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{
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"results": [
{
"id": "mp-21798",
"created_at": "2022-09-04T14:44:06.018000Z",
"structure_string": "Na8 Mo8 P8 O48\n1.0\n12.221190 0.000000 0.000000\n0.000000 6.455921 0.000000\n0.000000 6.194191 12.271772\nNa Mo P O\n8 8 8 48\ndirect\n0.825418 0.105744 0.846549 Na\n0.325418 0.894256 0.653451 Na\n0.174582 0.894256 0.153451 Na\n0.674582 0.105744 0.346549 Na\n0.702007 0.566401 0.889720 Na\n0.202007 0.433599 0.610280 Na\n0.297993 0.433599 0.110280 Na\n0.797993 0.566401 0.389720 Na\n0.896069 0.643703 0.612757 Mo\n0.396069 0.356297 0.887243 Mo\n0.103931 0.356297 0.387243 Mo\n0.603931 0.643703 0.112757 Mo\n0.604255 0.115254 0.630488 Mo\n0.104255 0.884746 0.869512 Mo\n0.395745 0.884746 0.369512 Mo\n0.895745 0.115254 0.130488 Mo\n0.958950 0.135841 0.622795 P\n0.458950 0.864159 0.877205 P\n0.041050 0.864159 0.377205 P\n0.541050 0.135841 0.122795 P\n0.614274 0.683525 0.562825 P\n0.114274 0.316475 0.937175 P\n0.385726 0.316475 0.437175 P\n0.885726 0.683525 0.062825 P\n0.831477 0.517448 0.740684 O\n0.331477 0.482552 0.759316 O\n0.168523 0.482552 0.259316 O\n0.668523 0.517448 0.240684 O\n0.534159 0.405830 0.857184 O\n0.034159 0.594170 0.642816 O\n0.465841 0.594170 0.142816 O\n0.965841 0.405830 0.357184 O\n0.704235 0.023778 0.732202 O\n0.204235 0.976222 0.767798 O\n0.295765 0.976222 0.267798 O\n0.795765 0.023778 0.232202 O\n0.676742 0.222530 0.507827 O\n0.176742 0.777470 0.992173 O\n0.323258 0.777470 0.492173 O\n0.823258 0.222530 0.007827 O\n0.569063 0.796125 0.937500 O\n0.736456 0.711469 0.529494 O\n0.069063 0.203875 0.562500 O\n0.930937 0.796125 0.437500 O\n0.975020 0.019529 0.746781 O\n0.475020 0.980471 0.753219 O\n0.024980 0.980471 0.253219 O\n0.524980 0.019529 0.246781 O\n0.582210 0.424295 0.628734 O\n0.082210 0.575705 0.871266 O\n0.417790 0.575705 0.371266 O\n0.917790 0.424295 0.128734 O\n0.587505 0.795167 0.639525 O\n0.087505 0.204833 0.860475 O\n0.412495 0.204833 0.360475 O\n0.912495 0.795167 0.139525 O\n0.606206 0.969822 0.088804 O\n0.106206 0.030178 0.411196 O\n0.393794 0.030178 0.911196 O\n0.893794 0.969822 0.588804 O\n0.617231 0.352221 0.088488 O\n0.117231 0.647779 0.411512 O\n0.382769 0.647779 0.911512 O\n0.882769 0.352221 0.588488 O\n0.549737 0.806110 0.456369 O\n0.049737 0.193890 0.043631 O\n0.450263 0.193890 0.543631 O\n0.950263 0.806110 0.956369 O\n0.763544 0.711469 0.029494 O\n0.263544 0.288531 0.470506 O\n0.236456 0.288531 0.970506 O\n0.430937 0.203875 0.062500 O\n",
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"volume": 968.2309951205553,
"volume_molar": 8.09836575112619,
"formula_full": "Na8 Mo8 P8 O48",
"formula_reduced": "NaMoPO6",
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"energy": -547.1803290500001,
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"updated_at": "2021-11-28T01:36:25.308000Z",
"spacegroup": 14
},
{
"id": "mp-849585",
"created_at": "2022-09-04T14:44:06.040071Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n8.811388 0.000000 0.000000\n-2.725121 8.443835 0.000000\n-1.548874 -2.192716 10.123564\nLi Mn B O\n10 12 12 36\ndirect\n0.207457 0.913725 0.189246 Li\n0.906305 0.187880 0.205872 Li\n0.505804 0.522748 0.227316 Li\n0.455431 0.152571 0.438756 Li\n0.152526 0.437201 0.452581 Li\n0.703858 0.405865 0.690030 Li\n0.399460 0.683570 0.704926 Li\n0.013612 0.028822 0.733800 Li\n0.659893 0.938661 0.953300 Li\n0.258890 0.278859 0.981236 Li\n0.820104 0.805527 0.189631 Mn\n0.523637 0.167453 0.151924 Mn\n0.146496 0.537658 0.155744 Mn\n0.769336 0.425279 0.410459 Mn\n0.418099 0.767444 0.414304 Mn\n0.068873 0.060173 0.436490 Mn\n0.015433 0.665402 0.659941 Mn\n0.655023 0.022411 0.660018 Mn\n0.323111 0.307738 0.685007 Mn\n0.271760 0.908849 0.905401 Mn\n0.899311 0.277561 0.909152 Mn\n0.591016 0.564262 0.926279 Mn\n0.464047 0.791693 0.124004 B\n0.797418 0.471668 0.133429 B\n0.002867 0.006085 0.005079 B\n0.246262 0.253725 0.250945 B\n0.707192 0.044914 0.362817 B\n0.041247 0.702515 0.366946 B\n0.489835 0.487156 0.499002 B\n0.290206 0.952054 0.622798 B\n0.957674 0.292893 0.624801 B\n0.744162 0.752783 0.749178 B\n0.219119 0.540994 0.881779 B\n0.542213 0.206545 0.877546 B\n0.873629 0.984375 0.073050 O\n0.479039 0.915597 0.058114 O\n0.105337 0.918178 0.019020 O\n0.814960 0.604781 0.073734 O\n0.574285 0.707468 0.127106 O\n0.909444 0.388847 0.124169 O\n0.336520 0.747382 0.191719 O\n0.673340 0.423255 0.199733 O\n0.275170 0.369257 0.172017 O\n0.812609 0.956715 0.343818 O\n0.043375 0.825597 0.295578 O\n0.722296 0.175402 0.302767 O\n0.339725 0.152006 0.259324 O\n0.940105 0.668592 0.451849 O\n0.147548 0.613490 0.346189 O\n0.518419 0.589488 0.412395 O\n0.122753 0.238270 0.321940 O\n0.593613 0.004769 0.440941 O\n0.974133 0.413922 0.553688 O\n0.578263 0.381552 0.511131 O\n0.395755 0.863582 0.611488 O\n0.368774 0.484768 0.572315 O\n0.794819 0.882246 0.689719 O\n0.298723 0.074655 0.552276 O\n0.815372 0.634138 0.743909 O\n0.838581 0.263186 0.700187 O\n0.178243 0.919946 0.704205 O\n0.058877 0.199162 0.621855 O\n0.616363 0.741557 0.818540 O\n0.219969 0.658302 0.809484 O\n0.556079 0.329928 0.807625 O\n0.324550 0.453994 0.874183 O\n0.649499 0.120453 0.871719 O\n0.423277 0.170774 0.952534 O\n0.107014 0.501907 0.964404 O\n0.030989 0.122532 0.926597 O\n",
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],
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"density": 3.162240494068669,
"density_atomic": 0.09293526543437135,
"volume": 753.2124610913423,
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"formula_full": "Li10 Mn12 B12 O36",
"formula_reduced": "Li5Mn6(BO3)6",
"formula_anonymous": "A5B6C6D18",
"energy": -560.83254494,
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"updated_at": "2021-11-28T01:36:38.365000Z",
"spacegroup": 1
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{
"id": "mp-18310",
"created_at": "2022-09-04T14:44:06.259254Z",
"structure_string": "Si6 Ag6 Sn4 P12\n1.0\n-5.236954 5.236954 5.236954\n5.236954 -5.236954 5.236954\n5.236954 5.236954 -5.236954\nSi Ag Sn P\n6 6 4 12\ndirect\n0.250000 0.750000 0.500000 Si\n0.750000 0.500000 0.250000 Si\n0.750000 0.250000 0.500000 Si\n0.500000 0.250000 0.750000 Si\n0.500000 0.750000 0.250000 Si\n0.250000 0.500000 0.750000 Si\n0.198949 0.000000 0.198949 Ag\n0.000000 0.801051 0.801051 Ag\n0.000000 0.198949 0.198949 Ag\n0.801051 0.801051 0.000000 Ag\n0.801051 0.000000 0.801051 Ag\n0.198949 0.198949 0.000000 Ag\n0.000000 0.000000 0.590468 Sn\n0.590468 0.000000 0.000000 Sn\n0.000000 0.590468 0.000000 Sn\n0.409532 0.409532 0.409532 Sn\n0.000000 0.499128 0.247646 P\n0.499128 0.000000 0.247646 P\n0.500872 0.748518 0.500872 P\n0.247646 0.499128 0.000000 P\n0.748518 0.500872 0.500872 P\n0.251482 0.752354 0.752354 P\n0.752354 0.251482 0.752354 P\n0.247646 0.000000 0.499128 P\n0.500872 0.500872 0.748518 P\n0.000000 0.247646 0.499128 P\n0.752354 0.752354 0.251482 P\n0.499128 0.247646 0.000000 P\n",
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"formula_full": "Si6 Ag6 Sn4 P12",
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"spacegroup": 217
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{
"id": "mp-1012435",
"created_at": "2022-09-04T14:44:06.285882Z",
"structure_string": "Pb2 S2\n1.0\n2.075073 -3.594132 0.000000\n2.075073 3.594132 0.000000\n0.000000 0.000000 7.639411\nPb S\n2 2\ndirect\n0.000000 0.000000 0.489508 Pb\n0.000000 0.000000 0.989508 Pb\n0.333333 0.666667 0.689692 S\n0.666667 0.333333 0.189692 S\n",
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"spacegroup": 186
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{
"id": "mp-1392820",
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"structure_string": "Mn4 Zn1 O8\n1.0\n5.281115 -2.999143 0.000000\n5.281115 2.999143 0.000000\n3.577902 0.000000 4.907510\nMn Zn O\n4 1 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Zn\n0.295824 0.749310 0.749310 O\n0.250690 0.250690 0.704176 O\n0.704176 0.250690 0.250690 O\n0.250690 0.704176 0.250690 O\n0.268876 0.268876 0.268876 O\n0.731124 0.731124 0.731124 O\n0.749310 0.295824 0.749310 O\n0.749310 0.749310 0.295824 O\n",
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{
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"structure_string": "Al4 Tl4 Cl16\n1.0\n7.211595 0.000000 0.000000\n0.000000 9.477818 0.000000\n0.000000 0.000000 11.096319\nAl Tl Cl\n4 4 16\ndirect\n0.250000 0.312666 0.434470 Al\n0.250000 0.187334 0.934470 Al\n0.750000 0.687334 0.565530 Al\n0.750000 0.812666 0.065530 Al\n0.750000 0.184293 0.685953 Tl\n0.250000 0.684293 0.814047 Tl\n0.250000 0.815707 0.314047 Tl\n0.750000 0.315707 0.185953 Tl\n0.493482 0.178899 0.424749 Cl\n0.250000 0.452446 0.281363 Cl\n0.506518 0.678899 0.075251 Cl\n0.993482 0.678899 0.075251 Cl\n0.493482 0.321101 0.924749 Cl\n0.750000 0.547554 0.718637 Cl\n0.250000 0.047554 0.781363 Cl\n0.750000 0.925316 0.897694 Cl\n0.993482 0.821101 0.575251 Cl\n0.506518 0.821101 0.575251 Cl\n0.750000 0.952446 0.218637 Cl\n0.250000 0.074684 0.102306 Cl\n0.006518 0.178899 0.424749 Cl\n0.250000 0.425316 0.602306 Cl\n0.750000 0.574684 0.397694 Cl\n0.006518 0.321101 0.924749 Cl\n",
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{
"id": "mp-1192961",
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"structure_string": "Eu4 Sb8 Se16\n1.0\n0.000000 -4.153655 0.000000\n-12.278893 0.000000 0.000000\n0.000000 0.000000 -15.262684\nEu Sb Se\n4 8 16\ndirect\n0.750000 0.248334 0.157723 Eu\n0.750000 0.748334 0.342277 Eu\n0.250000 0.751666 0.842277 Eu\n0.250000 0.251666 0.657723 Eu\n0.750000 0.435930 0.896337 Sb\n0.750000 0.935930 0.603663 Sb\n0.250000 0.564070 0.103663 Sb\n0.250000 0.064070 0.396337 Sb\n0.750000 0.409653 0.393464 Sb\n0.750000 0.909653 0.106536 Sb\n0.250000 0.590347 0.606536 Sb\n0.250000 0.090347 0.893464 Sb\n0.750000 0.149198 0.524175 Se\n0.750000 0.649198 0.975825 Se\n0.250000 0.850802 0.475825 Se\n0.250000 0.350802 0.024175 Se\n0.750000 0.227309 0.814071 Se\n0.750000 0.727309 0.685929 Se\n0.250000 0.772691 0.185929 Se\n0.250000 0.272691 0.314071 Se\n0.750000 0.426827 0.587046 Se\n0.750000 0.926827 0.912954 Se\n0.250000 0.573173 0.412954 Se\n0.250000 0.073173 0.087046 Se\n0.750000 0.496373 0.214911 Se\n0.750000 0.996373 0.285089 Se\n0.250000 0.503627 0.785089 Se\n0.250000 0.003627 0.714911 Se\n",
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{
"id": "mp-1224189",
"created_at": "2022-09-04T14:44:06.597948Z",
"structure_string": "Ho14 Mg6 Rh4\n1.0\n4.800576 8.299973 0.000000\n-4.800576 8.299973 0.000000\n0.000000 5.561198 7.860890\nHo Mg Rh\n14 6 4\ndirect\n0.652477 0.652477 0.654215 Ho\n0.652778 0.039597 0.656259 Ho\n0.039597 0.652778 0.656259 Ho\n0.654191 0.654191 0.040955 Ho\n0.435578 0.435578 0.060894 Ho\n0.063008 0.436408 0.436440 Ho\n0.436408 0.063008 0.436440 Ho\n0.065425 0.065425 0.433666 Ho\n0.810578 0.810578 0.188205 Ho\n0.188216 0.811352 0.811028 Ho\n0.811352 0.188216 0.811028 Ho\n0.189564 0.189564 0.812567 Ho\n0.810502 0.189930 0.189420 Ho\n0.189930 0.810502 0.189420 Ho\n0.420404 0.420404 0.419274 Mg\n0.420401 0.742140 0.416284 Mg\n0.742140 0.420401 0.416284 Mg\n0.416718 0.416718 0.746108 Mg\n0.436489 0.063974 0.065253 Mg\n0.063974 0.436489 0.065253 Mg\n0.860032 0.860032 0.856263 Rh\n0.856670 0.423005 0.858407 Rh\n0.423005 0.856670 0.858407 Rh\n0.860564 0.860564 0.421670 Rh\n",
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