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{
"id": "mp-1226308",
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"formula_full": "Cs8 Sn42 Hg4",
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{
"id": "mp-1226638",
"created_at": "2022-09-04T14:45:13.099768Z",
"structure_string": "Ce2 Sb2 Pd2\n1.0\n-2.592318 -4.492895 0.000131\n-5.184635 0.000000 0.000000\n0.000000 0.000937 -5.743347\nCe Sb Pd\n2 2 2\ndirect\n0.999810 0.000095 0.741021 Ce\n0.000190 0.999905 0.258979 Ce\n0.666804 0.666598 0.004138 Sb\n0.333196 0.333402 0.995862 Sb\n0.332737 0.333632 0.498711 Pd\n0.667263 0.666368 0.501289 Pd\n",
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"spacegroup": 191
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{
"id": "mp-1198100",
"created_at": "2022-09-04T14:45:13.103757Z",
"structure_string": "Tm4 Al4 Fe30\n1.0\n4.160972 -7.207015 0.000000\n4.160972 7.207015 0.000000\n0.000000 0.000000 8.374007\nTm Al Fe\n4 4 30\ndirect\n0.000000 0.000000 0.250000 Tm\n0.000000 0.000000 0.750000 Tm\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.333333 0.666667 0.399778 Al\n0.666667 0.333333 0.600222 Al\n0.666667 0.333333 0.899778 Al\n0.333333 0.666667 0.100222 Al\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.330572 0.361837 0.250000 Fe\n0.638163 0.968735 0.250000 Fe\n0.031265 0.669428 0.250000 Fe\n0.638163 0.669428 0.250000 Fe\n0.031265 0.361837 0.250000 Fe\n0.330572 0.968735 0.250000 Fe\n0.669428 0.638163 0.750000 Fe\n0.361837 0.031265 0.750000 Fe\n0.968735 0.330572 0.750000 Fe\n0.361837 0.330572 0.750000 Fe\n0.968735 0.638163 0.750000 Fe\n0.669428 0.031265 0.750000 Fe\n0.165387 0.834613 0.512081 Fe\n0.165387 0.330774 0.512081 Fe\n0.669226 0.834613 0.512081 Fe\n0.834613 0.165387 0.487919 Fe\n0.834613 0.669226 0.487919 Fe\n0.330774 0.165387 0.487919 Fe\n0.834613 0.165387 0.012081 Fe\n0.834613 0.669226 0.012081 Fe\n0.330774 0.165387 0.012081 Fe\n0.165387 0.834613 0.987919 Fe\n0.165387 0.330774 0.987919 Fe\n0.669226 0.834613 0.987919 Fe\n",
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"formula_full": "Tm4 Al4 Fe30",
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{
"id": "mp-23717",
"created_at": "2022-09-04T14:45:13.139691Z",
"structure_string": "Ca2 Mg1 P2 H4 O10\n1.0\n5.512519 0.000000 0.000000\n-1.854529 5.467900 0.000000\n-0.850676 -2.492349 6.362888\nCa Mg P H O\n2 1 2 4 10\ndirect\n0.348224 0.700634 0.240486 Ca\n0.651776 0.299366 0.759514 Ca\n0.000000 0.000000 0.000000 Mg\n0.336647 0.663869 0.756510 P\n0.663353 0.336131 0.243490 P\n0.853842 0.876109 0.602335 H\n0.146158 0.123891 0.397665 H\n0.080402 0.171350 0.683701 H\n0.919598 0.828650 0.316299 H\n0.931579 0.049845 0.722609 O\n0.403455 0.257371 0.073553 O\n0.596545 0.742629 0.926447 O\n0.890927 0.333434 0.127465 O\n0.109073 0.666566 0.872535 O\n0.632857 0.160753 0.375058 O\n0.367143 0.839247 0.624942 O\n0.722232 0.627270 0.383842 O\n0.277768 0.372730 0.616158 O\n0.068421 0.950155 0.277391 O\n",
"nsites": 19,
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"formula_full": "Ca2 Mg1 P2 H4 O10",
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"spacegroup": 2
},
{
"id": "mp-1028404",
"created_at": "2022-09-04T14:45:13.164235Z",
"structure_string": "Mg14 Nb1 Co1\n1.0\n6.285855 0.119033 0.000000\n-3.039842 5.265160 0.000000\n0.000000 0.000000 9.936781\nMg Nb Co\n14 1 1\ndirect\n0.166223 0.333111 0.625000 Mg\n0.169139 0.834569 0.625000 Mg\n0.656862 0.334551 0.125000 Mg\n0.662280 0.328813 0.625000 Mg\n0.656862 0.822310 0.125000 Mg\n0.662280 0.833466 0.625000 Mg\n0.328861 0.166917 0.357720 Mg\n0.328861 0.166917 0.892280 Mg\n0.328861 0.661944 0.357720 Mg\n0.328861 0.661944 0.892280 Mg\n0.856101 0.178051 0.356698 Mg\n0.856101 0.178051 0.893302 Mg\n0.843967 0.671984 0.374758 Mg\n0.843967 0.671984 0.875242 Mg\n0.144759 0.822379 0.125000 Nb\n0.166018 0.333008 0.125000 Co\n",
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"formula_full": "Mg14 Nb1 Co1",
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{
"id": "mp-867318",
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"structure_string": "Eu6 Tl2\n1.0\n3.702442 -6.412818 0.000000\n3.702442 6.412818 0.000000\n0.000000 0.000000 5.767821\nEu Tl\n6 2\ndirect\n0.175449 0.350899 0.250000 Eu\n0.649101 0.824551 0.250000 Eu\n0.175449 0.824551 0.250000 Eu\n0.824551 0.649101 0.750000 Eu\n0.350899 0.175449 0.750000 Eu\n0.824551 0.175449 0.750000 Eu\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n",
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{
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"structure_string": "Ca8 Eu4 Be4 O20\n1.0\n6.529702 0.000000 0.000000\n0.000000 7.184199 0.000000\n0.000000 0.000000 9.420882\nCa Eu Be O\n8 4 4 20\ndirect\n0.580996 0.523871 0.826101 Ca\n0.419004 0.476129 0.173899 Ca\n0.080996 0.476129 0.673899 Ca\n0.419004 0.023871 0.173899 Ca\n0.919004 0.523871 0.326101 Ca\n0.580996 0.976129 0.826101 Ca\n0.919004 0.976129 0.326101 Ca\n0.080996 0.023871 0.673899 Ca\n0.092882 0.750000 0.977215 Eu\n0.907118 0.250000 0.022785 Eu\n0.592882 0.250000 0.522785 Eu\n0.407118 0.750000 0.477215 Eu\n0.810948 0.750000 0.605120 Be\n0.189052 0.250000 0.394880 Be\n0.310948 0.250000 0.894880 Be\n0.689052 0.750000 0.105120 Be\n0.332684 0.750000 0.722784 O\n0.667316 0.250000 0.277216 O\n0.832684 0.250000 0.777216 O\n0.167316 0.750000 0.222784 O\n0.865049 0.750000 0.778130 O\n0.134951 0.250000 0.221870 O\n0.365049 0.250000 0.721870 O\n0.634951 0.750000 0.278130 O\n0.024484 0.750000 0.511381 O\n0.975516 0.250000 0.488619 O\n0.524484 0.250000 0.988619 O\n0.475516 0.750000 0.011381 O\n0.686131 0.558809 0.570790 O\n0.313869 0.441191 0.429210 O\n0.186131 0.441191 0.929210 O\n0.313869 0.058809 0.429210 O\n0.813869 0.558809 0.070790 O\n0.686131 0.941191 0.570790 O\n0.813869 0.941191 0.070790 O\n0.186131 0.058809 0.929210 O\n",
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{
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"structure_string": "Pr4 Re12 O64\n1.0\n7.496237 0.000000 0.000000\n0.000000 11.444285 0.000000\n0.000000 1.041260 16.145557\nPr Re O\n4 12 64\ndirect\n0.896507 0.794169 0.658109 Pr\n0.103493 0.205831 0.341891 Pr\n0.396507 0.205831 0.841891 Pr\n0.603493 0.794169 0.158109 Pr\n0.370795 0.857132 0.921712 Re\n0.629205 0.142868 0.078288 Re\n0.870795 0.142868 0.578288 Re\n0.129205 0.857132 0.421712 Re\n0.380560 0.942675 0.663590 Re\n0.619440 0.057325 0.336410 Re\n0.880560 0.057325 0.836410 Re\n0.119440 0.942675 0.163590 Re\n0.223417 0.563290 0.570479 Re\n0.776583 0.436710 0.429521 Re\n0.723417 0.436710 0.929521 Re\n0.276583 0.563290 0.070479 Re\n0.345242 0.573471 0.967582 O\n0.654758 0.426529 0.032418 O\n0.845242 0.426529 0.532418 O\n0.154758 0.573471 0.467582 O\n0.274628 0.417176 0.599046 O\n0.725372 0.582824 0.400954 O\n0.774628 0.582824 0.900954 O\n0.225372 0.417176 0.099046 O\n0.331350 0.002286 0.565903 O\n0.668650 0.997714 0.434097 O\n0.831350 0.997714 0.934097 O\n0.168650 0.002286 0.065903 O\n0.495505 0.800841 0.843509 O\n0.504495 0.199159 0.156491 O\n0.995505 0.199159 0.656491 O\n0.004495 0.800841 0.343509 O\n0.052244 0.801704 0.521564 O\n0.947756 0.198296 0.478436 O\n0.552244 0.198296 0.978436 O\n0.447756 0.801704 0.021564 O\n0.893664 0.989220 0.588914 O\n0.106336 0.010780 0.411086 O\n0.393664 0.010780 0.911086 O\n0.606336 0.989220 0.088914 O\n0.285561 0.517859 0.780225 O\n0.714439 0.482141 0.219775 O\n0.785561 0.482141 0.719775 O\n0.214439 0.517859 0.280225 O\n0.148327 0.823038 0.907038 O\n0.851673 0.176962 0.092962 O\n0.648327 0.176962 0.592962 O\n0.351673 0.823038 0.407038 O\n0.053018 0.614076 0.637976 O\n0.946982 0.385924 0.362024 O\n0.553018 0.385924 0.862024 O\n0.446982 0.614076 0.137976 O\n0.914791 0.866631 0.161954 O\n0.085209 0.133369 0.838046 O\n0.414791 0.133369 0.338046 O\n0.585209 0.866631 0.661954 O\n0.986788 0.675349 0.798944 O\n0.013212 0.324651 0.201056 O\n0.486788 0.324651 0.701056 O\n0.513212 0.675349 0.298944 O\n0.714076 0.740964 0.530030 O\n0.285924 0.259036 0.469970 O\n0.214076 0.259036 0.969970 O\n0.785924 0.740964 0.030030 O\n0.887655 0.943723 0.768000 O\n0.112345 0.056277 0.232000 O\n0.387655 0.056277 0.732000 O\n0.612345 0.943723 0.268000 O\n0.205470 0.845621 0.693346 O\n0.794530 0.154379 0.306654 O\n0.705470 0.154379 0.806654 O\n0.294530 0.845621 0.193346 O\n0.207124 0.423040 0.785259 O\n0.792876 0.576960 0.214741 O\n0.707124 0.576960 0.714741 O\n0.292876 0.423040 0.285259 O\n0.414119 0.649103 0.579861 O\n0.585881 0.350897 0.420139 O\n0.914119 0.350897 0.920139 O\n0.085881 0.649103 0.079861 O\n",
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{
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{
"id": "mp-1079017",
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"elements": [
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{
"id": "mp-773025",
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"structure_string": "H48 Pt1 W6 C8 N24 O24\n1.0\n8.346495 -6.558958 0.000000\n8.346495 6.558958 0.000000\n3.192245 0.000000 10.123907\nH Pt W C N O\n48 1 6 8 24 24\ndirect\n0.862740 0.042277 0.721465 H\n0.854788 0.171128 0.350427 H\n0.885387 0.209687 0.493111 H\n0.957723 0.278535 0.137260 H\n0.649573 0.145212 0.828872 H\n0.478452 0.006914 0.361961 H\n0.506889 0.114613 0.790313 H\n0.923170 0.552426 0.678755 H\n0.993086 0.638039 0.521548 H\n0.953737 0.598270 0.865032 H\n0.580416 0.273072 0.381234 H\n0.761503 0.466026 0.529327 H\n0.790313 0.506889 0.114613 H\n0.321245 0.076830 0.447574 H\n0.401731 0.134968 0.046263 H\n0.470673 0.238497 0.533974 H\n0.618766 0.419584 0.726928 H\n0.828872 0.649573 0.145212 H\n0.278535 0.137260 0.957723 H\n0.726928 0.618766 0.419584 H\n0.447574 0.321245 0.076830 H\n0.134968 0.046263 0.401730 H\n0.638039 0.521548 0.993086 H\n0.533974 0.470673 0.238497 H\n0.466026 0.529327 0.761503 H\n0.361961 0.478452 0.006914 H\n0.865032 0.953737 0.598270 H\n0.552426 0.678755 0.923170 H\n0.273072 0.381234 0.580416 H\n0.721465 0.862740 0.042277 H\n0.171128 0.350427 0.854788 H\n0.381234 0.580416 0.273072 H\n0.529327 0.761503 0.466026 H\n0.598270 0.865032 0.953737 H\n0.678755 0.923170 0.552426 H\n0.209687 0.493111 0.885387 H\n0.238497 0.533974 0.470673 H\n0.419584 0.726928 0.618766 H\n0.046263 0.401730 0.134968 H\n0.006914 0.361961 0.478452 H\n0.076830 0.447574 0.321245 H\n0.493111 0.885387 0.209687 H\n0.521548 0.993086 0.638039 H\n0.350427 0.854788 0.171128 H\n0.042277 0.721465 0.862740 H\n0.114613 0.790313 0.506889 H\n0.145212 0.828872 0.649573 H\n0.137260 0.957723 0.278535 H\n0.000000 0.000000 0.000000 Pt\n0.896567 0.287098 0.819956 W\n0.712902 0.180044 0.103433 W\n0.180044 0.103433 0.712902 W\n0.819956 0.896567 0.287098 W\n0.287098 0.819956 0.896567 W\n0.103433 0.712902 0.180044 W\n0.968638 0.312990 0.318764 C\n0.681236 0.031362 0.687010 C\n0.687010 0.681236 0.031362 C\n0.585003 0.585003 0.585003 C\n0.414997 0.414997 0.414997 C\n0.312990 0.318764 0.968638 C\n0.318764 0.968638 0.312990 C\n0.031362 0.687010 0.681236 C\n0.812994 0.011820 0.664812 N\n0.898396 0.223467 0.393032 N\n0.988180 0.335188 0.187006 N\n0.606968 0.101604 0.776533 N\n0.981546 0.616323 0.621594 N\n0.378406 0.018454 0.383677 N\n0.497908 0.301313 0.447375 N\n0.776533 0.606968 0.101604 N\n0.698687 0.552625 0.502092 N\n0.335188 0.187006 0.988180 N\n0.552625 0.502092 0.698687 N\n0.383677 0.378406 0.018454 N\n0.616323 0.621594 0.981546 N\n0.447375 0.497908 0.301313 N\n0.664812 0.812994 0.011820 N\n0.301313 0.447375 0.497908 N\n0.223467 0.393032 0.898396 N\n0.502092 0.698687 0.552625 N\n0.621594 0.981546 0.616323 N\n0.018454 0.383677 0.378406 N\n0.393032 0.898396 0.223467 N\n0.011820 0.664812 0.812994 N\n0.101604 0.776533 0.606968 N\n0.187006 0.988180 0.335188 N\n0.977916 0.080887 0.809724 O\n0.919113 0.190276 0.022084 O\n0.766927 0.091315 0.275081 O\n0.854100 0.325396 0.657982 O\n0.724919 0.233073 0.908685 O\n0.870526 0.445702 0.862932 O\n0.554298 0.137068 0.129474 O\n0.674604 0.342018 0.145900 O\n0.342018 0.145900 0.674604 O\n0.908685 0.724919 0.233073 O\n0.190276 0.022084 0.919113 O\n0.137068 0.129474 0.554298 O\n0.862932 0.870526 0.445702 O\n0.809724 0.977916 0.080887 O\n0.091315 0.275081 0.766927 O\n0.657982 0.854100 0.325396 O\n0.325396 0.657982 0.854100 O\n0.445702 0.862932 0.870526 O\n0.129474 0.554298 0.137068 O\n0.275081 0.766927 0.091315 O\n0.145900 0.674604 0.342018 O\n0.233073 0.908685 0.724919 O\n0.080887 0.809724 0.977916 O\n0.022084 0.919113 0.190276 O\n",
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"C",
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],
"chemical_system": "C-H-N-O-Pt-W",
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"formula_full": "H48 Pt1 W6 C8 N24 O24",
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},
{
"id": "mp-1205619",
"created_at": "2022-09-04T14:45:14.936381Z",
"structure_string": "Nd4 Cd2 Rh4\n1.0\n7.580326 0.000000 0.000000\n0.000000 7.580326 0.000000\n0.000000 0.000000 3.986347\nNd Cd Rh\n4 2 4\ndirect\n0.670294 0.170294 0.500000 Nd\n0.329706 0.829706 0.500000 Nd\n0.170294 0.329706 0.500000 Nd\n0.829706 0.670294 0.500000 Nd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.131567 0.631567 0.000000 Rh\n0.868433 0.368433 0.000000 Rh\n0.631567 0.868433 0.000000 Rh\n0.368433 0.131567 0.000000 Rh\n",
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"formula_full": "Nd4 Cd2 Rh4",
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]
}