628 0.451879 0.025044 Ba\n0.214094 0.784795 0.357333 Ba\n0.762381 0.866335 0.809304 Ba\n0.428395 0.196116 0.142233 Ba\n0.095598 0.532737 0.476154 Ba\n0.477658 0.517094 0.880143 Pd\n0.148265 0.855626 0.213996 Pd\n0.811108 0.184270 0.546879 Pd\n0.479675 0.959824 0.879247 Pd\n0.148657 0.292310 0.213580 Pd\n0.812645 0.626072 0.546274 Pd\n0.664558 0.330268 0.693241 Pd\n0.336537 0.665583 0.026133 Pd\n0.997263 0.996200 0.359971 Pd\n0.040355 0.518187 0.879198 Pd\n0.706850 0.851661 0.214376 Pd\n0.372598 0.184334 0.547216 Pd\n0.194832 0.807922 0.701352 Pd\n0.860823 0.139756 0.034128 Pd\n0.527050 0.473889 0.368044 Pd\n0.193196 0.386194 0.701632 Pd\n0.860568 0.721914 0.034654 Pd\n0.526670 0.052885 0.368443 Pd\n0.000418 0.001215 0.895008 Pd\n0.666232 0.334196 0.228661 Pd\n0.334067 0.668240 0.561658 Pd\n0.612741 0.807592 0.701400 Pd\n0.279619 0.140387 0.034000 Pd\n0.945472 0.473425 0.368640 Pd\n0.663365 0.327034 0.834265 O\n0.336126 0.663749 0.168267 O\n0.996636 0.993923 0.501053 O\n0.001236 0.002564 0.748968 O\n0.666047 0.335456 0.081862 O\n0.334304 0.669585 0.415598 O\n0.501146 0.000714 0.125066 O\n0.166868 0.333544 0.457966 O\n0.833788 0.667027 0.791303 O\n0.999379 0.498884 0.125141 O\n",
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],
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