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"results": [
{
"id": "mp-1179371",
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"structure_string": "Sr1 H16 O10\n1.0\n4.563258 4.437778 0.000000\n-4.563258 4.437778 0.000000\n0.000000 0.143979 6.792341\nSr H O\n1 16 10\ndirect\n0.990011 0.009989 0.000000 Sr\n0.669119 0.664548 0.199587 H\n0.727200 0.850705 0.348733 H\n0.335324 0.325458 0.194313 H\n0.286468 0.094815 0.292177 H\n0.102348 0.713726 0.292475 H\n0.324251 0.671461 0.184238 H\n0.676408 0.340643 0.196214 H\n0.893545 0.301707 0.305973 H\n0.335452 0.330881 0.800413 H\n0.149295 0.272800 0.651267 H\n0.674542 0.664676 0.805687 H\n0.905185 0.713532 0.707823 H\n0.659357 0.323592 0.803786 H\n0.698293 0.106455 0.694027 H\n0.328539 0.675749 0.815762 H\n0.286274 0.897652 0.707525 H\n0.495923 0.503802 0.109932 O\n0.496198 0.504077 0.890068 O\n0.789033 0.755622 0.253812 O\n0.220243 0.224421 0.248599 O\n0.227913 0.784344 0.235293 O\n0.774979 0.229738 0.244261 O\n0.244378 0.210967 0.746188 O\n0.775579 0.779757 0.751401 O\n0.770262 0.225021 0.755739 O\n0.215656 0.772087 0.764707 O\n",
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{
"id": "mp-1211541",
"created_at": "2022-09-04T14:44:52.509931Z",
"structure_string": "Li24 Sm4 B12 O36\n1.0\n16.594935 0.000000 0.000000\n0.000000 6.789635 0.000000\n0.000000 1.983548 7.048731\nLi Sm B O\n24 4 12 36\ndirect\n0.966135 0.946150 0.193309 Li\n0.033865 0.053850 0.806691 Li\n0.466135 0.553850 0.806691 Li\n0.533865 0.446150 0.193309 Li\n0.554349 0.911241 0.637253 Li\n0.445651 0.088759 0.362747 Li\n0.054349 0.588759 0.362747 Li\n0.945651 0.411241 0.637253 Li\n0.469978 0.831322 0.043034 Li\n0.530022 0.168678 0.956966 Li\n0.969978 0.668678 0.956966 Li\n0.030022 0.331322 0.043034 Li\n0.706853 0.865189 0.790499 Li\n0.293147 0.134811 0.209501 Li\n0.206853 0.634811 0.209501 Li\n0.793147 0.365189 0.790499 Li\n0.796600 0.955035 0.060735 Li\n0.203400 0.044965 0.939265 Li\n0.296600 0.544965 0.939265 Li\n0.703400 0.455035 0.060735 Li\n0.995657 0.822925 0.574389 Li\n0.004343 0.177075 0.425611 Li\n0.495657 0.677075 0.425611 Li\n0.504343 0.322925 0.574389 Li\n0.689910 0.652624 0.422177 Sm\n0.310090 0.347376 0.577823 Sm\n0.189910 0.847376 0.577823 Sm\n0.810090 0.152624 0.422177 Sm\n0.881002 0.000704 0.790669 B\n0.118998 0.999296 0.209331 B\n0.381002 0.499296 0.209331 B\n0.618998 0.500704 0.790669 B\n0.615265 0.812535 0.059132 B\n0.384735 0.187465 0.940868 B\n0.115265 0.687465 0.940868 B\n0.884735 0.312535 0.059132 B\n0.865910 0.662107 0.418259 B\n0.134090 0.337893 0.581741 B\n0.365910 0.837893 0.581741 B\n0.634090 0.162107 0.418259 B\n0.947664 0.675257 0.414270 O\n0.052336 0.324743 0.585730 O\n0.447664 0.824743 0.585730 O\n0.552336 0.175257 0.414270 O\n0.697944 0.774564 0.076475 O\n0.302056 0.225436 0.923525 O\n0.197944 0.725436 0.923525 O\n0.802056 0.274564 0.076475 O\n0.816670 0.833275 0.351839 O\n0.183330 0.166725 0.648161 O\n0.316670 0.666725 0.648161 O\n0.683330 0.333275 0.351839 O\n0.568471 0.729767 0.220604 O\n0.431529 0.270233 0.779396 O\n0.068471 0.770233 0.779396 O\n0.931529 0.229767 0.220604 O\n0.413876 0.586113 0.034541 O\n0.586124 0.413887 0.965459 O\n0.913876 0.913887 0.965459 O\n0.086124 0.086113 0.034541 O\n0.579007 0.925278 0.894248 O\n0.420993 0.074722 0.105752 O\n0.079007 0.574722 0.105752 O\n0.920993 0.425278 0.894248 O\n0.427602 0.457162 0.374658 O\n0.572398 0.542838 0.625342 O\n0.927602 0.042838 0.625342 O\n0.072398 0.957162 0.374658 O\n0.672906 0.974885 0.498424 O\n0.327094 0.025115 0.501576 O\n0.172906 0.525115 0.501576 O\n0.827094 0.474885 0.498424 O\n0.200491 0.944675 0.232584 O\n0.799509 0.055325 0.767416 O\n0.700491 0.555325 0.767416 O\n0.299509 0.444675 0.232584 O\n",
"nsites": 76,
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"elements": [
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],
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"volume": 794.2055553291593,
"volume_molar": 6.2931811139028495,
"formula_full": "Li24 Sm4 B12 O36",
"formula_reduced": "Li6Sm(BO3)3",
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"energy": -537.1317413099999,
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"updated_at": "2021-11-28T01:36:42.398000Z",
"spacegroup": 14
},
{
"id": "mp-1208280",
"created_at": "2022-09-04T14:44:55.061483Z",
"structure_string": "Ti8 Ag8 P8 O40\n1.0\n6.336056 0.000000 0.000000\n0.000000 10.704568 0.000000\n0.000000 0.000000 12.676933\nTi Ag P O\n8 8 8 40\ndirect\n0.293954 0.236870 0.276322 Ti\n0.706046 0.736870 0.723678 Ti\n0.206046 0.236870 0.776322 Ti\n0.793954 0.736870 0.223678 Ti\n0.532477 0.002746 0.129238 Ti\n0.467523 0.502746 0.870762 Ti\n0.967523 0.002746 0.629238 Ti\n0.032477 0.502746 0.370762 Ti\n0.244641 0.607485 0.112360 Ag\n0.755359 0.107485 0.887640 Ag\n0.255359 0.607485 0.612360 Ag\n0.744641 0.107485 0.387640 Ag\n0.813332 0.296184 0.148598 Ag\n0.186668 0.796184 0.851402 Ag\n0.686668 0.296184 0.648598 Ag\n0.313332 0.796184 0.351402 Ag\n0.345033 0.272627 0.021444 P\n0.654967 0.772627 0.978556 P\n0.154967 0.272627 0.521444 P\n0.845033 0.772627 0.478556 P\n0.036625 0.004963 0.183427 P\n0.963375 0.504963 0.816573 P\n0.463375 0.004963 0.683427 P\n0.536625 0.504963 0.316573 P\n0.210690 0.268340 0.123519 O\n0.789310 0.768340 0.876481 O\n0.289310 0.268340 0.623519 O\n0.710690 0.768340 0.376481 O\n0.227576 0.998919 0.108405 O\n0.772424 0.498919 0.891595 O\n0.272424 0.998919 0.608405 O\n0.727576 0.498919 0.391595 O\n0.072151 0.102632 0.272966 O\n0.927849 0.602632 0.727034 O\n0.427849 0.102632 0.772966 O\n0.572151 0.602632 0.227034 O\n0.505846 0.375256 0.264065 O\n0.494154 0.875256 0.735935 O\n0.994154 0.375256 0.764065 O\n0.005846 0.875256 0.235935 O\n0.073179 0.408844 0.507348 O\n0.926821 0.908844 0.492652 O\n0.426821 0.408844 0.007348 O\n0.573179 0.908844 0.992652 O\n0.303181 0.234589 0.428753 O\n0.696819 0.734589 0.571247 O\n0.196819 0.234589 0.928753 O\n0.803181 0.734589 0.071247 O\n0.058778 0.368214 0.293019 O\n0.941222 0.868214 0.706981 O\n0.441222 0.368214 0.793019 O\n0.558778 0.868214 0.206981 O\n0.535189 0.181030 0.029223 O\n0.464811 0.681030 0.970777 O\n0.964811 0.181030 0.529223 O\n0.035189 0.681030 0.470777 O\n0.502306 0.122729 0.248010 O\n0.497694 0.622729 0.751990 O\n0.997694 0.122729 0.748010 O\n0.002306 0.622729 0.251990 O\n0.341033 0.544672 0.380663 O\n0.658967 0.044672 0.619337 O\n0.158967 0.544672 0.880663 O\n0.841033 0.044672 0.119337 O\n",
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"spacegroup": 33
},
{
"id": "mp-1209222",
"created_at": "2022-09-04T14:45:00.683303Z",
"structure_string": "Rb2 Lu2 Be2 F12\n1.0\n0.000000 -5.780212 0.000000\n-5.941961 0.000000 2.635896\n-0.024654 0.000000 -7.091957\nRb Lu Be F\n2 2 2 12\ndirect\n0.750000 0.076202 0.208302 Rb\n0.250000 0.923798 0.791698 Rb\n0.750000 0.392342 0.821759 Lu\n0.250000 0.607658 0.178241 Lu\n0.750000 0.764532 0.535445 Be\n0.250000 0.235468 0.464555 Be\n0.969469 0.759250 0.401201 F\n0.030531 0.240750 0.598799 F\n0.469469 0.240750 0.598799 F\n0.530531 0.759250 0.401201 F\n0.750000 0.565861 0.601296 F\n0.250000 0.434139 0.398704 F\n0.999457 0.670379 0.967514 F\n0.000543 0.329621 0.032486 F\n0.499457 0.329621 0.032486 F\n0.500543 0.670379 0.967514 F\n0.750000 0.995244 0.733296 F\n0.250000 0.004756 0.266704 F\n",
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{
"id": "mp-774757",
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"structure_string": "Na12 P4 H48 C4 O44\n1.0\n12.365720 0.000000 0.000000\n0.000000 8.987625 0.000000\n0.000000 6.463462 10.095674\nNa P H C O\n12 4 48 4 44\ndirect\n0.068998 0.343384 0.759171 Na\n0.759545 0.358441 0.773755 Na\n0.335508 0.998999 0.231255 Na\n0.259545 0.641559 0.726245 Na\n0.568998 0.656616 0.740829 Na\n0.835508 0.001001 0.268745 Na\n0.164492 0.998999 0.731255 Na\n0.431002 0.343384 0.259171 Na\n0.740455 0.358441 0.273755 Na\n0.664492 0.001001 0.768745 Na\n0.240455 0.641559 0.226245 Na\n0.931002 0.656616 0.240829 Na\n0.589645 0.861125 0.291629 P\n0.089645 0.138875 0.208371 P\n0.910355 0.861125 0.791629 P\n0.410355 0.138875 0.708371 P\n0.542898 0.140275 0.866367 H\n0.880589 0.097737 0.969894 H\n0.263964 0.131097 0.893285 H\n0.613632 0.192510 0.945126 H\n0.241910 0.404120 0.604051 H\n0.579088 0.399849 0.634091 H\n0.189266 0.160004 0.987258 H\n0.181744 0.582004 0.506450 H\n0.405538 0.318203 0.860777 H\n0.938307 0.229062 0.997181 H\n0.634648 0.588340 0.542898 H\n0.918701 0.484027 0.733529 H\n0.418701 0.515973 0.766471 H\n0.134648 0.411660 0.957102 H\n0.438307 0.770938 0.502819 H\n0.905538 0.681797 0.639223 H\n0.681744 0.417996 0.993550 H\n0.689266 0.839996 0.512742 H\n0.079088 0.600151 0.865909 H\n0.741910 0.595880 0.895949 H\n0.113632 0.807490 0.554874 H\n0.763964 0.868903 0.606715 H\n0.380589 0.902263 0.530106 H\n0.042898 0.859725 0.633633 H\n0.957102 0.140275 0.366367 H\n0.619411 0.097737 0.469894 H\n0.236036 0.131097 0.393285 H\n0.886368 0.192510 0.445126 H\n0.258090 0.404120 0.104051 H\n0.920912 0.399849 0.134091 H\n0.310734 0.160004 0.487258 H\n0.318256 0.582004 0.006450 H\n0.094462 0.318203 0.360777 H\n0.561693 0.229062 0.497181 H\n0.865352 0.588340 0.042898 H\n0.581299 0.484027 0.233529 H\n0.081299 0.515973 0.266471 H\n0.365352 0.411660 0.457102 H\n0.061693 0.770938 0.002819 H\n0.594462 0.681797 0.139223 H\n0.818256 0.417996 0.493550 H\n0.810734 0.839996 0.012742 H\n0.420912 0.600151 0.365909 H\n0.758090 0.595880 0.395949 H\n0.386368 0.807490 0.054874 H\n0.736036 0.868903 0.106715 H\n0.119411 0.902263 0.030106 H\n0.457102 0.859725 0.133633 H\n0.086623 0.891945 0.291217 C\n0.586623 0.108055 0.208783 C\n0.413377 0.891945 0.791217 C\n0.913377 0.108055 0.708783 C\n0.619678 0.148719 0.886656 O\n0.186911 0.127433 0.920003 O\n0.910636 0.219142 0.922766 O\n0.202380 0.502796 0.600170 O\n0.615351 0.497720 0.635278 O\n0.603590 0.839957 0.172951 O\n0.908550 0.570603 0.639249 O\n0.177799 0.810506 0.321169 O\n0.479704 0.788540 0.360903 O\n0.408550 0.429397 0.860751 O\n0.994289 0.821399 0.319872 O\n0.687890 0.786761 0.387788 O\n0.115351 0.502280 0.864722 O\n0.702380 0.497204 0.899830 O\n0.410636 0.780858 0.577234 O\n0.686911 0.872567 0.579997 O\n0.187890 0.213239 0.112212 O\n0.494289 0.178601 0.180128 O\n0.119678 0.851281 0.613344 O\n0.979704 0.211460 0.139097 O\n0.677799 0.189494 0.178831 O\n0.896410 0.839957 0.672951 O\n0.103590 0.160043 0.327049 O\n0.322201 0.810506 0.821169 O\n0.020296 0.788540 0.860903 O\n0.880322 0.148719 0.386656 O\n0.505711 0.821399 0.819872 O\n0.812110 0.786761 0.887788 O\n0.313089 0.127433 0.420003 O\n0.589364 0.219142 0.422766 O\n0.297620 0.502796 0.100170 O\n0.884649 0.497720 0.135278 O\n0.312110 0.213239 0.612212 O\n0.005711 0.178601 0.680128 O\n0.591450 0.570603 0.139249 O\n0.520296 0.211460 0.639097 O\n0.822201 0.189494 0.678831 O\n0.091450 0.429397 0.360751 O\n0.396410 0.160043 0.827049 O\n0.384649 0.502280 0.364722 O\n0.797620 0.497204 0.399830 O\n0.089364 0.780858 0.077234 O\n0.813089 0.872567 0.079997 O\n0.380322 0.851281 0.113344 O\n",
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},
{
"id": "mp-1519625",
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"structure_string": "Ba1 Na1 Ce1 Bi1 O6\n1.0\n0.000000 -4.346051 -4.346051\n4.346051 0.000000 -4.346051\n4.346051 -4.346051 0.000000\nBa Na Ce Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Bi\n0.754818 0.245182 0.245182 O\n0.245182 0.754818 0.754818 O\n0.754818 0.245182 0.754818 O\n0.245182 0.754818 0.245182 O\n0.754818 0.754818 0.245182 O\n0.245182 0.245182 0.754818 O\n",
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