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{
"id": "mp-15641",
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{
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{
"id": "mp-28545",
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"structure_string": "Rb4 Li4 O4\n1.0\n3.559867 0.000000 0.000000\n0.000000 6.605233 0.000000\n0.000000 0.000000 9.117514\nRb Li O\n4 4 4\ndirect\n0.250000 0.995763 0.822979 Rb\n0.750000 0.004237 0.177021 Rb\n0.250000 0.495763 0.677021 Rb\n0.750000 0.504237 0.322979 Rb\n0.750000 0.897563 0.497334 Li\n0.250000 0.602437 0.997334 Li\n0.750000 0.397563 0.002666 Li\n0.250000 0.102437 0.502666 Li\n0.250000 0.810826 0.453269 O\n0.750000 0.689174 0.953269 O\n0.250000 0.310826 0.046731 O\n0.750000 0.189174 0.546731 O\n",
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"volume": 214.38695378923407,
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"formula_full": "Rb4 Li4 O4",
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"updated_at": "2021-11-28T01:35:08.697000Z",
"spacegroup": 62
},
{
"id": "mp-1103100",
"created_at": "2022-09-04T14:41:07.398474Z",
"structure_string": "Bi8 S4\n1.0\n-0.045490 0.000000 4.168119\n7.297542 0.000000 -1.839048\n0.000000 11.884725 0.000000\nBi S\n8 4\ndirect\n0.537229 0.009054 0.347451 Bi\n0.962771 0.990946 0.847451 Bi\n0.462771 0.990946 0.652549 Bi\n0.037229 0.009054 0.152549 Bi\n0.202828 0.374648 0.379110 Bi\n0.297172 0.625352 0.879110 Bi\n0.797172 0.625352 0.620890 Bi\n0.702828 0.374648 0.120890 Bi\n0.675143 0.346944 0.899662 S\n0.824857 0.653056 0.399662 S\n0.324857 0.653056 0.100338 S\n0.175143 0.346944 0.600338 S\n",
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"elements": [
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{
"id": "mp-571472",
"created_at": "2022-09-04T14:41:12.726495Z",
"structure_string": "Ce6 Cu2 Si2 Se14\n1.0\n5.331037 -9.233627 0.000000\n5.331037 9.233627 0.000000\n0.000000 0.000000 6.110237\nCe Cu Si Se\n6 2 2 14\ndirect\n0.228754 0.873572 0.729627 Ce\n0.126428 0.355182 0.729627 Ce\n0.771246 0.126428 0.229627 Ce\n0.355182 0.228754 0.229627 Ce\n0.873572 0.644818 0.229627 Ce\n0.644818 0.771246 0.729627 Ce\n0.000000 0.000000 0.691503 Cu\n0.000000 0.000000 0.191503 Cu\n0.666667 0.333333 0.820000 Si\n0.333333 0.666667 0.320000 Si\n0.894811 0.416377 0.966471 Se\n0.105189 0.583623 0.466471 Se\n0.583623 0.478434 0.966471 Se\n0.836023 0.090159 0.715218 Se\n0.909841 0.745864 0.715218 Se\n0.666667 0.333333 0.447347 Se\n0.254136 0.163977 0.715218 Se\n0.163977 0.909841 0.215218 Se\n0.521566 0.105189 0.966471 Se\n0.090159 0.254136 0.215218 Se\n0.745864 0.836023 0.215218 Se\n0.333333 0.666667 0.947347 Se\n0.416377 0.521566 0.466471 Se\n0.478434 0.894811 0.466471 Se\n",
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},
{
"id": "mp-554917",
"created_at": "2022-09-04T14:41:12.938356Z",
"structure_string": "Li2 Sn4 P6 O24\n1.0\n8.550063 0.019191 -0.036059\n-4.247145 6.246595 -4.035406\n-0.009880 0.006646 9.026113\nLi Sn P O\n2 4 6 24\ndirect\n0.773121 0.247730 0.423747 Li\n0.226879 0.752270 0.576253 Li\n0.644848 0.793732 0.441044 Sn\n0.864149 0.210154 0.066736 Sn\n0.135851 0.789846 0.933264 Sn\n0.355152 0.206268 0.558956 Sn\n0.039109 0.006566 0.752688 P\n0.463153 0.717103 0.750115 P\n0.960891 0.993434 0.247312 P\n0.536847 0.282897 0.249885 P\n0.749675 0.291381 0.745688 P\n0.250325 0.708619 0.254312 P\n0.253686 0.881587 0.430059 O\n0.829094 0.838393 0.298916 O\n0.884303 0.126234 0.247290 O\n0.735630 0.336182 0.233203 O\n0.380738 0.088470 0.076423 O\n0.746314 0.118413 0.569941 O\n0.264370 0.663818 0.766797 O\n0.162721 0.155946 0.377802 O\n0.619262 0.911530 0.923577 O\n0.552035 0.252199 0.733998 O\n0.961547 0.860880 0.058939 O\n0.038453 0.139120 0.941061 O\n0.837279 0.844054 0.622198 O\n0.447965 0.747801 0.266002 O\n0.170906 0.161607 0.701084 O\n0.110244 0.500757 0.248017 O\n0.478284 0.528606 0.697312 O\n0.470434 0.765128 0.601097 O\n0.889756 0.499243 0.751983 O\n0.115697 0.873766 0.752710 O\n0.521716 0.471394 0.302688 O\n0.529566 0.234872 0.398903 O\n0.815919 0.298672 0.906962 O\n0.184081 0.701328 0.093038 O\n",
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"formula_full": "Li2 Sn4 P6 O24",
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"spacegroup": 2
},
{
"id": "mp-562903",
"created_at": "2022-09-04T14:41:06.324570Z",
"structure_string": "Co2 H36 C8 N14 O16\n1.0\n18.576895 0.000000 0.000000\n0.000000 6.317484 0.000000\n0.000000 0.209794 6.377627\nCo H C N O\n2 36 8 14 16\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.684649 0.795212 0.116338 H\n0.201838 0.853067 0.791223 H\n0.014136 0.149556 0.329661 H\n0.813945 0.754818 0.838180 H\n0.798147 0.070553 0.636708 H\n0.798162 0.146933 0.208777 H\n0.863749 0.971851 0.938726 H\n0.298162 0.853067 0.791223 H\n0.201853 0.929447 0.363292 H\n0.570574 0.181460 0.394569 H\n0.636251 0.971851 0.938726 H\n0.701838 0.146933 0.208777 H\n0.960690 0.304187 0.179633 H\n0.985864 0.850444 0.670339 H\n0.136251 0.028149 0.061274 H\n0.250000 0.668021 0.953783 H\n0.184649 0.204788 0.883662 H\n0.686055 0.754818 0.838180 H\n0.363749 0.028149 0.061274 H\n0.250000 0.708713 0.265371 H\n0.815351 0.795212 0.116338 H\n0.186055 0.245182 0.161820 H\n0.315351 0.204788 0.883662 H\n0.514136 0.850444 0.670339 H\n0.539310 0.304187 0.179633 H\n0.313945 0.245182 0.161820 H\n0.929426 0.181460 0.394569 H\n0.429426 0.818540 0.605431 H\n0.039310 0.695813 0.820367 H\n0.070574 0.818540 0.605431 H\n0.750000 0.331979 0.046217 H\n0.460690 0.695813 0.820367 H\n0.701853 0.070553 0.636708 H\n0.485864 0.149556 0.329661 H\n0.750000 0.291287 0.734629 H\n0.298147 0.929447 0.363292 H\n0.684255 0.872586 0.960157 C\n0.315745 0.127414 0.039843 C\n0.250000 0.880521 0.278964 C\n0.184255 0.127414 0.039843 C\n0.750000 0.170662 0.112562 C\n0.250000 0.829338 0.887438 C\n0.750000 0.119479 0.721036 C\n0.815745 0.872586 0.960157 C\n0.956548 0.364984 0.751267 N\n0.043452 0.635016 0.248733 N\n0.526907 0.258010 0.331181 N\n0.904074 0.624942 0.440951 N\n0.750000 0.011415 0.938209 N\n0.404074 0.375058 0.559049 N\n0.026907 0.741990 0.668819 N\n0.595926 0.624942 0.440951 N\n0.973093 0.258010 0.331181 N\n0.473093 0.741990 0.668819 N\n0.095926 0.375058 0.559049 N\n0.543452 0.364984 0.751267 N\n0.456548 0.635016 0.248733 N\n0.250000 0.988585 0.061791 N\n0.105509 0.179640 0.546437 O\n0.428350 0.522581 0.113064 O\n0.894491 0.820360 0.453563 O\n0.852656 0.506957 0.397318 O\n0.394491 0.179640 0.546437 O\n0.928350 0.477419 0.886936 O\n0.955895 0.167928 0.774668 O\n0.605509 0.820360 0.453563 O\n0.571650 0.477419 0.886936 O\n0.147344 0.493043 0.602682 O\n0.071650 0.522581 0.113064 O\n0.544105 0.167928 0.774668 O\n0.647344 0.506957 0.397318 O\n0.044105 0.832072 0.225332 O\n0.455895 0.832072 0.225332 O\n0.352656 0.493043 0.602682 O\n",
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"formula_full": "Co2 H36 C8 N14 O16",
"formula_reduced": "CoH18C4N7O8",
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"energy": -444.94742458,
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}
]
}