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{
"id": "mp-1218091",
"created_at": "2022-09-04T14:40:20.768116Z",
"structure_string": "Sr2 Pr2 Co4 O12\n1.0\n5.489401 0.000000 0.000000\n0.000000 5.551579 0.000000\n0.000000 5.435582 7.553714\nSr Pr Co O\n2 2 4 12\ndirect\n0.761874 0.248270 0.250999 Sr\n0.238126 0.248270 0.750999 Sr\n0.728894 0.759176 0.749251 Pr\n0.271106 0.759176 0.249251 Pr\n0.752177 0.999978 0.000056 Co\n0.247823 0.999978 0.500056 Co\n0.754149 0.499959 0.500053 Co\n0.245851 0.499959 0.000053 Co\n0.015573 0.185257 0.033804 O\n0.984427 0.185257 0.533804 O\n0.497879 0.799325 0.969157 O\n0.502121 0.799325 0.469157 O\n0.743640 0.698236 0.254209 O\n0.256360 0.698236 0.754209 O\n0.751627 0.319455 0.745979 O\n0.248373 0.319455 0.245979 O\n0.027003 0.772233 0.465882 O\n0.972997 0.772233 0.965882 O\n0.485160 0.218112 0.530610 O\n0.514840 0.218112 0.030610 O\n",
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{
"id": "mp-704116",
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"structure_string": "K2 Mn4 Zn6 Si24 O60\n1.0\n5.163265 -8.943038 0.000000\n5.163265 8.943038 0.000000\n0.000000 0.000000 14.375694\nK Mn Zn Si O\n2 4 6 24 60\ndirect\n0.000000 0.000000 0.247172 K\n0.000000 0.000000 0.747172 K\n0.333333 0.666667 0.250371 Mn\n0.333333 0.666667 0.750371 Mn\n0.666667 0.333333 0.250371 Mn\n0.666667 0.333333 0.750371 Mn\n0.000000 0.500000 0.750634 Zn\n0.500000 0.000000 0.250634 Zn\n0.500000 0.000000 0.750634 Zn\n0.500000 0.500000 0.750634 Zn\n0.000000 0.500000 0.250634 Zn\n0.500000 0.500000 0.250634 Zn\n0.235263 0.887133 0.389256 Si\n0.235290 0.348093 0.111926 Si\n0.887133 0.235263 0.889256 Si\n0.651870 0.887133 0.889256 Si\n0.348130 0.235263 0.389256 Si\n0.764710 0.651907 0.111926 Si\n0.764737 0.112867 0.389256 Si\n0.651907 0.764710 0.611926 Si\n0.651907 0.887197 0.111926 Si\n0.887197 0.235290 0.111926 Si\n0.235290 0.887197 0.611926 Si\n0.112867 0.764737 0.889256 Si\n0.112867 0.348130 0.389256 Si\n0.348130 0.112867 0.889256 Si\n0.348093 0.112803 0.111926 Si\n0.235263 0.348130 0.889256 Si\n0.651870 0.764737 0.389256 Si\n0.348093 0.235290 0.611926 Si\n0.112803 0.348093 0.611926 Si\n0.887197 0.651907 0.611926 Si\n0.764737 0.651870 0.889256 Si\n0.112803 0.764710 0.111926 Si\n0.887133 0.651870 0.389256 Si\n0.764710 0.112803 0.611926 Si\n0.877426 0.621586 0.500596 O\n0.276406 0.058341 0.360961 O\n0.744160 0.621586 0.000596 O\n0.502448 0.657748 0.671238 O\n0.657964 0.155588 0.329814 O\n0.342036 0.844412 0.329814 O\n0.217814 0.941687 0.140406 O\n0.497552 0.155300 0.171238 O\n0.782186 0.723873 0.640406 O\n0.378414 0.122574 0.000596 O\n0.276406 0.218064 0.860961 O\n0.744160 0.122574 0.500596 O\n0.255840 0.877426 0.500596 O\n0.217814 0.276127 0.640406 O\n0.621586 0.744160 0.500596 O\n0.218064 0.941659 0.860961 O\n0.657748 0.155300 0.671238 O\n0.844700 0.502448 0.671238 O\n0.155588 0.497624 0.329814 O\n0.058313 0.276127 0.140406 O\n0.155300 0.497552 0.671238 O\n0.621586 0.877426 0.000596 O\n0.276127 0.058313 0.640406 O\n0.276127 0.217814 0.140406 O\n0.723873 0.782186 0.140406 O\n0.155300 0.657748 0.171238 O\n0.342252 0.497552 0.171238 O\n0.844700 0.342252 0.171238 O\n0.378414 0.255840 0.500596 O\n0.941659 0.218064 0.360961 O\n0.218064 0.276406 0.360961 O\n0.723594 0.781936 0.860961 O\n0.941687 0.217814 0.640406 O\n0.941659 0.723594 0.860961 O\n0.342036 0.497624 0.829814 O\n0.155588 0.657964 0.829814 O\n0.723594 0.941659 0.360961 O\n0.782186 0.058313 0.140406 O\n0.497624 0.155588 0.829814 O\n0.255840 0.378414 0.000596 O\n0.781936 0.723594 0.360961 O\n0.342252 0.844700 0.671238 O\n0.058341 0.781936 0.360961 O\n0.941687 0.723873 0.140406 O\n0.844412 0.342036 0.829814 O\n0.502448 0.844700 0.171238 O\n0.657748 0.502448 0.171238 O\n0.502376 0.657964 0.329814 O\n0.781936 0.058341 0.860961 O\n0.723873 0.941687 0.640406 O\n0.497552 0.342252 0.671238 O\n0.058313 0.782186 0.640406 O\n0.657964 0.502376 0.829814 O\n0.877426 0.255840 0.000596 O\n0.502376 0.844412 0.829814 O\n0.122574 0.378414 0.500596 O\n0.844412 0.502376 0.329814 O\n0.058341 0.276406 0.860961 O\n0.497624 0.342036 0.329814 O\n0.122574 0.744160 0.000596 O\n",
"nsites": 96,
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"elements": [
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"density_atomic": 0.07231075998986496,
"volume": 1327.6032503801,
"volume_molar": 8.328139215856758,
"formula_full": "K2 Mn4 Zn6 Si24 O60",
"formula_reduced": "KMn2Zn3(Si2O5)6",
"formula_anonymous": "AB2C3D12E30",
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"spacegroup": 184
},
{
"id": "mp-1044124",
"created_at": "2022-09-04T14:40:54.346399Z",
"structure_string": "Mg4 Cu4 P8 O28\n1.0\n8.276941 0.000000 0.000000\n0.000000 6.975905 0.000000\n0.000000 3.270495 8.692604\nMg Cu P O\n4 4 8 28\ndirect\n0.938260 0.310026 0.816327 Mg\n0.438260 0.689974 0.683673 Mg\n0.561740 0.310026 0.316327 Mg\n0.061740 0.689974 0.183673 Mg\n0.069732 0.766657 0.608915 Cu\n0.930268 0.233343 0.391085 Cu\n0.569732 0.233343 0.891085 Cu\n0.430268 0.766657 0.108915 Cu\n0.732834 0.932026 0.243991 P\n0.230213 0.465709 0.971319 P\n0.767166 0.932026 0.743991 P\n0.269787 0.465709 0.471319 P\n0.232834 0.067974 0.256009 P\n0.730213 0.534291 0.528681 P\n0.769787 0.534291 0.028681 P\n0.267166 0.067974 0.756009 P\n0.182455 0.252258 0.100309 O\n0.609417 0.882915 0.685666 O\n0.890583 0.882915 0.185666 O\n0.393420 0.451811 0.895024 O\n0.817545 0.747742 0.899691 O\n0.091318 0.042400 0.369905 O\n0.606580 0.548189 0.104976 O\n0.090916 0.507028 0.858543 O\n0.258480 0.626594 0.551617 O\n0.908682 0.957600 0.630095 O\n0.408682 0.042400 0.869905 O\n0.760446 0.120789 0.793963 O\n0.260446 0.879211 0.706037 O\n0.317545 0.252258 0.600309 O\n0.591318 0.957600 0.130095 O\n0.109417 0.117085 0.814334 O\n0.239554 0.879211 0.206037 O\n0.909084 0.492972 0.141457 O\n0.241520 0.626594 0.051617 O\n0.758480 0.373406 0.948383 O\n0.893420 0.548189 0.604976 O\n0.409084 0.507028 0.358543 O\n0.590916 0.492972 0.641457 O\n0.390583 0.117085 0.314334 O\n0.739554 0.120789 0.293963 O\n0.106580 0.451811 0.395024 O\n0.741520 0.373406 0.448383 O\n0.682455 0.747742 0.399691 O\n",
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"formula_full": "Mg4 Cu4 P8 O28",
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"spacegroup": 14
},
{
"id": "mp-1213011",
"created_at": "2022-09-04T14:40:52.189834Z",
"structure_string": "Er4 Sb4 Ir4\n1.0\n4.479039 0.000000 0.000000\n0.000000 7.129732 0.000000\n0.000000 0.000000 7.986133\nEr Sb Ir\n4 4 4\ndirect\n0.250000 0.512864 0.188650 Er\n0.750000 0.487136 0.811350 Er\n0.750000 0.987136 0.688650 Er\n0.250000 0.012864 0.311350 Er\n0.250000 0.674230 0.586856 Sb\n0.750000 0.325770 0.413144 Sb\n0.750000 0.825770 0.086856 Sb\n0.250000 0.174230 0.913144 Sb\n0.250000 0.786133 0.907675 Ir\n0.750000 0.213867 0.092325 Ir\n0.750000 0.713867 0.407675 Ir\n0.250000 0.286133 0.592325 Ir\n",
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"elements": [
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"formula_full": "Er4 Sb4 Ir4",
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{
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"structure_string": "Ca1 Mg14 Ni1\n1.0\n6.325917 -0.000000 0.000000\n-3.162959 5.478405 -0.000000\n-0.000000 0.000000 10.087473\nCa Mg Ni\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.176906 0.838452 0.125000 Mg\n0.159044 0.829522 0.625000 Mg\n0.661548 0.323094 0.125000 Mg\n0.670478 0.340956 0.625000 Mg\n0.661548 0.838452 0.125000 Mg\n0.670478 0.829522 0.625000 Mg\n0.328555 0.171445 0.396146 Mg\n0.328555 0.171445 0.853854 Mg\n0.328555 0.657112 0.396146 Mg\n0.328555 0.657112 0.853854 Mg\n0.842888 0.171445 0.396146 Mg\n0.842888 0.171445 0.853854 Mg\n0.833333 0.666667 0.365290 Mg\n0.833333 0.666667 0.884710 Mg\n0.166667 0.333333 0.625000 Ni\n",
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{
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{
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"structure_string": "Mg2 Al3 Mo1 S8\n1.0\n6.271099 -0.000054 3.620775\n2.090372 6.026790 3.620683\n0.000080 -0.000060 7.241413\nMg Al Mo S\n2 3 1 8\ndirect\n0.873827 0.878517 0.873832 Mg\n0.126176 0.121484 0.126167 Mg\n0.500001 0.500010 0.499988 Al\n0.500001 0.499994 0.000000 Al\n0.999999 0.499993 0.500010 Al\n0.500000 0.999999 0.500004 Mo\n0.741765 0.730435 0.741773 S\n0.258216 0.269578 0.713989 S\n0.261979 0.714068 0.261981 S\n0.713989 0.269580 0.258211 S\n0.738017 0.285932 0.738012 S\n0.286012 0.730418 0.741787 S\n0.258234 0.269560 0.258236 S\n0.741788 0.730427 0.286012 S\n",
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"formula_full": "Mg2 Al3 Mo1 S8",
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{
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"structure_string": "Li5 Au1 O4\n1.0\n3.607902 0.000000 0.000000\n1.724109 5.098867 0.000000\n1.603093 0.480925 5.300482\nLi Au O\n5 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.814514 0.962966 0.396443 Li\n0.681927 0.661974 0.967405 Li\n0.318073 0.338026 0.032595 Li\n0.185486 0.037034 0.603557 Li\n0.500000 0.500000 0.500000 Au\n0.764986 0.312300 0.177517 O\n0.584587 0.141456 0.712963 O\n0.415413 0.858544 0.287037 O\n0.235014 0.687700 0.822483 O\n",
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"formula_full": "Li5 Au1 O4",
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{
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}