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{
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{
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{
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"structure_string": "Na20\n1.0\n9.102791 0.000000 0.000000\n0.000000 9.102791 0.000000\n0.000000 0.000000 9.102791\nNa\n20\ndirect\n0.875000 0.702081 0.047919 Na\n0.063494 0.063494 0.063494 Na\n0.202081 0.452081 0.125000 Na\n0.813494 0.313494 0.186506 Na\n0.452081 0.125000 0.202081 Na\n0.547919 0.625000 0.297919 Na\n0.186506 0.813494 0.313494 Na\n0.797919 0.952081 0.375000 Na\n0.936506 0.563494 0.436506 Na\n0.125000 0.202081 0.452081 Na\n0.625000 0.297919 0.547919 Na\n0.436506 0.936506 0.563494 Na\n0.297919 0.547919 0.625000 Na\n0.686506 0.686506 0.686506 Na\n0.047919 0.875000 0.702081 Na\n0.952081 0.375000 0.797919 Na\n0.313494 0.186506 0.813494 Na\n0.702081 0.047919 0.875000 Na\n0.563494 0.436506 0.936506 Na\n0.375000 0.797919 0.952081 Na\n",
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{
"id": "mp-1096733",
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"structure_string": "Li2 In1 Bi1\n1.0\n-5.714559 5.823070 8.249197\n5.714559 -5.823070 8.249197\n5.714559 5.823070 -8.249197\nLi In Bi\n2 1 1\ndirect\n0.000000 0.257740 0.257740 Li\n0.000000 0.742260 0.742260 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Bi\n",
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{
"id": "mp-763431",
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"structure_string": "Li1 Mn5 O3 F5\n1.0\n3.187685 5.562289 0.000000\n-3.187685 5.562289 0.000000\n0.000000 3.679097 5.250708\nLi Mn O F\n1 5 3 5\ndirect\n0.393306 0.393306 0.350821 Li\n0.022491 0.022491 0.008916 Mn\n0.715927 0.715927 0.774768 Mn\n0.863881 0.387439 0.360522 Mn\n0.387439 0.863881 0.360522 Mn\n0.376208 0.376208 0.869482 Mn\n0.601850 0.601850 0.615070 O\n0.610944 0.610944 0.152210 O\n0.150257 0.150257 0.137723 O\n0.128716 0.609356 0.618394 F\n0.609356 0.128716 0.618394 F\n0.619109 0.138202 0.135364 F\n0.138202 0.619109 0.135364 F\n0.132313 0.132313 0.612449 F\n",
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"formula_full": "Li1 Mn5 O3 F5",
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{
"id": "mp-775340",
"created_at": "2022-09-04T14:40:13.324085Z",
"structure_string": "Li4 Cr2 Si12 O30\n1.0\n-3.894533 4.969105 7.403925\n3.894533 -4.969105 7.403925\n3.894533 4.969105 -7.403925\nLi Cr Si O\n4 2 12 30\ndirect\n0.244148 0.244148 0.500000 Li\n0.244148 0.744148 0.000000 Li\n0.755852 0.755852 0.500000 Li\n0.755852 0.255852 0.000000 Li\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.878545 0.651835 0.226711 Si\n0.074876 0.848165 0.226711 Si\n0.389911 0.545150 0.229750 Si\n0.389911 0.160162 0.844762 Si\n0.184600 0.954850 0.844762 Si\n0.184600 0.339838 0.229750 Si\n0.610089 0.839838 0.155238 Si\n0.610089 0.454850 0.770250 Si\n0.815400 0.045150 0.155238 Si\n0.815400 0.660162 0.770250 Si\n0.121455 0.348165 0.773289 Si\n0.925124 0.151835 0.773289 Si\n0.950557 0.250000 0.700557 O\n0.738500 0.067711 0.670789 O\n0.103078 0.432289 0.670789 O\n0.768114 0.810754 0.292776 O\n0.768114 0.475338 0.957360 O\n0.473972 0.370511 0.103461 O\n0.982022 0.689246 0.957360 O\n0.982022 0.024662 0.292776 O\n0.232950 0.129489 0.103461 O\n0.157446 0.392701 0.408082 O\n0.157446 0.749364 0.764745 O\n0.515381 0.750636 0.408082 O\n0.515381 0.107299 0.764745 O\n0.325888 0.990836 0.816723 O\n0.325888 0.509164 0.335052 O\n0.674112 0.009164 0.183277 O\n0.674112 0.490836 0.664948 O\n0.842554 0.250636 0.235255 O\n0.842554 0.607299 0.591918 O\n0.484619 0.249364 0.591918 O\n0.484619 0.892701 0.235255 O\n0.526028 0.629489 0.896539 O\n0.231886 0.524662 0.042640 O\n0.231886 0.189246 0.707224 O\n0.767050 0.870511 0.896539 O\n0.017978 0.310754 0.042640 O\n0.017978 0.975338 0.707224 O\n0.261500 0.932289 0.329211 O\n0.896922 0.567711 0.329211 O\n0.049443 0.750000 0.299443 O\n",
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"elements": [
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"formula_full": "Li4 Cr2 Si12 O30",
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{
"id": "mp-779313",
"created_at": "2022-09-04T14:40:13.335838Z",
"structure_string": "Li7 Mn8 B8 O24\n1.0\n-5.243307 0.000000 0.000000\n-0.111762 -9.128019 0.000000\n2.464923 4.126715 10.497063\nLi Mn B O\n7 8 8 24\ndirect\n0.968206 0.966707 0.090584 Li\n0.725418 0.755737 0.331859 Li\n0.477262 0.458938 0.067549 Li\n0.701984 0.712262 0.583145 Li\n0.238978 0.264168 0.347913 Li\n0.199026 0.211090 0.586664 Li\n0.020807 0.992967 0.837768 Li\n0.750064 0.434336 0.367249 Mn\n0.724109 0.060738 0.622168 Mn\n0.469629 0.146044 0.115454 Mn\n0.527696 0.837105 0.868047 Mn\n0.259215 0.939342 0.373016 Mn\n0.000718 0.646331 0.124976 Mn\n0.228465 0.553488 0.627695 Mn\n0.013751 0.350923 0.863008 Mn\n0.968576 0.318130 0.129303 B\n0.761636 0.106579 0.373735 B\n0.483160 0.813740 0.126978 B\n0.720033 0.386236 0.613893 B\n0.523993 0.180913 0.873781 B\n0.260801 0.605093 0.368614 B\n0.231181 0.888025 0.626293 B\n0.048670 0.699197 0.890821 B\n0.976932 0.886523 0.641595 O\n0.721606 0.348326 0.156324 O\n0.896080 0.288975 0.657148 O\n0.591998 0.916810 0.085164 O\n0.611428 0.686084 0.141003 O\n0.820434 0.502334 0.579357 O\n0.962145 0.593840 0.941954 O\n0.931462 0.838557 0.903867 O\n0.664990 0.986863 0.405782 O\n0.591908 0.204079 0.330675 O\n0.761047 0.150951 0.833634 O\n0.527051 0.632652 0.388787 O\n0.458248 0.364771 0.604185 O\n0.235614 0.842461 0.159622 O\n0.402657 0.781945 0.656975 O\n0.318867 0.996011 0.579938 O\n0.093086 0.422301 0.090616 O\n0.090854 0.188436 0.141514 O\n0.410495 0.319624 0.887056 O\n0.405385 0.066225 0.904982 O\n0.154357 0.492047 0.400980 O\n0.090102 0.701099 0.316514 O\n0.250903 0.657066 0.830318 O\n0.028604 0.128178 0.388468 O\n",
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{
"id": "mp-774811",
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"structure_string": "Na3 Mn2 P2 C2 O14\n1.0\n5.186673 0.000000 0.000000\n-0.043277 6.583043 0.000000\n-0.225980 -0.179579 8.919577\nNa Mn P C O\n3 2 2 2 14\ndirect\n0.241219 0.480697 0.756828 Na\n0.756740 0.507210 0.241549 Na\n0.753801 0.989726 0.239028 Na\n0.788686 0.762627 0.656827 Mn\n0.217604 0.249777 0.349752 Mn\n0.711889 0.253291 0.576732 P\n0.286462 0.750415 0.427786 P\n0.731205 0.747875 0.925432 C\n0.268323 0.247337 0.075094 C\n0.288861 0.253246 0.938242 O\n0.955851 0.753868 0.861063 O\n0.539429 0.749966 0.826391 O\n0.777591 0.067246 0.670115 O\n0.786727 0.443224 0.673451 O\n0.416507 0.263658 0.536273 O\n0.141173 0.744098 0.575740 O\n0.854605 0.251121 0.424516 O\n0.585377 0.751536 0.462653 O\n0.218846 0.563023 0.325618 O\n0.215276 0.936708 0.332495 O\n0.464949 0.245433 0.173571 O\n0.046401 0.244093 0.146072 O\n0.703900 0.741722 0.063914 O\n",
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{
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"structure_string": "Sr10 Nb10 O34\n1.0\n4.048788 0.000000 0.000000\n0.000000 5.751676 0.000000\n0.000000 0.000000 33.151881\nSr Nb O\n10 10 34\ndirect\n0.000000 0.432952 0.782996 Sr\n0.000000 0.567048 0.217004 Sr\n0.500000 0.067048 0.282996 Sr\n0.500000 0.932952 0.717004 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.502312 0.590117 Sr\n0.500000 0.497688 0.409883 Sr\n0.000000 0.997688 0.090117 Sr\n0.000000 0.002312 0.909883 Sr\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.465820 0.676780 Nb\n0.000000 0.534180 0.323220 Nb\n0.500000 0.034180 0.176780 Nb\n0.500000 0.965820 0.823220 Nb\n0.000000 0.994790 0.590050 Nb\n0.000000 0.005210 0.409950 Nb\n0.500000 0.505210 0.090050 Nb\n0.500000 0.494790 0.909950 Nb\n0.000000 0.780917 0.463713 O\n0.000000 0.219083 0.536287 O\n0.500000 0.719083 0.963713 O\n0.500000 0.280917 0.036287 O\n0.000000 0.722440 0.548138 O\n0.000000 0.277560 0.451862 O\n0.500000 0.777560 0.048138 O\n0.500000 0.222440 0.951862 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.701726 0.791126 O\n0.500000 0.298274 0.208874 O\n0.000000 0.798274 0.291126 O\n0.000000 0.201726 0.708874 O\n0.500000 0.793992 0.879798 O\n0.500000 0.206008 0.120202 O\n0.000000 0.706008 0.379798 O\n0.000000 0.293992 0.620202 O\n0.500000 0.275424 0.867957 O\n0.500000 0.724576 0.132043 O\n0.000000 0.224576 0.367957 O\n0.000000 0.775424 0.632043 O\n0.000000 0.683156 0.720183 O\n0.000000 0.316844 0.279817 O\n0.500000 0.816844 0.220183 O\n0.500000 0.183156 0.779817 O\n0.500000 0.498450 0.669149 O\n0.500000 0.501550 0.330851 O\n0.000000 0.001550 0.169149 O\n0.000000 0.998450 0.830851 O\n0.500000 0.009049 0.583356 O\n0.500000 0.990951 0.416644 O\n0.000000 0.490951 0.083356 O\n0.000000 0.509049 0.916644 O\n",
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},
{
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"structure_string": "Rb8 Te4 Mo8 P8 O56\n1.0\n9.244815 0.000000 0.000000\n0.000000 11.524274 0.000000\n0.000000 0.000000 12.683044\nRb Te Mo P O\n8 4 8 8 56\ndirect\n0.031347 0.217484 0.683175 Rb\n0.468653 0.782516 0.183175 Rb\n0.468653 0.717484 0.816825 Rb\n0.968653 0.717484 0.683175 Rb\n0.968653 0.782516 0.316825 Rb\n0.531347 0.217484 0.816825 Rb\n0.531347 0.282516 0.183175 Rb\n0.031347 0.282516 0.316825 Rb\n0.127973 0.250000 0.000000 Te\n0.372027 0.750000 0.500000 Te\n0.872027 0.750000 0.000000 Te\n0.627973 0.250000 0.500000 Te\n0.252081 0.981561 0.879026 Mo\n0.752081 0.518439 0.379026 Mo\n0.752081 0.981561 0.620974 Mo\n0.747919 0.018439 0.120974 Mo\n0.252081 0.518439 0.120974 Mo\n0.247919 0.018439 0.379026 Mo\n0.747919 0.481561 0.879026 Mo\n0.247919 0.481561 0.620974 Mo\n0.634952 0.997639 0.367691 P\n0.634952 0.502361 0.632309 P\n0.865048 0.497639 0.132309 P\n0.865048 0.002361 0.867691 P\n0.365048 0.002361 0.632309 P\n0.365048 0.497639 0.367691 P\n0.134952 0.502361 0.867691 P\n0.134952 0.997639 0.132309 P\n0.642537 0.132366 0.368217 O\n0.642537 0.367634 0.631783 O\n0.857463 0.632366 0.131783 O\n0.857463 0.867634 0.868217 O\n0.357463 0.867634 0.631783 O\n0.357463 0.632366 0.368217 O\n0.142537 0.367634 0.868217 O\n0.142537 0.132366 0.131783 O\n0.520852 0.451533 0.362362 O\n0.520852 0.048467 0.637638 O\n0.979148 0.951533 0.137638 O\n0.979148 0.548467 0.862362 O\n0.479148 0.548467 0.637638 O\n0.479148 0.951533 0.362362 O\n0.020852 0.048467 0.862362 O\n0.020852 0.451533 0.137638 O\n0.709060 0.553319 0.532584 O\n0.709060 0.946681 0.467416 O\n0.790940 0.053319 0.967416 O\n0.790940 0.446681 0.032584 O\n0.312247 0.346600 0.661749 O\n0.290940 0.446681 0.467416 O\n0.209060 0.946681 0.032584 O\n0.209060 0.553319 0.967416 O\n0.687753 0.653400 0.338251 O\n0.687753 0.846600 0.661749 O\n0.812247 0.153400 0.161749 O\n0.812247 0.346600 0.838251 O\n0.263831 0.342901 0.072543 O\n0.263831 0.157099 0.927457 O\n0.236169 0.842901 0.427457 O\n0.236169 0.657099 0.572543 O\n0.736169 0.657099 0.927457 O\n0.736169 0.842901 0.072543 O\n0.763831 0.157099 0.572543 O\n0.763831 0.342901 0.427457 O\n0.275867 0.451910 0.271272 O\n0.275867 0.048090 0.728728 O\n0.224133 0.951910 0.228728 O\n0.224133 0.548090 0.771272 O\n0.724133 0.548090 0.728728 O\n0.724133 0.951910 0.271272 O\n0.775867 0.048090 0.771272 O\n0.775867 0.451910 0.228728 O\n0.436870 0.542803 0.110606 O\n0.436870 0.957197 0.889394 O\n0.063130 0.042803 0.389394 O\n0.063130 0.457197 0.610606 O\n0.563130 0.457197 0.889394 O\n0.563130 0.042803 0.110606 O\n0.936870 0.957197 0.610606 O\n0.936870 0.542803 0.389394 O\n0.187753 0.653400 0.161749 O\n0.187753 0.846600 0.838251 O\n0.312247 0.153400 0.338251 O\n0.290940 0.053319 0.532584 O\n",
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"volume_molar": 9.687392935137652,
"formula_full": "Rb8 Te4 Mo8 P8 O56",
"formula_reduced": "Rb2TeMo2(PO7)2",
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},
{
"id": "mp-1208926",
"created_at": "2022-09-04T14:40:13.327483Z",
"structure_string": "Sm4 Ga18 Ir6\n1.0\n3.819382 -6.601147 0.000000\n3.819382 6.601147 0.000000\n0.000000 0.000000 9.585695\nSm Ga Ir\n4 18 6\ndirect\n0.997028 0.667928 0.250000 Sm\n0.002972 0.332072 0.750000 Sm\n0.667928 0.997028 0.250000 Sm\n0.332072 0.002972 0.750000 Sm\n0.127738 0.127737 0.250000 Ga\n0.872263 0.872262 0.750000 Ga\n0.000643 0.333853 0.078443 Ga\n0.999357 0.666147 0.921557 Ga\n0.999357 0.666147 0.578443 Ga\n0.333853 0.000643 0.421557 Ga\n0.000643 0.333853 0.421557 Ga\n0.666147 0.999357 0.578443 Ga\n0.666147 0.999357 0.921557 Ga\n0.333853 0.000643 0.078443 Ga\n0.333775 0.333775 0.561099 Ga\n0.666225 0.666225 0.438901 Ga\n0.666225 0.666225 0.061099 Ga\n0.333775 0.333775 0.938901 Ga\n0.338137 0.544364 0.250000 Ga\n0.661863 0.455636 0.750000 Ga\n0.544364 0.338137 0.250000 Ga\n0.455636 0.661863 0.750000 Ga\n0.671031 0.328969 0.000000 Ir\n0.328969 0.671031 0.000000 Ir\n0.328969 0.671031 0.500000 Ir\n0.671031 0.328969 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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],
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"formula_full": "Sm4 Ga18 Ir6",
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},
{
"id": "mp-27316",
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"structure_string": "Rb10 Zr8 F42\n1.0\n11.450953 0.000000 0.000000\n0.000000 8.025535 0.000000\n0.000000 1.685192 11.630341\nRb Zr F\n10 8 42\ndirect\n0.521497 0.684732 0.114416 Rb\n0.021497 0.315268 0.885584 Rb\n0.489911 0.975904 0.744294 Rb\n0.989911 0.024096 0.255706 Rb\n0.826479 0.833883 0.904752 Rb\n0.326479 0.166117 0.095248 Rb\n0.640146 0.806564 0.455771 Rb\n0.140146 0.193436 0.544229 Rb\n0.975872 0.717780 0.608346 Rb\n0.475872 0.282220 0.391654 Rb\n0.841908 0.534270 0.276310 Zr\n0.341908 0.465730 0.723690 Zr\n0.694663 0.174320 0.092478 Zr\n0.194663 0.825680 0.907522 Zr\n0.660082 0.502425 0.771499 Zr\n0.160082 0.497575 0.228501 Zr\n0.801791 0.216114 0.593556 Zr\n0.301791 0.783886 0.406444 Zr\n0.896079 0.058740 0.712309 F\n0.396079 0.941260 0.287691 F\n0.936255 0.376359 0.602378 F\n0.436255 0.623641 0.397622 F\n0.877495 0.052330 0.497227 F\n0.377495 0.947670 0.502773 F\n0.832208 0.519943 0.809943 F\n0.332208 0.480057 0.190057 F\n0.643621 0.113260 0.559811 F\n0.143621 0.886740 0.440189 F\n0.668062 0.565360 0.301617 F\n0.168062 0.434640 0.698383 F\n0.696592 0.456295 0.598570 F\n0.196592 0.543705 0.401430 F\n0.793811 0.671643 0.126203 F\n0.596292 0.655208 0.882268 F\n0.870078 0.704382 0.383006 F\n0.370078 0.295618 0.616994 F\n0.997579 0.389305 0.323771 F\n0.497579 0.610695 0.676229 F\n0.106547 0.986879 0.990133 F\n0.606547 0.013121 0.009867 F\n0.205810 0.993282 0.764019 F\n0.705810 0.006718 0.235981 F\n0.004401 0.653213 0.198842 F\n0.504401 0.346787 0.801158 F\n0.351259 0.896264 0.966442 F\n0.851259 0.103736 0.033558 F\n0.220684 0.763403 0.241476 F\n0.720684 0.236597 0.758524 F\n0.054863 0.714553 0.844436 F\n0.554863 0.285447 0.155564 F\n0.306717 0.670380 0.819637 F\n0.806717 0.329620 0.180363 F\n0.293862 0.653142 0.581161 F\n0.793862 0.346858 0.418839 F\n0.206185 0.260394 0.310673 F\n0.706185 0.739606 0.689327 F\n0.182249 0.638062 0.047768 F\n0.682249 0.361938 0.952232 F\n0.293811 0.328357 0.873797 F\n0.096292 0.344792 0.117732 F\n",
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}
]
}