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{
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"results": [
{
"id": "mp-8331",
"created_at": "2022-09-04T14:48:08.378914Z",
"structure_string": "Li24 Mg6 Si8\n1.0\n-5.342456 5.342456 5.342456\n5.342456 -5.342456 5.342456\n5.342456 5.342456 -5.342456\nLi Mg Si\n24 6 8\ndirect\n0.656445 0.187409 0.269756 Li\n0.613311 0.343555 0.030965 Li\n0.812591 0.582346 0.469035 Li\n0.917654 0.730244 0.886689 Li\n0.582346 0.469035 0.812591 Li\n0.030965 0.613311 0.343555 Li\n0.730244 0.886689 0.917654 Li\n0.969035 0.082346 0.312591 Li\n0.386689 0.230244 0.417654 Li\n0.230244 0.417654 0.386689 Li\n0.113311 0.530965 0.843555 Li\n0.269756 0.656445 0.187409 Li\n0.187409 0.269756 0.656445 Li\n0.312591 0.969035 0.082346 Li\n0.530965 0.843555 0.113311 Li\n0.417654 0.386689 0.230244 Li\n0.843555 0.113311 0.530965 Li\n0.082346 0.312591 0.969035 Li\n0.687409 0.156445 0.769756 Li\n0.343555 0.030965 0.613311 Li\n0.469035 0.812591 0.582346 Li\n0.886689 0.917654 0.730244 Li\n0.156445 0.769756 0.687409 Li\n0.769756 0.687409 0.156445 Li\n0.625000 0.750000 0.375000 Mg\n0.750000 0.375000 0.625000 Mg\n0.250000 0.125000 0.875000 Mg\n0.375000 0.625000 0.750000 Mg\n0.125000 0.875000 0.250000 Mg\n0.875000 0.250000 0.125000 Mg\n0.500000 0.000000 0.406448 Si\n0.906448 0.500000 0.000000 Si\n0.000000 0.906448 0.500000 Si\n0.593552 0.593552 0.593552 Si\n0.000000 0.406448 0.500000 Si\n0.093552 0.093552 0.093552 Si\n0.406448 0.500000 0.000000 Si\n0.500000 0.000000 0.906448 Si\n",
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"formula_full": "Li24 Mg6 Si8",
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"updated_at": "2021-11-28T01:38:28.219000Z",
"spacegroup": 220
},
{
"id": "mp-1233615",
"created_at": "2022-09-04T14:48:10.264228Z",
"structure_string": "Mg1 Si2 Ag8 O8\n1.0\n5.107323 0.000000 0.000000\n0.000000 7.711602 0.000000\n0.000000 0.000000 7.711602\nMg Si Ag O\n1 2 8 8\ndirect\n0.750000 0.750000 0.750000 Mg\n0.750000 0.250000 0.250000 Si\n0.250000 0.750000 0.750000 Si\n0.238426 0.156791 0.565875 Ag\n0.833667 0.626481 0.116380 Ag\n0.833667 0.873519 0.383620 Ag\n0.666333 0.383620 0.626481 Ag\n0.666333 0.116380 0.873519 Ag\n0.261574 0.565875 0.343209 Ag\n0.238426 0.343209 0.934125 Ag\n0.261574 0.934125 0.156791 Ag\n0.454878 0.591555 0.800702 O\n0.939969 0.317340 0.412481 O\n0.045122 0.800702 0.908445 O\n0.560031 0.412481 0.182660 O\n0.939969 0.182660 0.087519 O\n0.454878 0.908445 0.699298 O\n0.045122 0.699298 0.591555 O\n0.560031 0.087519 0.317340 O\n",
"nsites": 19,
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"elements": [
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"Ag",
"O"
],
"chemical_system": "Ag-Mg-O-Si",
"density": 5.857671466382222,
"density_atomic": 0.06255630115777704,
"volume": 303.7263976346515,
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"formula_full": "Mg1 Si2 Ag8 O8",
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"formula_anonymous": "AB2C8D8",
"energy": -99.27675916,
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"updated_at": "2021-11-28T01:38:28.222000Z",
"spacegroup": 81
},
{
"id": "mp-1201453",
"created_at": "2022-09-04T14:47:59.605739Z",
"structure_string": "Mn2 Zn2 H44 C10 N20 Cl8 O12\n1.0\n7.820631 0.000000 0.000000\n-2.651868 12.245170 0.000000\n-3.086507 -5.430898 12.432448\nMn Zn H C N Cl O\n2 2 44 10 20 8 12\ndirect\n0.972573 0.773999 0.749275 Mn\n0.027427 0.226001 0.250725 Mn\n0.538215 0.277832 0.699424 Zn\n0.461785 0.722168 0.300576 Zn\n0.022252 0.785807 0.383920 H\n0.977748 0.214193 0.616080 H\n0.889572 0.862003 0.449984 H\n0.110428 0.137997 0.550016 H\n0.222238 0.719015 0.601360 H\n0.777762 0.280985 0.398640 H\n0.218833 0.706541 0.471549 H\n0.781167 0.293459 0.528451 H\n0.470922 0.909853 0.810801 H\n0.529078 0.090147 0.189199 H\n0.475494 0.000591 0.741380 H\n0.524506 0.999409 0.258620 H\n0.796377 0.910085 0.623801 H\n0.203623 0.089915 0.376199 H\n0.647629 0.997742 0.633801 H\n0.352371 0.002258 0.366199 H\n0.483025 0.556871 0.768891 H\n0.516975 0.443129 0.231109 H\n0.530040 0.692345 0.754745 H\n0.469960 0.307655 0.245255 H\n0.030841 0.545932 0.775407 H\n0.969159 0.454068 0.224593 H\n0.193733 0.469448 0.773057 H\n0.806267 0.530552 0.226943 H\n0.278079 0.114067 0.062502 H\n0.721921 0.885933 0.937498 H\n0.339227 0.219126 0.012968 H\n0.660773 0.780874 0.987032 H\n0.141022 0.022500 0.739825 H\n0.858978 0.977500 0.260175 H\n0.273827 0.168510 0.830699 H\n0.726173 0.831490 0.169301 H\n0.933634 0.620045 0.054455 H\n0.066366 0.379955 0.945545 H\n0.774424 0.540473 0.924976 H\n0.225576 0.459527 0.075024 H\n0.162521 0.792488 0.090113 H\n0.837479 0.207512 0.909887 H\n0.168631 0.847159 0.989142 H\n0.831369 0.152841 0.010858 H\n0.723243 0.539574 0.611597 H\n0.276757 0.460426 0.388403 H\n0.731143 0.618689 0.544932 H\n0.268857 0.381311 0.455068 H\n0.056422 0.800517 0.539486 C\n0.943578 0.199483 0.460514 C\n0.664288 0.910452 0.734796 C\n0.335712 0.089548 0.265204 C\n0.269785 0.630683 0.760783 C\n0.730215 0.369317 0.239217 C\n0.211931 0.047642 0.898588 C\n0.788069 0.952358 0.101412 C\n0.964608 0.691324 0.942581 C\n0.035392 0.308676 0.057419 C\n0.986528 0.819129 0.451446 N\n0.013472 0.180871 0.548554 N\n0.179068 0.739621 0.537397 N\n0.820932 0.260379 0.462603 N\n0.545689 0.958651 0.780139 N\n0.454311 0.041349 0.219861 N\n0.716205 0.949115 0.663499 N\n0.283795 0.050885 0.336501 N\n0.443712 0.628704 0.767081 N\n0.556288 0.371296 0.232919 N\n0.149987 0.536502 0.761485 N\n0.850013 0.463498 0.238515 N\n0.304028 0.131473 0.999905 N\n0.695972 0.868527 0.000095 N\n0.206113 0.082964 0.816945 N\n0.793887 0.917036 0.183055 N\n0.879101 0.614359 0.978558 N\n0.120899 0.385641 0.021442 N\n0.116835 0.781335 0.011873 N\n0.883165 0.218665 0.988127 N\n0.510436 0.371173 0.581716 Cl\n0.489564 0.628827 0.418284 Cl\n0.373109 0.080767 0.608181 Cl\n0.626891 0.919233 0.391819 Cl\n0.845603 0.292962 0.759816 Cl\n0.154397 0.707038 0.240184 Cl\n0.441104 0.367911 0.839736 Cl\n0.558896 0.632089 0.160264 Cl\n0.007915 0.841404 0.623515 O\n0.992085 0.158596 0.376485 O\n0.726944 0.836297 0.764395 O\n0.273056 0.163703 0.235605 O\n0.223145 0.720299 0.753698 O\n0.776855 0.279701 0.246302 O\n0.140393 0.939797 0.883506 O\n0.859607 0.060203 0.116494 O\n0.899505 0.677257 0.845025 O\n0.100495 0.322743 0.154975 O\n0.803488 0.608523 0.606821 O\n0.196512 0.391477 0.393179 O\n",
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"elements": [
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"Zn",
"H",
"C",
"N",
"Cl",
"O"
],
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"density_atomic": 0.08231193482561111,
"volume": 1190.5928369637545,
"volume_molar": 7.316242502085164,
"formula_full": "Mn2 Zn2 H44 C10 N20 Cl8 O12",
"formula_reduced": "MnZnH22C5N10(Cl2O3)2",
"formula_anonymous": "ABC4D5E6F10G22",
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"spacegroup": 2
},
{
"id": "mp-1184332",
"created_at": "2022-09-04T14:48:00.612446Z",
"structure_string": "Eu3 Ti1\n1.0\n5.167305 0.000000 0.000000\n0.000000 5.167305 0.000000\n0.000000 0.000000 5.167305\nEu Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Ti\n",
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"volume": 137.97242247344388,
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"formula_full": "Eu3 Ti1",
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{
"id": "mp-27465",
"created_at": "2022-09-04T14:48:07.612348Z",
"structure_string": "S32 O4\n1.0\n8.532975 0.000000 0.000000\n0.000000 8.724481 0.000000\n0.000000 0.000000 14.212353\nS O\n32 4\ndirect\n0.532585 0.492050 0.361930 S\n0.467415 0.992050 0.638070 S\n0.467415 0.492050 0.861930 S\n0.532585 0.992050 0.138070 S\n0.490326 0.355050 0.471964 S\n0.509674 0.855050 0.528036 S\n0.509674 0.355050 0.971964 S\n0.490326 0.855050 0.028036 S\n0.640045 0.411532 0.583379 S\n0.359955 0.911532 0.416621 S\n0.359955 0.411532 0.083379 S\n0.640045 0.911532 0.916621 S\n0.821001 0.256089 0.585126 S\n0.178999 0.756089 0.414874 S\n0.178999 0.256089 0.085126 S\n0.821001 0.756089 0.914874 S\n0.014420 0.353478 0.523702 S\n0.985580 0.853478 0.476298 S\n0.985580 0.353478 0.023702 S\n0.014420 0.853478 0.976298 S\n0.026757 0.283898 0.382863 S\n0.973243 0.783898 0.617137 S\n0.973243 0.283898 0.882863 S\n0.026757 0.783898 0.117137 S\n0.931999 0.445421 0.300669 S\n0.068001 0.945421 0.699331 S\n0.068001 0.445421 0.800669 S\n0.931999 0.945421 0.199331 S\n0.691161 0.850428 0.230514 S\n0.308839 0.350428 0.769486 S\n0.308839 0.850428 0.730514 S\n0.691161 0.350428 0.269486 S\n0.689548 0.693253 0.190608 O\n0.310452 0.193253 0.809392 O\n0.310452 0.693253 0.690608 O\n0.689548 0.193253 0.309392 O\n",
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{
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"structure_string": "Y2 Fe4\n1.0\n0.000000 3.645931 3.645931\n3.645931 0.000000 3.645931\n3.645931 3.645931 0.000000\nY Fe\n2 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Y\n0.625000 0.625000 0.125000 Fe\n0.625000 0.125000 0.625000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.625000 0.625000 Fe\n",
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{
"id": "mp-1080172",
"created_at": "2022-09-04T14:47:58.478059Z",
"structure_string": "Ti2 N4\n1.0\n-2.174056 2.174056 2.661905\n2.174056 -2.174056 2.661905\n2.174056 2.174056 -2.661905\nTi N\n2 4\ndirect\n0.250000 0.250000 0.000000 Ti\n0.750000 0.750000 0.000000 Ti\n0.112517 0.387483 0.500000 N\n0.887483 0.612517 0.500000 N\n0.612517 0.112517 0.725035 N\n0.387483 0.887483 0.274965 N\n",
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],
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"volume": 50.32618346420951,
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"formula_full": "Ti2 N4",
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"updated_at": "2021-11-28T01:38:28.231000Z",
"spacegroup": 140
},
{
"id": "mp-4587",
"created_at": "2022-09-04T14:48:09.124705Z",
"structure_string": "Dy1 Ni1 C2\n1.0\n2.258218 -3.002196 0.000000\n2.258218 3.002196 0.000000\n0.000000 0.000000 3.594192\nDy Ni C\n1 1 2\ndirect\n0.997879 0.002121 0.000000 Dy\n0.386394 0.613606 0.500000 Ni\n0.545800 0.150073 0.500000 C\n0.849927 0.454200 0.500000 C\n",
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"spacegroup": 38
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{
"id": "mp-759392",
"created_at": "2022-09-04T14:48:10.706925Z",
"structure_string": "Li8 Mn4 F20\n1.0\n5.136198 0.000000 0.000000\n0.000000 7.416450 0.000000\n0.000000 3.349641 9.347101\nLi Mn F\n8 4 20\ndirect\n0.744769 0.472004 0.254585 Li\n0.755231 0.972004 0.254585 Li\n0.301522 0.377178 0.519278 Li\n0.801522 0.122822 0.480722 Li\n0.198478 0.877178 0.519278 Li\n0.698478 0.622822 0.480722 Li\n0.244769 0.027996 0.745415 Li\n0.255231 0.527996 0.745415 Li\n0.244779 0.214231 0.143172 Mn\n0.255221 0.714231 0.143172 Mn\n0.744779 0.285769 0.856828 Mn\n0.755221 0.785769 0.856828 Mn\n0.575965 0.166995 0.035462 F\n0.924035 0.666995 0.035462 F\n0.409047 0.461414 0.143177 F\n0.090953 0.961414 0.143177 F\n0.926831 0.241191 0.244002 F\n0.421095 0.081955 0.308082 F\n0.573169 0.741191 0.244002 F\n0.078905 0.581955 0.308082 F\n0.642931 0.371137 0.446951 F\n0.857069 0.871137 0.446951 F\n0.142931 0.128863 0.553049 F\n0.357069 0.628863 0.553049 F\n0.921095 0.418045 0.691918 F\n0.426831 0.258809 0.755998 F\n0.578905 0.918045 0.691918 F\n0.073169 0.758809 0.755998 F\n0.909047 0.038586 0.856823 F\n0.590953 0.538586 0.856823 F\n0.075965 0.333005 0.964538 F\n0.424035 0.833005 0.964538 F\n",
"nsites": 32,
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],
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"density": 3.0559074496513885,
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