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{
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{
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"structure_string": "Mn2 Ag8 Sb4 S12\n1.0\n8.011265 0.000000 0.000000\n0.000000 6.732857 0.000000\n0.000000 6.436551 10.679385\nMn Ag Sb S\n2 8 4 12\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.967700 0.766228 0.472385 Ag\n0.532300 0.766228 0.972385 Ag\n0.032300 0.233772 0.527615 Ag\n0.703730 0.251726 0.817005 Ag\n0.203730 0.748274 0.682995 Ag\n0.296270 0.748274 0.182995 Ag\n0.796270 0.251726 0.317005 Ag\n0.467700 0.233772 0.027615 Ag\n0.149683 0.161711 0.811364 Sb\n0.350317 0.161711 0.311364 Sb\n0.850317 0.838289 0.188636 Sb\n0.649683 0.838289 0.688636 Sb\n0.907044 0.596510 0.780603 S\n0.741891 0.237531 0.105736 S\n0.407044 0.403490 0.719397 S\n0.092956 0.403490 0.219397 S\n0.592956 0.596510 0.280603 S\n0.174568 0.156750 0.013965 S\n0.674568 0.843250 0.486035 S\n0.825432 0.843250 0.986035 S\n0.325432 0.156750 0.513965 S\n0.758109 0.237531 0.605736 S\n0.258109 0.762469 0.894264 S\n0.241891 0.762469 0.394264 S\n",
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},
{
"id": "mp-1222532",
"created_at": "2022-09-04T14:39:20.420410Z",
"structure_string": "Li7 Sn4 O12\n1.0\n4.664502 2.687637 0.000000\n-4.664502 2.687637 0.000000\n0.000000 1.834645 9.981752\nLi Sn O\n7 4 12\ndirect\n0.847958 0.695393 0.252238 Li\n0.304607 0.152042 0.747762 Li\n0.157549 0.300866 0.254547 Li\n0.699134 0.842451 0.745453 Li\n0.914636 0.085364 0.000000 Li\n0.000907 0.509191 0.747060 Li\n0.490809 0.999093 0.252940 Li\n0.418081 0.581919 0.500000 Sn\n0.581592 0.418408 0.000000 Sn\n0.750612 0.249388 0.500000 Sn\n0.250028 0.749972 0.000000 Sn\n0.499034 0.331287 0.376358 O\n0.668713 0.500966 0.623642 O\n0.528266 0.695455 0.115298 O\n0.304545 0.471734 0.884702 O\n0.126191 0.582461 0.376639 O\n0.417539 0.873809 0.623361 O\n0.876188 0.397014 0.115012 O\n0.602986 0.123812 0.884988 O\n0.753044 0.958909 0.374619 O\n0.041091 0.246956 0.625381 O\n0.225269 0.041779 0.120602 O\n0.958221 0.774731 0.879398 O\n",
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"formula_full": "Li7 Sn4 O12",
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{
"id": "mp-6495",
"created_at": "2022-09-04T14:39:24.286392Z",
"structure_string": "Ba4 Er8 Zn4 O20\n1.0\n5.724268 0.000000 0.000000\n0.000000 7.096529 0.000000\n0.000000 0.000000 12.355777\nBa Er Zn O\n4 8 4 20\ndirect\n0.750000 0.078062 0.101726 Ba\n0.750000 0.421938 0.601726 Ba\n0.250000 0.578062 0.398274 Ba\n0.250000 0.921938 0.898274 Ba\n0.250000 0.400370 0.074378 Er\n0.750000 0.619314 0.208133 Er\n0.750000 0.880686 0.708133 Er\n0.250000 0.119314 0.291867 Er\n0.750000 0.599630 0.925622 Er\n0.750000 0.900370 0.425622 Er\n0.250000 0.099630 0.574378 Er\n0.250000 0.380686 0.791867 Er\n0.250000 0.808746 0.150138 Zn\n0.750000 0.191254 0.849862 Zn\n0.750000 0.308746 0.349862 Zn\n0.250000 0.691254 0.650138 Zn\n0.250000 0.422118 0.601191 O\n0.750000 0.577882 0.398809 O\n0.750000 0.922118 0.898809 O\n0.250000 0.077882 0.101191 O\n0.999389 0.860278 0.275400 O\n0.499389 0.139722 0.724600 O\n0.000611 0.360278 0.224600 O\n0.500611 0.639722 0.775400 O\n0.000611 0.139722 0.724600 O\n0.500611 0.860278 0.275400 O\n0.999389 0.639722 0.775400 O\n0.499389 0.360278 0.224600 O\n0.499605 0.662144 0.066169 O\n0.999605 0.337856 0.933831 O\n0.500395 0.162144 0.433831 O\n0.000395 0.837856 0.566169 O\n0.999605 0.162144 0.433831 O\n0.499605 0.837856 0.566169 O\n0.000395 0.662144 0.066169 O\n0.500395 0.337856 0.933831 O\n",
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"density": 8.168360362818355,
"density_atomic": 0.071724329827358,
"volume": 501.92173404272677,
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"formula_full": "Ba4 Er8 Zn4 O20",
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"spacegroup": 62
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{
"id": "mp-1028036",
"created_at": "2022-09-04T14:39:05.269686Z",
"structure_string": "Y1 Mg14 V1\n1.0\n6.454311 -0.000000 -0.000000\n-3.227155 5.589597 0.000000\n0.000000 0.000000 10.256335\nY Mg V\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.178161 0.839080 0.125000 Mg\n0.165715 0.832857 0.625000 Mg\n0.660920 0.321839 0.125000 Mg\n0.667143 0.334285 0.625000 Mg\n0.660920 0.839080 0.125000 Mg\n0.667143 0.832857 0.625000 Mg\n0.331712 0.168288 0.386071 Mg\n0.331712 0.168288 0.863929 Mg\n0.331712 0.663424 0.386071 Mg\n0.331712 0.663424 0.863929 Mg\n0.836576 0.168288 0.386071 Mg\n0.836576 0.168288 0.863929 Mg\n0.833333 0.666667 0.368446 Mg\n0.833333 0.666667 0.881554 Mg\n0.166667 0.333333 0.625000 V\n",
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],
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"formula_full": "Y1 Mg14 V1",
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{
"id": "mp-581396",
"created_at": "2022-09-04T14:39:48.387818Z",
"structure_string": "Rb12 U10 V4 O46\n1.0\n3.592313 12.608648 0.000000\n-3.592313 12.608648 0.000000\n0.000000 3.789022 14.336361\nRb U V O\n12 10 4 46\ndirect\n0.787680 0.285724 0.451568 Rb\n0.623058 0.116784 0.613616 Rb\n0.932401 0.486482 0.326622 Rb\n0.067599 0.513518 0.673378 Rb\n0.714276 0.212320 0.048432 Rb\n0.376942 0.883216 0.386384 Rb\n0.883216 0.376942 0.886384 Rb\n0.116784 0.623058 0.113616 Rb\n0.486482 0.932401 0.826622 Rb\n0.513518 0.067599 0.173378 Rb\n0.285724 0.787680 0.951568 Rb\n0.212320 0.714276 0.548432 Rb\n0.813687 0.893496 0.883502 U\n0.527481 0.638258 0.671846 U\n0.106504 0.186313 0.616498 U\n0.186313 0.106504 0.116498 U\n0.361742 0.472519 0.828154 U\n0.472519 0.361742 0.328154 U\n0.083908 0.916092 0.250000 U\n0.916092 0.083908 0.750000 U\n0.638258 0.527481 0.171846 U\n0.893496 0.813687 0.383502 U\n0.329671 0.234615 0.429973 V\n0.670329 0.765385 0.570027 V\n0.234615 0.329671 0.929973 V\n0.765385 0.670329 0.070027 V\n0.155243 0.177542 0.727355 O\n0.802812 0.065662 0.316883 O\n0.460152 0.323979 0.219000 O\n0.686247 0.159256 0.819562 O\n0.247330 0.236193 0.542546 O\n0.510060 0.489940 0.250000 O\n0.159256 0.686247 0.319562 O\n0.752670 0.763807 0.457454 O\n0.069353 0.885042 0.138697 O\n0.323979 0.460152 0.719000 O\n0.855244 0.659199 0.142576 O\n0.114958 0.930647 0.361303 O\n0.763807 0.752670 0.957454 O\n0.659199 0.855244 0.642576 O\n0.798623 0.940353 0.998649 O\n0.514958 0.610717 0.557924 O\n0.844757 0.822458 0.272645 O\n0.236193 0.247330 0.042546 O\n0.340801 0.144756 0.357424 O\n0.832564 0.526445 0.610560 O\n0.676021 0.539848 0.281000 O\n0.125319 0.550222 0.918511 O\n0.934338 0.197188 0.183117 O\n0.313753 0.840744 0.180438 O\n0.144756 0.340801 0.857424 O\n0.885042 0.069353 0.638697 O\n0.526445 0.832564 0.110560 O\n0.550222 0.125319 0.418511 O\n0.489940 0.510060 0.750000 O\n0.065662 0.802812 0.816883 O\n0.197188 0.934338 0.683117 O\n0.930647 0.114958 0.861303 O\n0.167436 0.473555 0.389440 O\n0.389283 0.485042 0.942076 O\n0.473555 0.167436 0.889440 O\n0.201377 0.059647 0.001351 O\n0.059647 0.201377 0.501351 O\n0.449778 0.874681 0.581489 O\n0.485042 0.389283 0.442076 O\n0.822458 0.844757 0.772645 O\n0.610717 0.514958 0.057924 O\n0.940353 0.798623 0.498649 O\n0.840744 0.313753 0.680438 O\n0.539848 0.676021 0.781000 O\n0.874681 0.449778 0.081489 O\n0.177542 0.155243 0.227355 O\n",
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{
"id": "mp-1296272",
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"structure_string": "Co4 Bi24 S8 O64\n1.0\n0.000009 -5.664922 -0.002093\n11.689814 0.000200 1.088719\n-0.065601 0.009487 22.788902\nCo Bi S O\n4 24 8 64\ndirect\n0.108163 0.000108 0.500088 Co\n0.604451 0.500049 0.749984 Co\n0.106869 0.999765 0.999895 Co\n0.651862 0.500754 0.249935 Co\n0.123679 0.653957 0.497173 Bi\n0.625004 0.153955 0.746931 Bi\n0.123537 0.653823 0.996301 Bi\n0.623424 0.154404 0.247132 Bi\n0.123250 0.346369 0.503729 Bi\n0.625215 0.846062 0.753272 Bi\n0.124444 0.346083 0.002835 Bi\n0.623843 0.845936 0.252817 Bi\n0.627190 0.521013 0.585369 Bi\n0.128417 0.021425 0.835535 Bi\n0.625843 0.521739 0.085697 Bi\n0.127082 0.020572 0.335578 Bi\n0.625279 0.478039 0.413981 Bi\n0.128060 0.978400 0.664525 Bi\n0.627437 0.478905 0.914478 Bi\n0.126287 0.979503 0.164569 Bi\n0.048668 0.338043 0.335748 Bi\n0.547213 0.839060 0.584626 Bi\n0.046940 0.339696 0.834274 Bi\n0.546528 0.839654 0.084437 Bi\n0.046644 0.660236 0.665766 Bi\n0.547637 0.160727 0.915540 Bi\n0.050191 0.662083 0.164103 Bi\n0.546875 0.160736 0.415457 Bi\n0.675368 0.849076 0.433160 S\n0.176608 0.348093 0.682884 S\n0.676391 0.848927 0.933031 S\n0.180501 0.354207 0.185351 S\n0.676755 0.150853 0.566724 S\n0.176686 0.651876 0.817210 S\n0.676676 0.151436 0.066793 S\n0.177988 0.645548 0.314827 S\n0.878760 0.500348 0.500203 O\n0.379824 0.000062 0.750088 O\n0.879159 0.499776 0.999796 O\n0.378841 0.000018 0.249946 O\n0.359390 0.500123 0.500168 O\n0.860905 0.000053 0.750038 O\n0.360051 0.500099 0.999921 O\n0.859042 0.000001 0.249820 O\n0.900396 0.878352 0.464231 O\n0.402081 0.376510 0.714121 O\n0.902876 0.877014 0.963862 O\n0.403631 0.382000 0.216834 O\n0.903203 0.122704 0.536024 O\n0.402081 0.623357 0.786072 O\n0.901186 0.122915 0.035298 O\n0.402247 0.617627 0.283938 O\n0.471214 0.865183 0.473835 O\n0.972667 0.364835 0.723491 O\n0.473487 0.866298 0.973875 O\n0.971812 0.373870 0.224919 O\n0.473659 0.132967 0.525928 O\n0.972661 0.635143 0.776591 O\n0.471650 0.135015 0.026375 O\n0.970666 0.625499 0.274725 O\n0.690366 0.729054 0.419688 O\n0.190111 0.228061 0.669362 O\n0.688277 0.728723 0.919681 O\n0.187344 0.232987 0.173264 O\n0.688242 0.271243 0.579762 O\n0.190237 0.771896 0.830760 O\n0.691062 0.271408 0.080400 O\n0.183587 0.766858 0.326667 O\n0.149645 0.429363 0.628684 O\n0.648811 0.929957 0.878756 O\n0.155096 0.433336 0.130156 O\n0.646701 0.930109 0.378879 O\n0.151176 0.566663 0.370022 O\n0.649416 0.070227 0.621143 O\n0.149768 0.570613 0.871448 O\n0.650264 0.070062 0.120976 O\n0.699861 0.585095 0.677401 O\n0.200857 0.085469 0.927246 O\n0.698534 0.588460 0.176124 O\n0.199883 0.085284 0.427046 O\n0.696259 0.410856 0.323905 O\n0.199994 0.914079 0.572908 O\n0.700052 0.414911 0.822625 O\n0.199003 0.914536 0.072853 O\n0.889159 0.665683 0.574552 O\n0.390035 0.165988 0.824294 O\n0.887804 0.666332 0.073509 O\n0.388228 0.165180 0.324311 O\n0.887236 0.333638 0.426539 O\n0.390056 0.834066 0.675893 O\n0.889633 0.334371 0.925475 O\n0.388560 0.834888 0.175578 O\n0.384158 0.671313 0.573867 O\n0.884747 0.171742 0.823719 O\n0.382435 0.671886 0.073445 O\n0.884449 0.170522 0.323712 O\n0.381623 0.328197 0.426559 O\n0.884634 0.828208 0.676488 O\n0.384523 0.328604 0.926209 O\n0.884539 0.829252 0.176240 O\n",
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{
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