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{
"id": "mp-567317",
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{
"id": "mp-1190521",
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"structure_string": "Y10 Al6 C8\n1.0\n10.918992 0.000000 0.000000\n0.000000 10.918992 0.000000\n0.000000 0.000000 3.523549\nY Al C\n10 6 8\ndirect\n0.550819 0.729516 0.500000 Y\n0.449181 0.270484 0.500000 Y\n0.050819 0.770484 0.500000 Y\n0.949181 0.229516 0.500000 Y\n0.270484 0.550819 0.500000 Y\n0.729516 0.449181 0.500000 Y\n0.229516 0.050819 0.500000 Y\n0.770484 0.949181 0.500000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.703780 0.203780 0.000000 Al\n0.296220 0.796220 0.000000 Al\n0.203780 0.296220 0.000000 Al\n0.796220 0.703780 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.632892 0.132892 0.500000 C\n0.367108 0.867108 0.500000 C\n0.132892 0.367108 0.500000 C\n0.867108 0.632892 0.500000 C\n0.162397 0.662397 0.000000 C\n0.837603 0.337603 0.000000 C\n0.662397 0.837603 0.000000 C\n0.337603 0.162397 0.000000 C\n",
"nsites": 24,
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"formula_full": "Y10 Al6 C8",
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},
{
"id": "mp-17448",
"created_at": "2022-09-04T14:41:14.375349Z",
"structure_string": "Ba6 Ca2 Ir4 O18\n1.0\n5.166010 2.988019 0.000000\n-5.166010 2.988019 0.000000\n0.000000 0.332348 14.752954\nBa Ca Ir O\n6 2 4 18\ndirect\n0.670919 0.337223 0.413600 Ba\n0.662777 0.329081 0.086400 Ba\n0.001471 0.998529 0.250000 Ba\n0.998529 0.001471 0.750000 Ba\n0.337223 0.670919 0.913600 Ba\n0.329081 0.662777 0.586400 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.657231 0.324453 0.663408 Ir\n0.675547 0.342769 0.836592 Ir\n0.342769 0.675547 0.336592 Ir\n0.324453 0.657231 0.163408 Ir\n0.838917 0.660048 0.905622 O\n0.339952 0.161083 0.594378 O\n0.161083 0.339952 0.094378 O\n0.660048 0.838917 0.405622 O\n0.376454 0.196330 0.918471 O\n0.803670 0.623546 0.581529 O\n0.623546 0.803670 0.081529 O\n0.196330 0.376454 0.418471 O\n0.838752 0.195643 0.911246 O\n0.804357 0.161248 0.588754 O\n0.161248 0.804357 0.088754 O\n0.195643 0.838752 0.411246 O\n0.488814 0.511186 0.250000 O\n0.511186 0.488814 0.750000 O\n0.024111 0.510542 0.256428 O\n0.489458 0.975889 0.243572 O\n0.975889 0.489458 0.743572 O\n0.510542 0.024111 0.756428 O\n",
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],
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"density": 7.149466204248867,
"density_atomic": 0.06586787816958904,
"volume": 455.457209700295,
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"formula_full": "Ba6 Ca2 Ir4 O18",
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{
"id": "mp-1022715",
"created_at": "2022-09-04T14:41:14.383796Z",
"structure_string": "Ce1 Mg6 Zn1\n1.0\n6.665630 0.008649 0.000000\n-3.325325 5.776928 0.000000\n0.000000 0.000000 5.059594\nCe Mg Zn\n1 6 1\ndirect\n0.325746 0.174254 0.750000 Ce\n0.162242 0.820489 0.250000 Mg\n0.679511 0.337758 0.250000 Mg\n0.667823 0.832177 0.250000 Mg\n0.319774 0.660640 0.750000 Mg\n0.839360 0.180226 0.750000 Mg\n0.837150 0.662850 0.750000 Mg\n0.168395 0.331605 0.250000 Zn\n",
"nsites": 8,
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],
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"density": 2.992382843266913,
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"formula_full": "Ce1 Mg6 Zn1",
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"spacegroup": 38
},
{
"id": "mp-1220617",
"created_at": "2022-09-04T14:41:14.386072Z",
"structure_string": "Nd2 In3 Cu1\n1.0\n0.000000 0.000000 -3.816017\n-2.412687 -4.181087 0.000000\n-7.270349 4.199744 0.000000\nNd In Cu\n2 3 1\ndirect\n0.000000 0.000028 0.007857 Nd\n0.000000 0.499959 0.496831 Nd\n0.500000 0.499956 0.837352 In\n0.500000 0.499847 0.181865 In\n0.500000 0.999964 0.647269 In\n0.500000 0.000046 0.328826 Cu\n",
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{
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"created_at": "2022-09-04T14:41:14.403252Z",
"structure_string": "Sc8 B2 Cl12\n1.0\n3.612327 0.000000 0.000000\n0.000000 11.920145 0.000000\n0.000000 0.000000 12.350594\nSc B Cl\n8 2 12\ndirect\n0.000000 0.104881 0.083168 Sc\n0.000000 0.895119 0.916832 Sc\n0.000000 0.604881 0.416832 Sc\n0.000000 0.395119 0.583168 Sc\n0.500000 0.124566 0.853625 Sc\n0.500000 0.875434 0.146375 Sc\n0.500000 0.624566 0.646375 Sc\n0.500000 0.375434 0.353625 Sc\n0.500000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 B\n0.500000 0.268493 0.681313 Cl\n0.500000 0.731507 0.318687 Cl\n0.500000 0.768493 0.818687 Cl\n0.500000 0.231507 0.181313 Cl\n0.000000 0.256628 0.930457 Cl\n0.000000 0.743372 0.069543 Cl\n0.000000 0.479213 0.243518 Cl\n0.000000 0.520787 0.756482 Cl\n0.000000 0.979213 0.256482 Cl\n0.000000 0.020787 0.743518 Cl\n0.000000 0.243372 0.430457 Cl\n0.000000 0.756628 0.569543 Cl\n",
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{
"id": "mp-1195349",
"created_at": "2022-09-04T14:41:12.830320Z",
"structure_string": "Cu24 Ag16 P16 O72\n1.0\n11.616524 0.000000 0.000000\n0.000000 8.547840 0.000000\n0.000000 0.042918 16.534577\nCu Ag P O\n24 16 16 72\ndirect\n0.841649 0.788220 0.156952 Cu\n0.341649 0.211780 0.343048 Cu\n0.158351 0.211780 0.843048 Cu\n0.658351 0.788220 0.656952 Cu\n0.830146 0.475645 0.073596 Cu\n0.330146 0.524355 0.426404 Cu\n0.169854 0.524355 0.926404 Cu\n0.669854 0.475645 0.573596 Cu\n0.656250 0.501623 0.924302 Cu\n0.156250 0.498377 0.575698 Cu\n0.343750 0.498377 0.075698 Cu\n0.843750 0.501623 0.424302 Cu\n0.684744 0.195942 0.833762 Cu\n0.184744 0.804058 0.666238 Cu\n0.315256 0.804058 0.166238 Cu\n0.815256 0.195942 0.333762 Cu\n0.945570 0.501469 0.252236 Cu\n0.445570 0.498531 0.247764 Cu\n0.054430 0.498531 0.747764 Cu\n0.554430 0.501469 0.752236 Cu\n0.699506 0.493419 0.246321 Cu\n0.199506 0.506581 0.253679 Cu\n0.300494 0.506581 0.753679 Cu\n0.800494 0.493419 0.746321 Cu\n0.586026 0.247330 0.072732 Ag\n0.086026 0.752670 0.427268 Ag\n0.413974 0.752670 0.927268 Ag\n0.913974 0.247330 0.572732 Ag\n0.746999 0.992104 0.002935 Ag\n0.246999 0.007896 0.497065 Ag\n0.253001 0.007896 0.997065 Ag\n0.753001 0.992104 0.502935 Ag\n0.902958 0.745850 0.926411 Ag\n0.402958 0.254150 0.573589 Ag\n0.097042 0.254150 0.073589 Ag\n0.597042 0.745850 0.426411 Ag\n0.590881 0.999769 0.231857 Ag\n0.090881 0.000231 0.268143 Ag\n0.409119 0.000231 0.768143 Ag\n0.909119 0.999769 0.731857 Ag\n0.659363 0.834175 0.837962 P\n0.159363 0.165825 0.662038 P\n0.340637 0.165825 0.162038 P\n0.840637 0.834175 0.337962 P\n0.851242 0.158368 0.159049 P\n0.351242 0.841632 0.340951 P\n0.148758 0.841632 0.840951 P\n0.648758 0.158368 0.659049 P\n0.586374 0.657782 0.094310 P\n0.086374 0.342218 0.405690 P\n0.413626 0.342218 0.905690 P\n0.913626 0.657782 0.594310 P\n0.085111 0.667548 0.101730 P\n0.585111 0.332452 0.398270 P\n0.914889 0.332452 0.898270 P\n0.414889 0.667548 0.601730 P\n0.664947 0.546013 0.042231 O\n0.164947 0.453987 0.457769 O\n0.335053 0.453987 0.957769 O\n0.835053 0.546013 0.542231 O\n0.718499 0.717254 0.898500 O\n0.218499 0.282746 0.601500 O\n0.281501 0.282746 0.101500 O\n0.781501 0.717254 0.398500 O\n0.821763 0.566876 0.179594 O\n0.321763 0.433124 0.320406 O\n0.178237 0.433124 0.820406 O\n0.678237 0.566876 0.679594 O\n0.417986 0.851355 0.259198 O\n0.917986 0.148645 0.240802 O\n0.582014 0.148645 0.740802 O\n0.082014 0.851355 0.759198 O\n0.960808 0.708176 0.074225 O\n0.460808 0.291824 0.425775 O\n0.039192 0.291824 0.925775 O\n0.539192 0.708176 0.574225 O\n0.536511 0.333894 0.944400 O\n0.036511 0.666106 0.555600 O\n0.463489 0.666106 0.055600 O\n0.963489 0.333894 0.444400 O\n0.766030 0.853275 0.260088 O\n0.266030 0.146725 0.239912 O\n0.233970 0.146725 0.739912 O\n0.733970 0.853275 0.760088 O\n0.642052 0.817270 0.104243 O\n0.142052 0.182730 0.395757 O\n0.357948 0.182730 0.895757 O\n0.857948 0.817270 0.604243 O\n0.073233 0.429238 0.321454 O\n0.573233 0.570762 0.178546 O\n0.926767 0.570762 0.678546 O\n0.426767 0.429238 0.821454 O\n0.724958 0.207574 0.173107 O\n0.224958 0.792426 0.326893 O\n0.275042 0.792426 0.826893 O\n0.775042 0.207574 0.673107 O\n0.681581 0.422071 0.816769 O\n0.181581 0.577929 0.683231 O\n0.318419 0.577929 0.183231 O\n0.818419 0.422071 0.316769 O\n0.912612 0.282462 0.104045 O\n0.412612 0.717538 0.395955 O\n0.087388 0.717538 0.895955 O\n0.587388 0.282462 0.604045 O\n0.842390 0.184987 0.881948 O\n0.342390 0.815013 0.618052 O\n0.157610 0.815013 0.118052 O\n0.657610 0.184987 0.381948 O\n0.461285 0.226863 0.184492 O\n0.961285 0.773137 0.315508 O\n0.538715 0.773137 0.815508 O\n0.038715 0.226863 0.684492 O\n0.652510 0.993067 0.884986 O\n0.152510 0.006933 0.615014 O\n0.347490 0.006933 0.115014 O\n0.847490 0.993067 0.384986 O\n0.861932 0.999007 0.113135 O\n0.361932 0.000993 0.386865 O\n0.138068 0.000993 0.886865 O\n0.638068 0.999007 0.613135 O\n0.074341 0.567488 0.182608 O\n0.574341 0.432512 0.317392 O\n0.925659 0.432512 0.817392 O\n0.425659 0.567488 0.682608 O\n0.852904 0.442288 0.958742 O\n0.352904 0.557712 0.541258 O\n0.147096 0.557712 0.041258 O\n0.647096 0.442288 0.458742 O\n",
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{
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{
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