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{
"id": "mp-561189",
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"structure_string": "Rb6 Si10 O23\n1.0\n4.829499 -8.364938 0.000000\n4.829499 8.364938 0.000000\n0.000000 0.000000 8.299814\nRb Si O\n6 10 23\ndirect\n0.250521 0.000000 0.500000 Rb\n0.749479 0.749479 0.500000 Rb\n0.000000 0.236700 0.000000 Rb\n0.236700 0.000000 0.000000 Rb\n0.763300 0.763300 0.000000 Rb\n0.000000 0.250521 0.500000 Rb\n0.000000 0.605550 0.302430 Si\n0.666667 0.333333 0.195727 Si\n0.333333 0.666667 0.195727 Si\n0.394450 0.394450 0.302430 Si\n0.666667 0.333333 0.804273 Si\n0.394450 0.394450 0.697570 Si\n0.000000 0.605550 0.697570 Si\n0.605550 0.000000 0.302430 Si\n0.605550 0.000000 0.697570 Si\n0.333333 0.666667 0.804273 Si\n0.333333 0.666667 0.000000 O\n0.246448 0.246448 0.221428 O\n0.000000 0.753552 0.778572 O\n0.380896 0.380896 0.500000 O\n0.150299 0.573052 0.739597 O\n0.753552 0.000000 0.778572 O\n0.577247 0.426948 0.739597 O\n0.577247 0.426948 0.260403 O\n0.849701 0.422753 0.260403 O\n0.849701 0.422753 0.739597 O\n0.666667 0.333333 0.000000 O\n0.422753 0.849701 0.260403 O\n0.573052 0.150299 0.260403 O\n0.753552 0.000000 0.221428 O\n0.619104 0.000000 0.500000 O\n0.000000 0.753552 0.221428 O\n0.422753 0.849701 0.739597 O\n0.000000 0.619104 0.500000 O\n0.426948 0.577247 0.739597 O\n0.573052 0.150299 0.739597 O\n0.246448 0.246448 0.778572 O\n0.426948 0.577247 0.260403 O\n0.150299 0.573052 0.260403 O\n",
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},
{
"id": "mp-1238846",
"created_at": "2022-09-04T14:42:57.156596Z",
"structure_string": "K8 Cr16 S32\n1.0\n11.476104 0.000000 0.000000\n0.000000 8.095526 0.000000\n0.000000 0.000000 12.140850\nK Cr S\n8 16 32\ndirect\n0.063252 0.375589 0.662825 K\n0.936748 0.624411 0.162825 K\n0.436748 0.375589 0.162825 K\n0.563252 0.624411 0.662825 K\n0.097563 0.874722 0.336538 K\n0.902437 0.125278 0.836538 K\n0.402437 0.874722 0.836538 K\n0.597563 0.125278 0.336538 K\n0.115000 0.851437 0.694824 Cr\n0.885000 0.148563 0.194824 Cr\n0.385000 0.851437 0.194824 Cr\n0.615000 0.148563 0.694824 Cr\n0.139378 0.345481 0.327236 Cr\n0.860622 0.654519 0.827236 Cr\n0.360622 0.345481 0.827236 Cr\n0.639378 0.654519 0.327236 Cr\n0.156078 0.619043 0.931056 Cr\n0.843922 0.380957 0.431056 Cr\n0.343922 0.619043 0.431056 Cr\n0.656078 0.380957 0.931056 Cr\n0.150842 0.111855 0.012338 Cr\n0.849158 0.888145 0.512338 Cr\n0.349158 0.111855 0.512338 Cr\n0.650842 0.888145 0.012338 Cr\n0.026026 0.815724 0.865749 S\n0.973974 0.184276 0.365749 S\n0.473974 0.815724 0.365749 S\n0.526026 0.184276 0.865749 S\n0.057928 0.294388 0.149409 S\n0.942072 0.705612 0.649409 S\n0.442072 0.294388 0.649409 S\n0.557928 0.705612 0.149409 S\n0.991865 0.471881 0.911576 S\n0.008135 0.528119 0.411576 S\n0.508135 0.471881 0.411576 S\n0.491865 0.528119 0.911576 S\n0.988248 0.976143 0.086913 S\n0.011752 0.023857 0.586913 S\n0.511752 0.976143 0.586913 S\n0.488248 0.023857 0.086913 S\n0.264048 0.835093 0.543760 S\n0.735952 0.164907 0.043760 S\n0.235952 0.835093 0.043760 S\n0.764048 0.164907 0.543760 S\n0.249244 0.371048 0.490345 S\n0.750756 0.628952 0.990345 S\n0.250756 0.371048 0.990345 S\n0.749244 0.628952 0.490345 S\n0.198726 0.112731 0.815118 S\n0.801274 0.887269 0.315118 S\n0.301274 0.112731 0.315118 S\n0.698726 0.887269 0.815118 S\n0.244372 0.597460 0.769315 S\n0.755628 0.402540 0.269315 S\n0.255628 0.597460 0.269315 S\n0.744372 0.402540 0.769315 S\n",
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"elements": [
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],
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"volume": 1127.9468628255106,
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"formula_full": "K8 Cr16 S32",
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{
"id": "mp-976220",
"created_at": "2022-09-04T14:42:57.058472Z",
"structure_string": "Na1 Cd1 Hg2\n1.0\n0.000000 3.674640 3.674640\n3.674640 0.000000 3.674640\n3.674640 3.674640 0.000000\nNa Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
"id": "mp-1100637",
"created_at": "2022-09-04T14:42:57.158914Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.444091 10.560238 0.000000\n-1.444091 10.560238 0.000000\n0.000000 4.019891 9.515737\nLi Mn Co O\n9 2 5 16\ndirect\n0.636266 0.636266 0.797581 Li\n0.867089 0.867089 0.456581 Li\n0.130651 0.130651 0.054869 Li\n0.127816 0.127816 0.554369 Li\n0.369111 0.369111 0.196479 Li\n0.628868 0.628868 0.313794 Li\n0.867384 0.867384 0.942181 Li\n0.374461 0.374461 0.676483 Li\n0.250467 0.250467 0.624828 Li\n0.999949 0.999949 0.003968 Mn\n0.499985 0.499985 0.746075 Mn\n0.499651 0.499651 0.253650 Co\n0.753639 0.753639 0.854613 Co\n0.000575 0.000575 0.494204 Co\n0.249458 0.249458 0.126121 Co\n0.746544 0.746544 0.396315 Co\n0.556801 0.556801 0.023715 O\n0.811027 0.811027 0.672375 O\n0.055353 0.055353 0.279331 O\n0.051102 0.051102 0.795763 O\n0.309664 0.309664 0.397965 O\n0.560388 0.560388 0.524505 O\n0.803496 0.803496 0.152163 O\n0.302017 0.302017 0.928616 O\n0.688778 0.688778 0.579302 O\n0.948720 0.948720 0.206625 O\n0.190353 0.190353 0.851425 O\n0.198201 0.198201 0.324268 O\n0.442381 0.442381 0.983887 O\n0.695418 0.695418 0.100009 O\n0.943888 0.943888 0.720160 O\n0.440496 0.440496 0.467776 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1179227",
"created_at": "2022-09-04T14:42:57.165072Z",
"structure_string": "Sr10 Cr6 Cl2 O24\n1.0\n5.141283 -8.904964 0.000000\n5.141283 8.904964 0.000000\n0.000000 0.000000 7.379301\nSr Cr Cl O\n10 6 2 24\ndirect\n0.998049 0.746016 0.755729 Sr\n0.333333 0.666667 0.497773 Sr\n0.746016 0.747967 0.255729 Sr\n0.666667 0.333333 0.499973 Sr\n0.252033 0.998049 0.255729 Sr\n0.253984 0.252033 0.755729 Sr\n0.001951 0.253984 0.255729 Sr\n0.666667 0.333333 0.997773 Sr\n0.747967 0.001951 0.755729 Sr\n0.333333 0.666667 0.999973 Sr\n0.032102 0.405363 0.753485 Cr\n0.373262 0.967898 0.753485 Cr\n0.594637 0.626738 0.753485 Cr\n0.967898 0.594637 0.253485 Cr\n0.626738 0.032102 0.253485 Cr\n0.405363 0.373262 0.253485 Cr\n0.000000 0.000000 0.509941 Cl\n0.000000 0.000000 0.009941 Cl\n0.161743 0.681526 0.250595 O\n0.735773 0.097953 0.444831 O\n0.093298 0.346885 0.570310 O\n0.264227 0.902047 0.944831 O\n0.130419 0.599694 0.746320 O\n0.253587 0.906702 0.570310 O\n0.519782 0.838257 0.250595 O\n0.480218 0.161743 0.750595 O\n0.653115 0.746413 0.570310 O\n0.400306 0.530725 0.746320 O\n0.318474 0.480218 0.250595 O\n0.362180 0.264227 0.444831 O\n0.906702 0.653115 0.070310 O\n0.838257 0.318474 0.750595 O\n0.869581 0.400306 0.246320 O\n0.097953 0.362180 0.944831 O\n0.902047 0.637820 0.444831 O\n0.599694 0.469275 0.246320 O\n0.346885 0.253587 0.070310 O\n0.681526 0.519782 0.750595 O\n0.637820 0.735773 0.944831 O\n0.746413 0.093298 0.070310 O\n0.469275 0.869581 0.746320 O\n0.530725 0.130419 0.246320 O\n",
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{
"id": "mp-1210509",
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"structure_string": "Pr12 Co6 Pb1\n1.0\n-5.099736 5.099736 5.099736\n5.099736 -5.099736 5.099736\n5.099736 5.099736 -5.099736\nPr Co Pb\n12 6 1\ndirect\n0.811165 0.690839 0.502004 Pr\n0.188835 0.309161 0.497996 Pr\n0.188835 0.690839 0.879674 Pr\n0.811165 0.309161 0.120326 Pr\n0.690839 0.502004 0.811165 Pr\n0.309161 0.497996 0.188835 Pr\n0.690839 0.879674 0.188835 Pr\n0.309161 0.120326 0.811165 Pr\n0.502004 0.811165 0.690839 Pr\n0.497996 0.188835 0.309161 Pr\n0.120326 0.811165 0.309161 Pr\n0.879674 0.188835 0.690839 Pr\n0.888893 0.388893 0.500000 Co\n0.111107 0.611107 0.500000 Co\n0.388893 0.500000 0.888893 Co\n0.611107 0.500000 0.111107 Co\n0.500000 0.888893 0.388893 Co\n0.500000 0.111107 0.611107 Co\n0.000000 0.000000 0.000000 Pb\n",
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{
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"structure_string": "Lu4 Si4 Pt8\n1.0\n5.478124 0.000000 0.000000\n0.000000 6.959193 0.000000\n0.000000 0.000000 7.243015\nLu Si Pt\n4 4 8\ndirect\n0.360021 0.750000 0.027677 Lu\n0.139979 0.750000 0.527677 Lu\n0.639979 0.250000 0.972323 Lu\n0.860021 0.250000 0.472323 Lu\n0.639098 0.750000 0.380695 Si\n0.860902 0.750000 0.880695 Si\n0.360902 0.250000 0.619305 Si\n0.139098 0.250000 0.119305 Si\n0.908247 0.549674 0.182235 Pt\n0.591753 0.950326 0.682235 Pt\n0.091753 0.049674 0.817765 Pt\n0.408247 0.450326 0.317765 Pt\n0.091753 0.450326 0.817765 Pt\n0.408247 0.049674 0.317765 Pt\n0.908247 0.950326 0.182235 Pt\n0.591753 0.549674 0.682235 Pt\n",
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"formula_full": "Lu4 Si4 Pt8",
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{
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"structure_string": "Ag2 C2 N2 O2\n1.0\n4.495990 1.838391 -1.923892\n-1.498697 4.498974 -2.192740\n-0.450274 -1.838390 4.869553\nAg C N O\n2 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.750000 0.750000 0.000000 N\n0.250000 0.250000 0.000000 N\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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{
"id": "mp-1173996",
"created_at": "2022-09-04T14:42:57.156257Z",
"structure_string": "Li5 Co3 O8\n1.0\n5.841079 0.000000 0.000000\n0.000000 4.967496 0.000000\n0.000000 1.656620 4.782176\nLi Co O\n5 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.742324 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.257676 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.255321 0.000000 0.000000 Co\n0.744679 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.229017 0.254543 0.219329 O\n0.500000 0.777884 0.240054 O\n0.770983 0.254543 0.219329 O\n0.000000 0.745177 0.224717 O\n0.770983 0.745457 0.780671 O\n0.000000 0.254823 0.775283 O\n0.229017 0.745457 0.780671 O\n0.500000 0.222116 0.759946 O\n",
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"formula_full": "Li5 Co3 O8",
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{
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"structure_string": "Rb6 B2 As4\n1.0\n4.788907 4.987936 0.000000\n-4.788907 4.987936 0.000000\n0.000000 3.386153 9.041887\nRb B As\n6 2 4\ndirect\n0.148705 0.851295 0.250000 Rb\n0.851295 0.148705 0.750000 Rb\n0.756443 0.649647 0.019073 Rb\n0.350353 0.243557 0.480927 Rb\n0.243557 0.350353 0.980927 Rb\n0.649647 0.756443 0.519073 Rb\n0.216861 0.783139 0.750000 B\n0.783139 0.216861 0.250000 B\n0.093633 0.651230 0.644064 As\n0.348770 0.906367 0.855936 As\n0.651230 0.093633 0.144064 As\n0.906367 0.348770 0.355936 As\n",
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"formula_full": "K1 Ni2 Se2",
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{
"id": "mp-1186039",
"created_at": "2022-09-04T14:42:57.188500Z",
"structure_string": "Na3 Eu1\n1.0\n0.000000 4.322297 4.322297\n4.322297 0.000000 4.322297\n4.322297 4.322297 0.000000\nNa Eu\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Eu\n",
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"density": 2.271624167118948,
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"volume": 161.50047798037616,
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"formula_full": "Na3 Eu1",
"formula_reduced": "Na3Eu",
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"energy": -13.76222647,
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"updated_at": "2021-11-28T01:36:11.134000Z",
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}