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{
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"results": [
{
"id": "mp-1200444",
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"structure_string": "Ba32 Si24 Sn4\n1.0\n8.826677 0.000000 0.000000\n0.000000 8.834765 0.000000\n0.000000 0.000000 27.433037\nBa Si Sn\n32 24 4\ndirect\n0.179586 0.550252 0.413840 Ba\n0.320414 0.949748 0.913840 Ba\n0.320414 0.050252 0.586160 Ba\n0.179586 0.449748 0.086160 Ba\n0.820414 0.449748 0.586160 Ba\n0.679586 0.050252 0.086160 Ba\n0.679586 0.949748 0.413840 Ba\n0.820414 0.550252 0.913840 Ba\n0.491517 0.685365 0.185863 Ba\n0.008483 0.814635 0.685863 Ba\n0.008483 0.185365 0.814137 Ba\n0.491517 0.314635 0.314137 Ba\n0.508483 0.314635 0.814137 Ba\n0.991517 0.185365 0.314137 Ba\n0.991517 0.814635 0.185863 Ba\n0.508483 0.685365 0.685863 Ba\n0.493198 0.711785 0.021835 Ba\n0.006802 0.788215 0.521835 Ba\n0.006802 0.211785 0.978165 Ba\n0.493198 0.288215 0.478165 Ba\n0.506802 0.288215 0.978165 Ba\n0.993198 0.211785 0.478165 Ba\n0.993198 0.788215 0.021835 Ba\n0.506802 0.711785 0.521835 Ba\n0.369562 0.825268 0.324828 Ba\n0.130438 0.674732 0.824828 Ba\n0.130438 0.325268 0.675172 Ba\n0.369562 0.174732 0.175172 Ba\n0.630438 0.174732 0.675172 Ba\n0.869562 0.325268 0.175172 Ba\n0.869562 0.674732 0.324828 Ba\n0.630438 0.825268 0.824828 Ba\n0.267545 0.868638 0.107668 Si\n0.232455 0.631362 0.607668 Si\n0.232455 0.368638 0.892332 Si\n0.267545 0.131362 0.392332 Si\n0.732455 0.131362 0.892332 Si\n0.767545 0.368638 0.392332 Si\n0.767545 0.631362 0.107668 Si\n0.732455 0.868638 0.607668 Si\n0.292860 0.059919 0.045960 Si\n0.207140 0.440081 0.545960 Si\n0.207140 0.559919 0.954040 Si\n0.292860 0.940081 0.454040 Si\n0.707140 0.940081 0.954040 Si\n0.792860 0.559919 0.454040 Si\n0.792860 0.440081 0.045960 Si\n0.707140 0.059919 0.545960 Si\n0.076482 0.070062 0.100608 Si\n0.423518 0.429938 0.600608 Si\n0.423518 0.570062 0.899392 Si\n0.076482 0.929938 0.399392 Si\n0.923518 0.929938 0.899392 Si\n0.576482 0.570062 0.399392 Si\n0.576482 0.429938 0.100608 Si\n0.923518 0.070062 0.600608 Si\n0.174025 0.500000 0.250000 Sn\n0.325975 0.000000 0.750000 Sn\n0.825975 0.500000 0.750000 Sn\n0.674025 0.000000 0.250000 Sn\n",
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"volume": 2139.272585191482,
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"formula_full": "Ba32 Si24 Sn4",
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"updated_at": "2021-11-28T01:36:05.413000Z",
"spacegroup": 60
},
{
"id": "mp-1228480",
"created_at": "2022-09-04T14:41:34.002414Z",
"structure_string": "Ba8 Si43 Ni3\n1.0\n7.341672 -7.340178 0.000000\n7.341672 7.340178 0.000000\n0.002989 0.000000 10.381635\nBa Si Ni\n8 43 3\ndirect\n0.253982 0.253982 0.253982 Ba\n0.746018 0.746018 0.746018 Ba\n0.500000 0.740830 0.259170 Ba\n0.740830 0.259170 0.500000 Ba\n0.259170 0.500000 0.740830 Ba\n0.000000 0.740370 0.259630 Ba\n0.740370 0.259630 0.000000 Ba\n0.259630 0.000000 0.740370 Ba\n0.434227 0.434227 0.434227 Si\n0.065614 0.065614 0.065614 Si\n0.063948 0.433280 0.065675 Si\n0.433596 0.064327 0.434081 Si\n0.433280 0.065675 0.063948 Si\n0.064327 0.434081 0.433596 Si\n0.065675 0.063948 0.433280 Si\n0.434081 0.433596 0.064327 Si\n0.565919 0.935673 0.566404 Si\n0.934325 0.566720 0.936052 Si\n0.934386 0.934386 0.934386 Si\n0.565773 0.565773 0.565773 Si\n0.935673 0.566404 0.565919 Si\n0.566720 0.936052 0.934325 Si\n0.566404 0.565919 0.935673 Si\n0.936052 0.934325 0.566720 Si\n0.249797 0.567710 0.381231 Si\n0.567710 0.381231 0.249797 Si\n0.381231 0.249797 0.567710 Si\n0.250054 0.943277 0.136630 Si\n0.943277 0.136630 0.250054 Si\n0.136630 0.250054 0.943277 Si\n0.249808 0.555782 0.133889 Si\n0.930793 0.378385 0.250020 Si\n0.250020 0.930793 0.378385 Si\n0.555782 0.133889 0.249808 Si\n0.378385 0.250020 0.930793 Si\n0.133889 0.249808 0.555782 Si\n0.621615 0.069207 0.749980 Si\n0.750192 0.866111 0.444218 Si\n0.432290 0.750203 0.618769 Si\n0.866111 0.444218 0.750192 Si\n0.749980 0.621615 0.069207 Si\n0.056723 0.749946 0.863370 Si\n0.863370 0.056723 0.749946 Si\n0.749946 0.863370 0.056723 Si\n0.618769 0.432290 0.750203 Si\n0.750203 0.618769 0.432290 Si\n0.069207 0.749980 0.621615 Si\n0.444218 0.750192 0.866111 Si\n0.000000 0.250091 0.749909 Si\n0.250091 0.749909 0.000000 Si\n0.749909 0.000000 0.250091 Si\n0.500000 0.250260 0.749740 Ni\n0.250260 0.749740 0.500000 Ni\n0.749740 0.500000 0.250260 Ni\n",
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"elements": [
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"Si",
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],
"chemical_system": "Ba-Ni-Si",
"density": 3.6839927162511,
"density_atomic": 0.04826101358600456,
"volume": 1118.9155798348113,
"volume_molar": 12.478272445041206,
"formula_full": "Ba8 Si43 Ni3",
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"formula_anonymous": "A3B8C43",
"energy": -277.65881553,
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"updated_at": "2021-11-28T01:35:29.457000Z",
"spacegroup": 155
},
{
"id": "mp-1228259",
"created_at": "2022-09-04T14:47:43.791258Z",
"structure_string": "Ba8 Si43 Au3\n1.0\n7.392573 -7.393993 0.000000\n7.392573 7.393993 0.000000\n-0.002838 0.000000 10.455681\nBa Si Au\n8 43 3\ndirect\n0.251735 0.251735 0.251735 Ba\n0.748265 0.748265 0.748265 Ba\n0.500000 0.738370 0.261630 Ba\n0.738370 0.261630 0.500000 Ba\n0.261630 0.500000 0.738370 Ba\n0.000000 0.738691 0.261309 Ba\n0.738691 0.261309 0.000000 Ba\n0.261309 0.000000 0.738691 Ba\n0.433458 0.433458 0.433458 Si\n0.064704 0.064704 0.064704 Si\n0.063638 0.432247 0.063169 Si\n0.434267 0.064006 0.432830 Si\n0.432247 0.063169 0.063638 Si\n0.064006 0.432830 0.434267 Si\n0.063169 0.063638 0.432247 Si\n0.432830 0.434267 0.064006 Si\n0.567170 0.935994 0.565733 Si\n0.936831 0.567753 0.936362 Si\n0.935296 0.935296 0.935296 Si\n0.566542 0.566542 0.566542 Si\n0.935994 0.565733 0.567170 Si\n0.567753 0.936362 0.936831 Si\n0.565733 0.567170 0.935994 Si\n0.936362 0.936831 0.567753 Si\n0.248480 0.553132 0.368861 Si\n0.553132 0.368861 0.248480 Si\n0.368861 0.248480 0.553132 Si\n0.247495 0.942490 0.131000 Si\n0.942490 0.131000 0.247495 Si\n0.131000 0.247495 0.942490 Si\n0.248269 0.554327 0.129795 Si\n0.944613 0.366386 0.248098 Si\n0.248098 0.944613 0.366386 Si\n0.554327 0.129795 0.248269 Si\n0.366386 0.248098 0.944613 Si\n0.129795 0.248269 0.554327 Si\n0.633614 0.055387 0.751902 Si\n0.751731 0.870205 0.445673 Si\n0.446868 0.751520 0.631139 Si\n0.870205 0.445673 0.751731 Si\n0.751902 0.633614 0.055387 Si\n0.057510 0.752505 0.869000 Si\n0.869000 0.057510 0.752505 Si\n0.752505 0.869000 0.057510 Si\n0.631139 0.446868 0.751520 Si\n0.751520 0.631139 0.446868 Si\n0.055387 0.751902 0.633614 Si\n0.445673 0.751731 0.870205 Si\n0.000000 0.252109 0.747891 Si\n0.252109 0.747891 0.000000 Si\n0.747891 0.000000 0.252109 Si\n0.500000 0.250326 0.749674 Au\n0.250326 0.749674 0.500000 Au\n0.749674 0.500000 0.250326 Au\n",
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"elements": [
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"density": 4.208907959736897,
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"spacegroup": 155
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{
"id": "mp-1214448",
"created_at": "2022-09-04T14:41:53.081084Z",
"structure_string": "Ba8 Sc3 Pt4 O18\n1.0\n8.277183 0.000000 0.000000\n0.000000 8.277183 0.000000\n0.000000 0.000000 8.277183\nBa Sc Pt O\n8 3 4 18\ndirect\n0.238574 0.238574 0.238574 Ba\n0.761426 0.761426 0.761426 Ba\n0.761426 0.761426 0.238574 Ba\n0.761426 0.238574 0.761426 Ba\n0.238574 0.238574 0.761426 Ba\n0.238574 0.761426 0.238574 Ba\n0.238574 0.761426 0.761426 Ba\n0.761426 0.238574 0.238574 Ba\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.254641 0.500000 0.000000 O\n0.745359 0.500000 0.000000 O\n0.000000 0.254641 0.500000 O\n0.500000 0.254641 0.000000 O\n0.000000 0.745359 0.500000 O\n0.500000 0.745359 0.000000 O\n0.500000 0.000000 0.254641 O\n0.254641 0.000000 0.500000 O\n0.500000 0.000000 0.745359 O\n0.745359 0.000000 0.500000 O\n0.000000 0.500000 0.254641 O\n0.000000 0.500000 0.745359 O\n0.245478 0.000000 0.000000 O\n0.754522 0.000000 0.000000 O\n0.000000 0.245478 0.000000 O\n0.000000 0.754522 0.000000 O\n0.000000 0.000000 0.245478 O\n0.000000 0.000000 0.754522 O\n",
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"formula_full": "Ba8 Sc3 Pt4 O18",
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},
{
"id": "mp-561455",
"created_at": "2022-09-04T14:41:16.909139Z",
"structure_string": "Ba32 Sb24 S68\n1.0\n14.015494 0.000000 0.000000\n0.000000 11.618297 0.000000\n0.000000 0.426819 22.885475\nBa Sb S\n32 24 68\ndirect\n0.842398 0.757192 0.929733 Ba\n0.157602 0.757192 0.429733 Ba\n0.343232 0.000000 0.750000 Ba\n0.495166 0.240301 0.101452 Ba\n0.516021 0.799179 0.618150 Ba\n0.516021 0.200821 0.881850 Ba\n0.504834 0.759699 0.898548 Ba\n0.161698 0.179569 0.884266 Ba\n0.483979 0.200821 0.381850 Ba\n0.497186 0.500000 0.750000 Ba\n0.838302 0.179569 0.384266 Ba\n0.841351 0.142911 0.885516 Ba\n0.161698 0.820431 0.615734 Ba\n0.158649 0.857089 0.114484 Ba\n0.495166 0.759699 0.398548 Ba\n0.169310 0.500000 0.750000 Ba\n0.830690 0.500000 0.250000 Ba\n0.169119 0.771278 0.910277 Ba\n0.158649 0.142911 0.385516 Ba\n0.483979 0.799179 0.118150 Ba\n0.842398 0.242808 0.570267 Ba\n0.153035 0.500000 0.250000 Ba\n0.157602 0.242808 0.070267 Ba\n0.656768 0.000000 0.250000 Ba\n0.841351 0.857089 0.614484 Ba\n0.838302 0.820431 0.115734 Ba\n0.502814 0.500000 0.250000 Ba\n0.504834 0.240301 0.601452 Ba\n0.169119 0.228722 0.589723 Ba\n0.830881 0.228722 0.089723 Ba\n0.830881 0.771278 0.410277 Ba\n0.846965 0.500000 0.750000 Ba\n0.308345 0.438113 0.424316 Sb\n0.017126 0.431948 0.424853 Sb\n0.998421 0.841627 0.279755 Sb\n0.332588 0.464335 0.908976 Sb\n0.347030 0.019632 0.994199 Sb\n0.998421 0.158373 0.220245 Sb\n0.308345 0.561887 0.075684 Sb\n0.320873 0.154344 0.223201 Sb\n0.017126 0.568052 0.075147 Sb\n0.691655 0.438113 0.924316 Sb\n0.667412 0.464335 0.408976 Sb\n0.667412 0.535665 0.091024 Sb\n0.982874 0.568052 0.575147 Sb\n0.320873 0.845656 0.276799 Sb\n0.652970 0.980368 0.005801 Sb\n0.982874 0.431948 0.924853 Sb\n0.679127 0.154344 0.723201 Sb\n0.679127 0.845656 0.776799 Sb\n0.652970 0.019632 0.494199 Sb\n0.001579 0.841627 0.779755 Sb\n0.347030 0.980368 0.505801 Sb\n0.691655 0.561887 0.575684 Sb\n0.332588 0.535665 0.591024 Sb\n0.001579 0.158373 0.720245 Sb\n0.847241 0.536747 0.049490 S\n0.332390 0.263797 0.485435 S\n0.002850 0.045105 0.629622 S\n0.992611 0.655252 0.833345 S\n0.174373 0.992820 0.503025 S\n0.642808 0.017448 0.113521 S\n0.710717 0.337050 0.831831 S\n0.020870 0.752399 0.020417 S\n0.825627 0.992820 0.003025 S\n0.171005 0.175837 0.740029 S\n0.289283 0.337050 0.331831 S\n0.334430 0.963668 0.366924 S\n0.644152 0.231839 0.487778 S\n0.289283 0.662950 0.168169 S\n0.295326 0.335870 0.170337 S\n0.327446 0.667792 0.672806 S\n0.665570 0.963668 0.866924 S\n0.490305 0.194112 0.242158 S\n0.327446 0.332208 0.827194 S\n0.992611 0.344748 0.666655 S\n0.525567 0.486541 0.897323 S\n0.332390 0.736203 0.014565 S\n0.509695 0.805888 0.757842 S\n0.020870 0.247601 0.479583 S\n0.324930 0.372241 0.660029 S\n0.667610 0.736203 0.514565 S\n0.672554 0.667792 0.172806 S\n0.828995 0.175837 0.240029 S\n0.007389 0.344748 0.166655 S\n0.002127 0.340667 0.329456 S\n0.525567 0.513459 0.602677 S\n0.295326 0.664130 0.329663 S\n0.174373 0.007180 0.996975 S\n0.667610 0.263797 0.985435 S\n0.704674 0.664130 0.829663 S\n0.675070 0.372241 0.160029 S\n0.152759 0.463253 0.950510 S\n0.847241 0.463253 0.450510 S\n0.672554 0.332208 0.327194 S\n0.474433 0.513459 0.102677 S\n0.979130 0.752399 0.520417 S\n0.355848 0.231839 0.987778 S\n0.355848 0.768161 0.512222 S\n0.152759 0.536747 0.549490 S\n0.997873 0.659333 0.670544 S\n0.324930 0.627759 0.839971 S\n0.509695 0.194112 0.742158 S\n0.007389 0.655252 0.333345 S\n0.828995 0.824163 0.259971 S\n0.997150 0.045105 0.129622 S\n0.665570 0.036332 0.633076 S\n0.171005 0.824163 0.759971 S\n0.825627 0.007180 0.496975 S\n0.357192 0.017448 0.613521 S\n0.644152 0.768161 0.012222 S\n0.997873 0.340667 0.829456 S\n0.979130 0.247601 0.979583 S\n0.490305 0.805888 0.257842 S\n0.334430 0.036332 0.133076 S\n0.675070 0.627759 0.339971 S\n0.474433 0.486541 0.397323 S\n0.642808 0.982552 0.386479 S\n0.704674 0.335870 0.670337 S\n0.002127 0.659333 0.170544 S\n0.710717 0.662950 0.668169 S\n0.997150 0.954895 0.370378 S\n0.357192 0.982552 0.886479 S\n0.002850 0.954895 0.870378 S\n",
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},
{
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