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{
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{
"id": "mp-698120",
"created_at": "2022-09-04T14:41:23.206595Z",
"structure_string": "K2 Gd4 Cu2 Mo8 O32\n1.0\n6.422069 2.673310 0.000000\n-6.422069 2.673310 0.000000\n0.000000 1.155045 19.756865\nK Gd Cu Mo O\n2 4 2 8 32\ndirect\n0.029775 0.970225 0.250000 K\n0.970225 0.029775 0.750000 K\n0.147801 0.853689 0.032652 Gd\n0.852199 0.146311 0.967348 Gd\n0.146311 0.852199 0.467348 Gd\n0.853689 0.147801 0.532652 Gd\n0.309210 0.690790 0.250000 Cu\n0.690790 0.309210 0.750000 Cu\n0.547119 0.423035 0.591612 Mo\n0.730882 0.246279 0.147237 Mo\n0.452881 0.576965 0.408388 Mo\n0.753721 0.269118 0.352763 Mo\n0.246279 0.730882 0.647237 Mo\n0.269118 0.753721 0.852763 Mo\n0.576965 0.452881 0.908388 Mo\n0.423035 0.547119 0.091612 Mo\n0.739054 0.017218 0.327807 O\n0.306383 0.492439 0.328246 O\n0.217209 0.257324 0.461466 O\n0.693617 0.507561 0.671754 O\n0.937358 0.415593 0.432939 O\n0.770456 0.677350 0.399525 O\n0.900786 0.595943 0.131109 O\n0.492439 0.306383 0.828246 O\n0.062642 0.584407 0.567061 O\n0.508765 0.173332 0.542129 O\n0.260946 0.982782 0.672193 O\n0.782791 0.742676 0.538534 O\n0.257324 0.217209 0.961466 O\n0.507561 0.693617 0.171754 O\n0.061433 0.469614 0.713436 O\n0.677350 0.770456 0.899525 O\n0.595943 0.900786 0.631109 O\n0.229544 0.322650 0.600475 O\n0.404057 0.099214 0.368891 O\n0.982782 0.260946 0.172193 O\n0.826668 0.491235 0.957871 O\n0.469614 0.061433 0.213436 O\n0.173332 0.508765 0.042129 O\n0.017218 0.739054 0.827807 O\n0.322650 0.229544 0.100475 O\n0.530386 0.938567 0.786564 O\n0.491235 0.826668 0.457871 O\n0.099214 0.404057 0.868891 O\n0.584407 0.062642 0.067061 O\n0.742676 0.782791 0.038534 O\n0.415593 0.937358 0.932939 O\n0.938567 0.530386 0.286564 O\n",
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"formula_full": "K2 Gd4 Cu2 Mo8 O32",
"formula_reduced": "KGd2Cu(MoO4)4",
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"updated_at": "2021-11-28T01:35:20.349000Z",
"spacegroup": 15
},
{
"id": "mp-1110846",
"created_at": "2022-09-04T14:41:24.046350Z",
"structure_string": "K3 Bi1 F6\n1.0\n6.783217 -0.000000 -0.000000\n3.391609 5.874439 -0.000000\n3.391609 1.958146 5.538474\nK Bi F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.236160 0.763840 0.236160 F\n0.763840 0.763840 0.236160 F\n0.763840 0.236160 0.763840 F\n0.763840 0.236160 0.236160 F\n0.236160 0.763840 0.763840 F\n0.236160 0.236160 0.763840 F\n",
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"volume": 220.69486604686486,
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},
{
"id": "mp-554835",
"created_at": "2022-09-04T14:41:23.130383Z",
"structure_string": "K4 Zr4 V4 F28\n1.0\n6.615048 0.000000 0.000000\n0.000000 8.076241 0.000000\n0.000000 0.000000 11.349502\nK Zr V F\n4 4 4 28\ndirect\n0.263414 0.000000 0.250000 K\n0.736586 0.000000 0.750000 K\n0.236586 0.500000 0.250000 K\n0.763414 0.500000 0.750000 K\n0.750000 0.750000 0.406835 Zr\n0.250000 0.250000 0.593165 Zr\n0.250000 0.750000 0.906835 Zr\n0.750000 0.250000 0.093165 Zr\n0.750000 0.250000 0.402259 V\n0.250000 0.250000 0.902259 V\n0.250000 0.750000 0.597741 V\n0.750000 0.750000 0.097741 V\n0.051249 0.194441 0.043500 F\n0.051249 0.805559 0.456500 F\n0.448751 0.694441 0.456500 F\n0.448751 0.305559 0.043500 F\n0.948751 0.805559 0.956500 F\n0.948751 0.194441 0.543500 F\n0.551249 0.305559 0.543500 F\n0.551249 0.694441 0.956500 F\n0.250000 0.750000 0.085910 F\n0.250000 0.250000 0.414090 F\n0.750000 0.250000 0.914090 F\n0.750000 0.750000 0.585910 F\n0.930665 0.788176 0.250383 F\n0.930665 0.211824 0.249617 F\n0.569335 0.288176 0.249617 F\n0.569335 0.711824 0.250383 F\n0.069335 0.211824 0.749617 F\n0.069335 0.788176 0.750383 F\n0.430665 0.711824 0.750383 F\n0.430665 0.288176 0.749617 F\n0.667562 0.004127 0.102069 F\n0.667562 0.995873 0.397931 F\n0.832438 0.504127 0.397931 F\n0.832438 0.495873 0.102069 F\n0.332438 0.995873 0.897931 F\n0.332438 0.004127 0.602069 F\n0.167562 0.495873 0.602069 F\n0.167562 0.504127 0.897931 F\n",
"nsites": 40,
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"elements": [
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"formula_full": "K4 Zr4 V4 F28",
"formula_reduced": "KZrVF7",
"formula_anonymous": "ABCD7",
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"spacegroup": 52
},
{
"id": "mp-1273033",
"created_at": "2022-09-04T14:41:23.131972Z",
"structure_string": "La2 Mn4 Cd2 O12\n1.0\n-2.768280 -4.824903 -0.002948\n-2.831228 -1.566126 8.922122\n-5.467533 -0.040157 0.053270\nLa Mn Cd O\n2 4 2 12\ndirect\n0.135009 0.624616 0.122871 La\n0.612358 0.124307 0.625506 La\n0.245343 0.249051 0.251554 Mn\n0.983884 0.000626 0.005298 Mn\n0.753537 0.749016 0.746851 Mn\n0.514624 0.500958 0.493009 Mn\n0.367710 0.874853 0.374100 Cd\n0.886471 0.374225 0.874359 Cd\n0.891209 0.378271 0.454774 O\n0.333852 0.876876 0.975479 O\n0.302604 0.375753 0.870901 O\n0.778131 0.875578 0.375630 O\n0.484922 0.377934 0.297926 O\n0.946031 0.878975 0.784186 O\n0.185373 0.121277 0.625667 O\n0.700640 0.631445 0.131700 O\n0.034846 0.127999 0.176358 O\n0.575234 0.617097 0.699561 O\n0.610439 0.119128 0.061922 O\n0.157779 0.622016 0.552349 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.491361772076896,
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"volume": 233.90473541742745,
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"formula_full": "La2 Mn4 Cd2 O12",
"formula_reduced": "LaMn2CdO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 1
},
{
"id": "mp-7592",
"created_at": "2022-09-04T14:41:23.132941Z",
"structure_string": "Ag1 F1\n1.0\n0.000000 2.514648 2.514648\n2.514648 0.000000 2.514648\n2.514648 2.514648 0.000000\nAg F\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 F\n",
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"volume": 31.802524744424137,
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"formula_full": "Ag1 F1",
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"energy": -7.212117689999999,
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"updated_at": "2021-11-28T01:35:19.210000Z",
"spacegroup": 225
},
{
"id": "mp-861689",
"created_at": "2022-09-04T14:41:23.135214Z",
"structure_string": "Li15 Cr15 Si1 O32\n1.0\n8.082314 0.000000 0.000000\n-0.001637 8.085755 0.000000\n-0.001427 -0.016515 8.873838\nLi Cr Si O\n15 15 1 32\ndirect\n0.875087 0.874550 0.770096 Li\n0.875204 0.621798 0.509978 Li\n0.875773 0.128462 0.515837 Li\n0.624861 0.623018 0.251333 Li\n0.622762 0.124964 0.256239 Li\n0.623907 0.377491 0.983582 Li\n0.625655 0.873132 0.000050 Li\n0.373064 0.125032 0.503371 Li\n0.374009 0.624717 0.501976 Li\n0.374806 0.873835 0.749650 Li\n0.374857 0.376612 0.745019 Li\n0.122954 0.874502 0.996081 Li\n0.124394 0.376278 0.986730 Li\n0.125574 0.125165 0.233201 Li\n0.124028 0.623202 0.249048 Li\n0.874583 0.874088 0.245357 Cr\n0.874440 0.622154 0.995776 Cr\n0.874313 0.373530 0.247328 Cr\n0.628111 0.622049 0.749274 Cr\n0.626245 0.874776 0.501230 Cr\n0.627992 0.128121 0.752483 Cr\n0.626448 0.374732 0.502037 Cr\n0.374525 0.624745 0.998616 Cr\n0.374328 0.874372 0.250743 Cr\n0.376304 0.125154 0.001364 Cr\n0.374696 0.374894 0.250548 Cr\n0.123002 0.875733 0.501452 Cr\n0.121316 0.621559 0.749358 Cr\n0.122962 0.373815 0.501730 Cr\n0.122139 0.128472 0.754654 Cr\n0.871879 0.134469 0.998121 Si\n0.874750 0.370684 0.471099 O\n0.875177 0.119417 0.799899 O\n0.872548 0.123233 0.199140 O\n0.873746 0.358240 0.019087 O\n0.874181 0.884093 0.016658 O\n0.874613 0.623298 0.223276 O\n0.874664 0.634521 0.772438 O\n0.874638 0.879712 0.472802 O\n0.625019 0.372931 0.273137 O\n0.640621 0.126133 0.982207 O\n0.627724 0.124837 0.524656 O\n0.614198 0.374396 0.728676 O\n0.626455 0.876422 0.729050 O\n0.626779 0.624887 0.521357 O\n0.625511 0.623788 0.978063 O\n0.624951 0.875292 0.271361 O\n0.375278 0.122763 0.776186 O\n0.374626 0.373912 0.477673 O\n0.375212 0.373357 0.021344 O\n0.375658 0.124538 0.227653 O\n0.374272 0.624795 0.227418 O\n0.374968 0.876343 0.021799 O\n0.374538 0.875814 0.478826 O\n0.374697 0.627451 0.771819 O\n0.109245 0.126251 0.985808 O\n0.124034 0.371546 0.271872 O\n0.135583 0.374430 0.728756 O\n0.121717 0.124841 0.528511 O\n0.122589 0.624918 0.521234 O\n0.123509 0.876231 0.730382 O\n0.123970 0.877004 0.271239 O\n0.123510 0.623298 0.978512 O\n",
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],
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{
"id": "mp-1213815",
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"structure_string": "Ce6 Ti2 Sb10\n1.0\n4.666203 -8.082100 0.000000\n4.666203 8.082100 0.000000\n0.000000 0.000000 6.234618\nCe Ti Sb\n6 2 10\ndirect\n0.618173 0.000000 0.250000 Ce\n0.381827 0.000000 0.750000 Ce\n0.000000 0.618173 0.250000 Ce\n0.000000 0.381827 0.750000 Ce\n0.381827 0.381827 0.250000 Ce\n0.618173 0.618173 0.750000 Ce\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.257798 0.000000 0.250000 Sb\n0.742202 0.000000 0.750000 Sb\n0.000000 0.257798 0.250000 Sb\n0.000000 0.742202 0.750000 Sb\n0.742202 0.742202 0.250000 Sb\n0.257798 0.257798 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n",
"nsites": 18,
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"formula_full": "Ce6 Ti2 Sb10",
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{
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"structure_string": "Sc2 Al4\n1.0\n0.000000 3.793145 3.793145\n3.793145 0.000000 3.793145\n3.793145 3.793145 0.000000\nSc Al\n2 4\ndirect\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Sc\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n",
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{
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{
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"formula_full": "K1 Hf1 Mg14 O15",
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{
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"structure_string": "Li10 Ti2 Mn18 O40\n1.0\n4.217391 -4.092929 0.008134\n-4.233171 -0.006252 -4.324025\n12.674415 16.424637 -12.920486\nLi Ti Mn O\n10 2 18 40\ndirect\n0.988605 0.000788 0.997675 Li\n0.711541 0.353970 0.051686 Li\n0.505587 0.757843 0.251673 Li\n0.794940 0.394581 0.199740 Li\n0.608951 0.788455 0.400717 Li\n0.293426 0.135382 0.447543 Li\n0.100835 0.556461 0.650423 Li\n0.406229 0.212424 0.599741 Li\n0.186541 0.589900 0.797644 Li\n0.905262 0.960357 0.852248 Li\n0.255678 0.882159 0.126191 Ti\n0.755825 0.895951 0.621858 Ti\n0.350722 0.676297 0.025061 Mn\n0.250026 0.376631 0.124450 Mn\n0.058920 0.770819 0.326359 Mn\n0.751325 0.878148 0.124729 Mn\n0.145064 0.080644 0.225814 Mn\n0.057007 0.271993 0.325287 Mn\n0.553120 0.268449 0.325166 Mn\n0.348093 0.672286 0.524395 Mn\n0.848390 0.670141 0.523612 Mn\n0.951349 0.450952 0.424380 Mn\n0.644084 0.572358 0.723616 Mn\n0.144931 0.068994 0.724402 Mn\n0.445532 0.979689 0.924821 Mn\n0.850105 0.175362 0.523623 Mn\n0.447175 0.480719 0.924576 Mn\n0.641210 0.068606 0.724540 Mn\n0.546866 0.275225 0.824679 Mn\n0.947081 0.483064 0.924557 Mn\n0.095094 0.548428 0.078171 O\n0.546218 0.000908 0.079586 O\n0.347667 0.942662 0.282535 O\n0.552173 0.554957 0.081075 O\n0.456223 0.753493 0.169498 O\n0.044342 0.996038 0.079924 O\n0.221639 0.578677 0.374538 O\n0.406704 0.206384 0.172007 O\n0.956180 0.760354 0.172676 O\n0.888873 0.960909 0.278863 O\n0.331202 0.396877 0.276921 O\n0.126707 0.766713 0.473275 O\n0.121810 0.317497 0.475053 O\n0.039861 0.523121 0.565791 O\n0.246226 0.127719 0.367019 O\n0.944944 0.201145 0.165756 O\n0.773864 0.588676 0.373988 O\n0.863642 0.414796 0.283743 O\n0.659757 0.825620 0.484070 O\n0.027114 0.037989 0.574923 O\n0.783740 0.150909 0.375499 O\n0.344193 0.939513 0.767207 O\n0.572401 0.573513 0.576100 O\n0.678504 0.311507 0.474343 O\n0.487614 0.752555 0.679168 O\n0.847905 0.944717 0.768172 O\n0.937078 0.754794 0.678120 O\n0.244746 0.657757 0.880503 O\n0.580893 0.031676 0.576052 O\n0.441067 0.197055 0.680905 O\n0.350302 0.388524 0.769494 O\n0.150363 0.802602 0.969232 O\n0.800487 0.390059 0.768848 O\n0.602748 0.812846 0.970517 O\n0.150183 0.355471 0.967537 O\n0.290511 0.147860 0.878547 O\n0.937747 0.193639 0.678700 O\n0.744321 0.609322 0.881835 O\n0.741022 0.160264 0.878381 O\n0.648309 0.302722 0.968244 O\n",
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"formula_full": "Li10 Ti2 Mn18 O40",
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"updated_at": "2021-11-28T01:35:22.303000Z",
"spacegroup": 1
},
{
"id": "mp-1080176",
"created_at": "2022-09-04T14:41:24.129051Z",
"structure_string": "Gd2 B4 C4\n1.0\n5.353087 0.000000 0.000000\n0.000000 5.353087 0.000000\n0.000000 0.000000 3.655407\nGd B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Gd\n0.000000 0.000000 0.000000 Gd\n0.863178 0.363178 0.500000 B\n0.136822 0.636822 0.500000 B\n0.363178 0.136822 0.500000 B\n0.636822 0.863178 0.500000 B\n0.661601 0.161601 0.500000 C\n0.338399 0.838399 0.500000 C\n0.161601 0.338399 0.500000 C\n0.838399 0.661601 0.500000 C\n",
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]
}