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{
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{
"id": "mp-1197566",
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"structure_string": "Na4 Co4 P4 H40 C4 O40\n1.0\n-8.018258 0.000000 2.390287\n0.035188 0.000000 -9.960262\n0.000000 -11.890209 0.000000\nNa Co P H C O\n4 4 4 40 4 40\ndirect\n0.509061 0.541978 0.132105 Na\n0.490939 0.958022 0.632105 Na\n0.490939 0.458022 0.867895 Na\n0.509061 0.041978 0.367895 Na\n0.920315 0.807254 0.144150 Co\n0.079685 0.692746 0.644150 Co\n0.079685 0.192746 0.855850 Co\n0.920315 0.307254 0.355850 Co\n0.005764 0.841559 0.886252 P\n0.994236 0.658441 0.386252 P\n0.994236 0.158441 0.113748 P\n0.005764 0.341559 0.613748 P\n0.874379 0.533316 0.184145 H\n0.125621 0.966684 0.684145 H\n0.125621 0.466684 0.815855 H\n0.874379 0.033316 0.315855 H\n0.833411 0.533615 0.048238 H\n0.166589 0.966385 0.548238 H\n0.166589 0.466385 0.951762 H\n0.833411 0.033615 0.451762 H\n0.677219 0.733255 0.293910 H\n0.322781 0.766745 0.793910 H\n0.322781 0.266745 0.706090 H\n0.677219 0.233255 0.206090 H\n0.603829 0.828516 0.209013 H\n0.396171 0.671484 0.709013 H\n0.396171 0.171484 0.790987 H\n0.603829 0.328516 0.290987 H\n0.138714 0.443507 0.142652 H\n0.861286 0.056493 0.642652 H\n0.861286 0.556493 0.857348 H\n0.138714 0.943507 0.357348 H\n0.179886 0.606827 0.117519 H\n0.820114 0.893173 0.617519 H\n0.820114 0.393173 0.882481 H\n0.179886 0.106827 0.382481 H\n0.531010 0.265009 0.040798 H\n0.468990 0.234991 0.540798 H\n0.468990 0.734991 0.959202 H\n0.531010 0.765009 0.459202 H\n0.342248 0.267629 0.041282 H\n0.657752 0.232371 0.541282 H\n0.657752 0.732371 0.958718 H\n0.342248 0.767629 0.458718 H\n0.536384 0.503765 0.365684 H\n0.463616 0.996235 0.865684 H\n0.463616 0.496235 0.634316 H\n0.536384 0.003765 0.134316 H\n0.365511 0.386260 0.344903 H\n0.634489 0.113740 0.844903 H\n0.634489 0.613740 0.655097 H\n0.365511 0.886260 0.155097 H\n0.190165 0.836816 0.974604 C\n0.809835 0.663184 0.474604 C\n0.809835 0.163184 0.025396 C\n0.190165 0.336816 0.525396 C\n0.864082 0.819796 0.972980 O\n0.135918 0.680204 0.472980 O\n0.135918 0.180204 0.027020 O\n0.864082 0.319796 0.527020 O\n0.981630 0.717211 0.804111 O\n0.018370 0.782789 0.304111 O\n0.018370 0.282789 0.195889 O\n0.981630 0.217211 0.695889 O\n0.047093 0.981271 0.821999 O\n0.952907 0.518729 0.321999 O\n0.952907 0.018729 0.178001 O\n0.047093 0.481271 0.678001 O\n0.168304 0.823854 0.081086 O\n0.831696 0.676146 0.581086 O\n0.831696 0.176146 0.918914 O\n0.168304 0.323854 0.418914 O\n0.327329 0.840143 0.926757 O\n0.672671 0.659857 0.426757 O\n0.672671 0.159857 0.073243 O\n0.327329 0.340143 0.573243 O\n0.828664 0.578510 0.122327 O\n0.171336 0.921490 0.622327 O\n0.171336 0.421490 0.877673 O\n0.828664 0.078510 0.377673 O\n0.671448 0.760548 0.213864 O\n0.328552 0.739452 0.713864 O\n0.328552 0.239452 0.786136 O\n0.671448 0.260548 0.286136 O\n0.211094 0.522674 0.097453 O\n0.788906 0.977326 0.597453 O\n0.788906 0.477326 0.902547 O\n0.211094 0.022674 0.402547 O\n0.459898 0.328325 0.038445 O\n0.540102 0.171675 0.538445 O\n0.540102 0.671675 0.961555 O\n0.459898 0.828325 0.461555 O\n0.476817 0.431271 0.311519 O\n0.523183 0.068729 0.811519 O\n0.523183 0.568729 0.688481 O\n0.476817 0.931271 0.188481 O\n",
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{
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"structure_string": "Cs6 Sr2 Cu4 C14 S14 N14\n1.0\n-5.496544 5.496544 10.126404\n5.496544 -5.496544 10.126404\n5.496544 5.496544 -10.126404\nCs Sr Cu C S N\n6 2 4 14 14 14\ndirect\n0.961699 0.437185 0.000000 Cs\n0.437185 0.961699 0.000000 Cs\n0.500000 0.000000 0.500000 Cs\n0.038301 0.038301 0.475486 Cs\n0.000000 0.500000 0.500000 Cs\n0.562815 0.562815 0.524514 Cs\n0.403980 0.403980 0.000000 Sr\n0.596020 0.596020 0.000000 Sr\n0.951456 0.951456 0.704791 Cu\n0.048544 0.753335 0.000000 Cu\n0.246665 0.246665 0.295209 Cu\n0.753335 0.048544 0.000000 Cu\n0.429870 0.039089 0.760633 C\n0.793364 0.793364 0.000000 C\n0.705958 0.705958 0.420072 C\n0.721544 0.960911 0.390781 C\n0.039089 0.429870 0.760633 C\n0.570130 0.330763 0.609219 C\n0.714114 0.294042 0.000000 C\n0.669237 0.278456 0.239367 C\n0.285886 0.285886 0.579928 C\n0.278456 0.669237 0.239367 C\n0.206636 0.206636 0.000000 C\n0.960911 0.721544 0.390781 C\n0.330763 0.570130 0.609219 C\n0.294042 0.714114 0.000000 C\n0.829118 0.077943 0.600703 S\n0.228414 0.477240 0.399297 S\n0.803483 0.803483 0.631040 S\n0.077943 0.829118 0.600703 S\n0.875443 0.875443 0.000000 S\n0.827557 0.196517 0.000000 S\n0.170882 0.771586 0.248825 S\n0.771586 0.170882 0.248825 S\n0.477240 0.228414 0.399297 S\n0.522760 0.922057 0.751175 S\n0.124557 0.124557 0.000000 S\n0.172443 0.172443 0.368960 S\n0.922057 0.522760 0.751175 S\n0.196517 0.827557 0.000000 S\n0.634670 0.366716 0.000000 N\n0.366716 0.634670 0.000000 N\n0.735008 0.735008 0.000000 N\n0.595589 0.356679 0.232594 N\n0.643321 0.875915 0.238910 N\n0.633284 0.633284 0.267954 N\n0.362995 0.124085 0.767406 N\n0.404411 0.637005 0.761090 N\n0.124085 0.362995 0.767406 N\n0.365330 0.365330 0.732046 N\n0.637005 0.404411 0.761090 N\n0.264992 0.264992 0.000000 N\n0.875915 0.643321 0.238910 N\n0.356679 0.595589 0.232594 N\n",
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{
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"formula_full": "Na2 Mn2 P4 H20 N2 O20",
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{
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"structure_string": "K12 H12 Pt4 S8 Br8 O28\n1.0\n7.139833 0.000000 0.000000\n0.000000 8.866062 0.000000\n0.000000 3.672194 21.683405\nK H Pt S Br O\n12 12 4 8 8 28\ndirect\n0.594534 0.645359 0.238467 K\n0.094534 0.354641 0.261533 K\n0.405466 0.354641 0.761533 K\n0.905466 0.645359 0.738467 K\n0.631390 0.728787 0.010059 K\n0.131390 0.271213 0.489941 K\n0.368610 0.271213 0.989941 K\n0.868610 0.728787 0.510059 K\n0.103490 0.886167 0.129958 K\n0.603490 0.113833 0.370042 K\n0.896510 0.113833 0.870042 K\n0.396510 0.886167 0.629958 K\n0.533564 0.965238 0.781302 H\n0.033564 0.034762 0.718698 H\n0.466436 0.034762 0.218698 H\n0.966436 0.965238 0.281302 H\n0.249803 0.556804 0.064314 H\n0.749803 0.443196 0.435686 H\n0.750197 0.443196 0.935686 H\n0.250197 0.556804 0.564314 H\n0.393415 0.465100 0.109707 H\n0.893415 0.534900 0.390293 H\n0.606585 0.534900 0.890293 H\n0.106585 0.465100 0.609707 H\n0.273246 0.782667 0.872268 Pt\n0.773246 0.217333 0.627732 Pt\n0.726754 0.217333 0.127732 Pt\n0.226754 0.782667 0.372268 Pt\n0.426701 0.725339 0.788994 S\n0.926701 0.274661 0.711006 S\n0.573299 0.274661 0.211006 S\n0.073299 0.725339 0.288994 S\n0.416920 0.011439 0.875380 S\n0.916920 0.988561 0.624620 S\n0.583080 0.988561 0.124620 S\n0.083080 0.011439 0.375380 S\n0.113426 0.524662 0.878626 Br\n0.613426 0.475338 0.621374 Br\n0.886574 0.475338 0.121374 Br\n0.386574 0.524662 0.378626 Br\n0.099748 0.818445 0.968506 Br\n0.599748 0.181555 0.531494 Br\n0.900252 0.181555 0.031494 Br\n0.400252 0.818445 0.468506 Br\n0.281442 0.135802 0.880790 O\n0.781442 0.864198 0.619210 O\n0.718558 0.864198 0.119210 O\n0.218558 0.135802 0.380790 O\n0.529837 0.868110 0.752384 O\n0.029837 0.131890 0.747616 O\n0.470163 0.131890 0.247616 O\n0.970163 0.868110 0.252384 O\n0.303710 0.671461 0.742817 O\n0.803710 0.328539 0.757183 O\n0.696290 0.328539 0.257183 O\n0.196290 0.671461 0.242817 O\n0.575009 0.609549 0.809763 O\n0.075009 0.390451 0.690237 O\n0.424991 0.390451 0.190237 O\n0.924991 0.609549 0.309763 O\n0.528095 0.065741 0.814949 O\n0.028095 0.934259 0.685051 O\n0.471905 0.934259 0.185051 O\n0.971905 0.065741 0.314949 O\n0.556085 0.994146 0.926135 O\n0.056085 0.005854 0.573865 O\n0.443915 0.005854 0.073865 O\n0.943915 0.994146 0.426135 O\n0.376637 0.515914 0.066291 O\n0.876637 0.484086 0.433709 O\n0.623363 0.484086 0.933709 O\n0.123363 0.515914 0.566291 O\n",
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"elements": [
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"density": 2.229027842443495,
"density_atomic": 0.05545368701692714,
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"volume_molar": 10.859766201229782,
"formula_full": "Ag2 As2 S32 N32 O16 F12",
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"total_magnetization": 6.7e-06,
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"updated_at": "2021-11-28T01:37:31.259000Z",
"spacegroup": 2
},
{
"id": "mp-1177623",
"created_at": "2022-09-04T14:46:17.779483Z",
"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n6.078336 0.000000 0.000000\n0.000000 10.475899 0.000000\n0.000000 0.010524 14.296581\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.749599 0.001462 0.667397 Li\n0.248338 0.000907 0.999501 Li\n0.751662 0.000907 0.999501 Li\n0.249191 0.000942 0.333452 Li\n0.750809 0.000942 0.333452 Li\n0.250401 0.001462 0.667397 Li\n0.249753 0.498846 0.500511 Li\n0.750247 0.498846 0.500511 Li\n0.249258 0.498439 0.167488 Li\n0.750742 0.498439 0.167488 Li\n0.250436 0.498842 0.832767 Li\n0.749564 0.498842 0.832767 Li\n0.500000 0.781840 0.160562 Mn\n0.500000 0.781034 0.826338 Mn\n0.000000 0.719063 0.659958 Mn\n0.500000 0.279532 0.006763 Mn\n0.500000 0.781530 0.492244 Fe\n0.000000 0.719498 0.992528 Fe\n0.000000 0.718562 0.326003 Fe\n0.500000 0.280301 0.341951 Fe\n0.500000 0.276446 0.673211 Co\n0.000000 0.222817 0.839346 Co\n0.000000 0.219996 0.506742 Co\n0.000000 0.219497 0.173543 Co\n0.000000 0.909971 0.806143 P\n0.000000 0.907519 0.138122 P\n0.000000 0.907931 0.471953 P\n0.500000 0.592393 0.307328 P\n0.500000 0.590988 0.637360 P\n0.500000 0.592641 0.973018 P\n0.000000 0.404309 0.361143 P\n0.000000 0.404891 0.028895 P\n0.000000 0.402717 0.693950 P\n0.500000 0.094697 0.859544 P\n0.500000 0.096164 0.194972 P\n0.500000 0.096446 0.527192 P\n0.500000 0.959908 0.238356 O\n0.500000 0.959175 0.569103 O\n0.500000 0.958332 0.902743 O\n0.000000 0.906159 0.579397 O\n0.000000 0.903957 0.913615 O\n0.000000 0.902525 0.245756 O\n0.202220 0.837762 0.092587 O\n0.797780 0.837762 0.092587 O\n0.203032 0.836269 0.427938 O\n0.796968 0.836269 0.427938 O\n0.202104 0.840024 0.760508 O\n0.797896 0.840024 0.760508 O\n0.702038 0.661698 0.592173 O\n0.297962 0.661698 0.592173 O\n0.703433 0.663333 0.263156 O\n0.296567 0.663333 0.263156 O\n0.703556 0.663822 0.929564 O\n0.296444 0.663822 0.929564 O\n0.500000 0.594882 0.414724 O\n0.500000 0.592943 0.080481 O\n0.500000 0.595758 0.744980 O\n0.000000 0.541573 0.402648 O\n0.000000 0.543241 0.068289 O\n0.000000 0.539527 0.736924 O\n0.500000 0.455731 0.265227 O\n0.500000 0.456819 0.929392 O\n0.500000 0.452735 0.598017 O\n0.000000 0.402388 0.253605 O\n0.000000 0.399275 0.921173 O\n0.000000 0.402605 0.586355 O\n0.201197 0.335080 0.075147 O\n0.201628 0.332670 0.406137 O\n0.203756 0.331666 0.737872 O\n0.796244 0.331666 0.737872 O\n0.798803 0.335080 0.075147 O\n0.798372 0.332670 0.406137 O\n0.704794 0.164700 0.902976 O\n0.295206 0.164700 0.902976 O\n0.704421 0.167579 0.238086 O\n0.703784 0.168175 0.571187 O\n0.295579 0.167579 0.238086 O\n0.296216 0.168175 0.571187 O\n0.500000 0.096539 0.751768 O\n0.500000 0.097134 0.419695 O\n0.500000 0.094608 0.087358 O\n0.000000 0.047851 0.766053 O\n0.000000 0.046027 0.098399 O\n0.000000 0.045095 0.430239 O\n",
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"elements": [
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"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
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}
]
}