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{
"id": "mp-1370320",
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"structure_string": "Zn4 Co2 Ir2 O12\n1.0\n5.149328 0.000000 0.000000\n0.000000 5.133211 0.000000\n0.000000 5.097761 7.526938\nZn Co Ir O\n4 2 2 12\ndirect\n0.532365 0.758759 0.748861 Zn\n0.032365 0.241241 0.751139 Zn\n0.967635 0.758759 0.248861 Zn\n0.467635 0.241241 0.251139 Zn\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.084433 0.133444 0.252385 O\n0.319005 0.765382 0.561459 O\n0.325239 0.386038 0.934997 O\n0.825239 0.613962 0.565003 O\n0.819005 0.234618 0.938541 O\n0.584433 0.866556 0.247615 O\n0.415567 0.133444 0.752385 O\n0.180995 0.765382 0.061459 O\n0.174761 0.386038 0.434997 O\n0.680995 0.234618 0.438541 O\n0.674761 0.613962 0.065003 O\n0.915567 0.866556 0.747615 O\n",
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{
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"structure_string": "Sr4 Zr3 Ti1 O12\n1.0\n5.796401 0.000000 0.000000\n0.001828 -5.825189 0.000000\n0.003587 -0.000001 -8.206863\nSr Zr Ti O\n4 3 1 12\ndirect\n0.506182 0.026770 0.758255 Sr\n0.992801 0.522762 0.758091 Sr\n0.493818 0.973230 0.241745 Sr\n0.007199 0.477238 0.241909 Sr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ti\n0.434218 0.487292 0.759990 O\n0.073597 0.984949 0.751132 O\n0.565782 0.512708 0.240010 O\n0.926403 0.015051 0.248868 O\n0.721663 0.763350 0.966815 O\n0.788161 0.288519 0.541347 O\n0.288354 0.212279 0.459741 O\n0.237397 0.721657 0.033572 O\n0.278337 0.236650 0.033185 O\n0.211839 0.711481 0.458653 O\n0.711646 0.787721 0.540259 O\n0.762603 0.278343 0.966428 O\n",
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"formula_full": "Sr4 Zr3 Ti1 O12",
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},
{
"id": "mp-1228383",
"created_at": "2022-09-04T14:44:58.434727Z",
"structure_string": "Ca3 Fe6 Sn2 O16\n1.0\n0.000000 0.000000 3.107925\n9.357454 0.038721 0.000000\n0.045776 10.957792 0.000000\nCa Fe Sn O\n3 6 2 16\ndirect\n0.250000 0.254710 0.839403 Ca\n0.250000 0.755889 0.661271 Ca\n0.750000 0.743459 0.154143 Ca\n0.250000 0.938467 0.886953 Fe\n0.250000 0.436116 0.610730 Fe\n0.750000 0.066337 0.107586 Fe\n0.750000 0.551419 0.395743 Fe\n0.750000 0.093153 0.602783 Fe\n0.750000 0.586897 0.892450 Fe\n0.250000 0.921775 0.394972 Sn\n0.250000 0.410558 0.109606 Sn\n0.250000 0.616584 0.025915 O\n0.250000 0.111426 0.486593 O\n0.750000 0.382621 0.974593 O\n0.750000 0.875383 0.524868 O\n0.250000 0.916021 0.069859 O\n0.250000 0.429855 0.433786 O\n0.750000 0.082296 0.923187 O\n0.750000 0.583999 0.580383 O\n0.250000 0.706023 0.334419 O\n0.250000 0.196610 0.138047 O\n0.750000 0.297487 0.670552 O\n0.750000 0.794763 0.836712 O\n0.250000 0.025786 0.717446 O\n0.250000 0.529096 0.787973 O\n0.750000 0.961531 0.274536 O\n0.750000 0.482739 0.215491 O\n",
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],
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"formula_full": "Ca3 Fe6 Sn2 O16",
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},
{
"id": "mp-1191906",
"created_at": "2022-09-04T14:44:58.442832Z",
"structure_string": "Nd8 Fe2 S14\n1.0\n6.957071 0.000000 0.000000\n0.000000 9.824226 0.000000\n0.000000 4.890611 8.524000\nNd Fe S\n8 2 14\ndirect\n0.723356 0.375880 0.784643 Nd\n0.726654 0.839536 0.375674 Nd\n0.723259 0.785099 0.839882 Nd\n0.223356 0.624120 0.215357 Nd\n0.226654 0.160464 0.624326 Nd\n0.223259 0.214901 0.160118 Nd\n0.179557 0.661781 0.672049 Nd\n0.679557 0.338219 0.327951 Nd\n0.516591 0.003992 0.998894 Fe\n0.016591 0.996008 0.001106 Fe\n0.335722 0.238245 0.867813 S\n0.334294 0.897591 0.232317 S\n0.334011 0.871704 0.896846 S\n0.835722 0.761755 0.132187 S\n0.834294 0.102409 0.767683 S\n0.834011 0.128296 0.103154 S\n0.961784 0.514081 0.931839 S\n0.965584 0.554319 0.517610 S\n0.968619 0.925475 0.557793 S\n0.461784 0.485919 0.068161 S\n0.465584 0.445681 0.482390 S\n0.468619 0.074525 0.442207 S\n0.562572 0.668341 0.664934 S\n0.062572 0.331659 0.335066 S\n",
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"elements": [
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"density": 4.8868328510252725,
"density_atomic": 0.04119485898407929,
"volume": 582.5969694246401,
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"formula_full": "Nd8 Fe2 S14",
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"updated_at": "2021-11-28T01:36:47.097000Z",
"spacegroup": 4
},
{
"id": "mp-1374666",
"created_at": "2022-09-04T14:44:58.443334Z",
"structure_string": "Mg4 Fe8 O16\n1.0\n2.940035 0.000000 0.000000\n0.000000 8.999439 0.000000\n0.000000 0.000000 10.443705\nMg Fe O\n4 8 16\ndirect\n0.500000 0.248676 0.407067 Mg\n0.000000 0.754607 0.099345 Mg\n0.500000 0.748676 0.592933 Mg\n0.000000 0.254607 0.900655 Mg\n0.000000 0.417295 0.646224 Fe\n0.500000 0.082888 0.150283 Fe\n0.000000 0.917295 0.353776 Fe\n0.500000 0.582888 0.849717 Fe\n0.500000 0.567798 0.367378 Fe\n0.000000 0.433289 0.134880 Fe\n0.500000 0.067798 0.632622 Fe\n0.000000 0.933289 0.865120 Fe\n0.000000 0.908922 0.674504 O\n0.500000 0.091608 0.824625 O\n0.000000 0.408922 0.325496 O\n0.500000 0.591608 0.175375 O\n0.000000 0.026209 0.036593 O\n0.500000 0.967326 0.464221 O\n0.000000 0.526209 0.963407 O\n0.500000 0.467326 0.535779 O\n0.000000 0.623248 0.711837 O\n0.500000 0.374079 0.773729 O\n0.000000 0.123248 0.288163 O\n0.500000 0.874079 0.226271 O\n0.500000 0.791914 0.931298 O\n0.000000 0.211949 0.570249 O\n0.000000 0.711949 0.429751 O\n0.500000 0.291914 0.068702 O\n",
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"elements": [
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],
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"density": 4.807291764828253,
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"volume": 276.32649864160817,
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"formula_full": "Mg4 Fe8 O16",
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"formula_anonymous": "AB2C4",
"energy": -208.17307778,
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{
"id": "mp-1205069",
"created_at": "2022-09-04T14:44:58.422619Z",
"structure_string": "Co4 Sn4 N24 Cl20\n1.0\n23.718207 0.000000 0.000000\n0.000000 8.290148 0.000000\n0.000000 1.347217 8.755661\nCo Sn N Cl\n4 4 24 20\ndirect\n0.093759 0.072243 0.652644 Co\n0.593759 0.927757 0.847356 Co\n0.906241 0.927757 0.347356 Co\n0.406241 0.072243 0.152644 Co\n0.393943 0.656933 0.687391 Sn\n0.893943 0.343067 0.812609 Sn\n0.606057 0.343067 0.312609 Sn\n0.106057 0.656933 0.187391 Sn\n0.095927 0.115315 0.440433 N\n0.595927 0.884685 0.059567 N\n0.904073 0.884685 0.559567 N\n0.404073 0.115315 0.940433 N\n0.181526 0.341047 0.856514 N\n0.681526 0.658953 0.643486 N\n0.818474 0.658953 0.143486 N\n0.318474 0.341047 0.356514 N\n0.072151 0.238773 0.717453 N\n0.572151 0.761227 0.782547 N\n0.927849 0.761227 0.282547 N\n0.427849 0.238773 0.217453 N\n0.200004 0.388322 0.742807 N\n0.700004 0.611678 0.757193 N\n0.799996 0.611678 0.257193 N\n0.299996 0.388322 0.242807 N\n0.157706 0.026752 0.701576 N\n0.657706 0.973248 0.798424 N\n0.842294 0.973248 0.298424 N\n0.342294 0.026752 0.201576 N\n0.049656 0.924668 0.692752 N\n0.549656 0.075332 0.807248 N\n0.950344 0.075332 0.307248 N\n0.450344 0.924668 0.192752 N\n0.378664 0.633009 0.948435 Cl\n0.878664 0.366991 0.551565 Cl\n0.621336 0.366991 0.051565 Cl\n0.121336 0.633009 0.448435 Cl\n0.438873 0.902684 0.607719 Cl\n0.938873 0.097316 0.892281 Cl\n0.561127 0.097316 0.392281 Cl\n0.061127 0.902684 0.107719 Cl\n0.446969 0.438183 0.635449 Cl\n0.946969 0.561817 0.864551 Cl\n0.553031 0.561817 0.364551 Cl\n0.053031 0.438183 0.135449 Cl\n0.192066 0.659153 0.063207 Cl\n0.692066 0.340847 0.436793 Cl\n0.807934 0.340847 0.936793 Cl\n0.307934 0.659153 0.563207 Cl\n0.345542 0.193357 0.863621 Cl\n0.845542 0.806643 0.636379 Cl\n0.654458 0.806643 0.136379 Cl\n0.154458 0.193357 0.363621 Cl\n",
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"formula_full": "Co4 Sn4 N24 Cl20",
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"spacegroup": 14
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{
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"structure_string": "K6 V4 P4 O16 F6\n1.0\n4.631169 -5.900492 0.000000\n4.631169 5.900492 0.000000\n0.000000 0.000000 9.262735\nK V P O F\n6 4 4 16 6\ndirect\n0.472451 0.472451 0.761986 K\n0.527549 0.527549 0.261986 K\n0.860659 0.860659 0.420688 K\n0.139341 0.139341 0.920688 K\n0.784720 0.784720 0.035706 K\n0.215280 0.215280 0.535706 K\n0.938514 0.572329 0.746015 V\n0.061486 0.427671 0.246015 V\n0.572329 0.938514 0.746015 V\n0.427671 0.061486 0.246015 V\n0.254848 0.743649 0.499268 P\n0.256351 0.745152 0.999268 P\n0.745152 0.256351 0.999268 P\n0.743649 0.254848 0.499268 P\n0.084811 0.732236 0.902176 O\n0.915189 0.267764 0.402176 O\n0.267764 0.915189 0.402176 O\n0.732236 0.084811 0.902176 O\n0.237401 0.570880 0.094461 O\n0.570880 0.237401 0.094461 O\n0.429120 0.762599 0.594461 O\n0.762599 0.429120 0.594461 O\n0.232450 0.566522 0.406708 O\n0.767550 0.433478 0.906708 O\n0.566522 0.232450 0.406708 O\n0.433478 0.767550 0.906708 O\n0.266815 0.918217 0.094358 O\n0.918217 0.266815 0.094358 O\n0.081783 0.733185 0.594358 O\n0.733185 0.081783 0.594358 O\n0.758185 0.758185 0.748480 F\n0.241815 0.241815 0.248480 F\n0.892974 0.598530 0.245080 F\n0.107026 0.401470 0.745080 F\n0.598530 0.892974 0.245080 F\n0.401470 0.107026 0.745080 F\n",
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{
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