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{
"id": "mp-980067",
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{
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{
"id": "mp-1038195",
"created_at": "2022-09-04T14:47:23.029050Z",
"structure_string": "Mg30 Al1 C1 O32\n1.0\n8.537865 0.000000 0.000000\n0.000000 8.537865 0.000000\n0.000000 0.000000 8.455824\nMg Al C O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254717 0.254717 0.000000 Mg\n0.745283 0.254717 0.000000 Mg\n0.254717 0.745283 0.000000 Mg\n0.745283 0.745283 0.000000 Mg\n0.251296 0.251296 0.500000 Mg\n0.748704 0.251296 0.500000 Mg\n0.251296 0.748704 0.500000 Mg\n0.748704 0.748704 0.500000 Mg\n0.251455 0.000000 0.249624 Mg\n0.748545 0.000000 0.249624 Mg\n0.252443 0.500000 0.246349 Mg\n0.747557 0.500000 0.246349 Mg\n0.251455 0.000000 0.750376 Mg\n0.748545 0.000000 0.750376 Mg\n0.252443 0.500000 0.753651 Mg\n0.747557 0.500000 0.753651 Mg\n0.000000 0.251455 0.249624 Mg\n0.500000 0.252443 0.246349 Mg\n0.000000 0.748545 0.249624 Mg\n0.500000 0.747557 0.246349 Mg\n0.000000 0.251455 0.750376 Mg\n0.500000 0.252443 0.753651 Mg\n0.000000 0.748545 0.750376 Mg\n0.500000 0.747557 0.753651 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.236939 O\n0.500000 0.000000 0.251220 O\n0.000000 0.500000 0.251220 O\n0.500000 0.500000 0.254778 O\n0.000000 0.000000 0.763061 O\n0.500000 0.000000 0.748780 O\n0.000000 0.500000 0.748780 O\n0.500000 0.500000 0.745222 O\n0.250025 0.250025 0.249281 O\n0.749975 0.250025 0.249281 O\n0.250025 0.749975 0.249281 O\n0.749975 0.749975 0.249281 O\n0.250025 0.250025 0.750719 O\n0.749975 0.250025 0.750719 O\n0.250025 0.749975 0.750719 O\n0.749975 0.749975 0.750719 O\n0.231607 0.000000 0.000000 O\n0.768393 0.000000 0.000000 O\n0.229047 0.500000 0.000000 O\n0.770953 0.500000 0.000000 O\n0.246689 0.000000 0.500000 O\n0.753311 0.000000 0.500000 O\n0.249286 0.500000 0.500000 O\n0.750714 0.500000 0.500000 O\n0.000000 0.231607 0.000000 O\n0.500000 0.229047 0.000000 O\n0.000000 0.768393 0.000000 O\n0.500000 0.770953 0.000000 O\n0.000000 0.246689 0.500000 O\n0.500000 0.249286 0.500000 O\n0.000000 0.753311 0.500000 O\n0.500000 0.750714 0.500000 O\n",
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"formula_full": "Mg30 Al1 C1 O32",
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"energy": -403.64975635,
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"spacegroup": 123
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{
"id": "mp-1248719",
"created_at": "2022-09-04T14:47:22.819696Z",
"structure_string": "Mg16 Si8 H1 O32\n1.0\n6.062120 -0.000129 -0.000311\n-0.000230 9.614778 0.001788\n-0.000520 0.001303 10.332736\nMg Si H O\n16 8 1 32\ndirect\n0.000016 0.003854 0.002614 Mg\n0.999785 0.253870 0.504378 Mg\n0.499927 0.003812 0.002568 Mg\n0.500480 0.253828 0.504494 Mg\n0.249860 0.499945 0.280308 Mg\n0.750138 0.246683 0.225854 Mg\n0.750151 0.006633 0.726044 Mg\n0.249953 0.257585 0.780087 Mg\n0.999749 0.502824 0.002448 Mg\n0.000274 0.753525 0.503714 Mg\n0.500132 0.502848 0.002378 Mg\n0.499809 0.753526 0.503712 Mg\n0.250079 0.999626 0.281134 Mg\n0.749953 0.750341 0.226599 Mg\n0.750124 0.508208 0.723947 Mg\n0.249970 0.757360 0.780429 Mg\n0.250119 0.216592 0.096947 Si\n0.749950 0.466690 0.406848 Si\n0.749970 0.289281 0.906405 Si\n0.250132 0.040588 0.596953 Si\n0.249803 0.718073 0.095087 Si\n0.750073 0.966563 0.410420 Si\n0.749929 0.790065 0.910403 Si\n0.250082 0.540578 0.596966 Si\n0.748104 0.512211 0.207501 H\n0.250075 0.386752 0.095022 O\n0.750124 0.136365 0.412241 O\n0.750020 0.119442 0.909016 O\n0.250078 0.370793 0.595637 O\n0.250104 0.114884 0.450490 O\n0.750034 0.360454 0.053951 O\n0.750120 0.393163 0.554975 O\n0.250005 0.143248 0.949983 O\n0.033710 0.141927 0.166010 O\n0.969878 0.389719 0.341998 O\n0.533229 0.364761 0.838668 O\n0.466760 0.114692 0.666409 O\n0.966678 0.364787 0.838650 O\n0.033571 0.114697 0.666435 O\n0.466591 0.141908 0.165925 O\n0.529850 0.389697 0.342162 O\n0.249900 0.887887 0.093262 O\n0.749997 0.636887 0.414160 O\n0.749927 0.620003 0.912398 O\n0.250062 0.870689 0.595066 O\n0.249984 0.614539 0.450099 O\n0.749945 0.865238 0.056685 O\n0.750069 0.892332 0.557024 O\n0.249922 0.641679 0.949463 O\n0.035076 0.644667 0.165867 O\n0.966591 0.892280 0.341076 O\n0.533197 0.863957 0.840897 O\n0.466429 0.615238 0.666223 O\n0.966648 0.863963 0.840886 O\n0.033806 0.615240 0.666266 O\n0.464520 0.644780 0.165985 O\n0.533468 0.892324 0.341095 O\n",
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{
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"created_at": "2022-09-04T14:47:22.821101Z",
"structure_string": "Hf8 Zn16\n1.0\n-2.611485 -4.520881 0.000000\n-2.611485 4.520881 0.000000\n0.000000 0.000000 -16.833602\nHf Zn\n8 16\ndirect\n0.000006 0.999994 0.591542 Hf\n0.999994 0.000006 0.408458 Hf\n0.999994 0.000006 0.091542 Hf\n0.000006 0.999994 0.908458 Hf\n0.666720 0.333280 0.342357 Hf\n0.333280 0.666720 0.657643 Hf\n0.333280 0.666720 0.842357 Hf\n0.666720 0.333280 0.157643 Hf\n0.666757 0.333243 0.626829 Zn\n0.333243 0.666757 0.373171 Zn\n0.333243 0.666757 0.126829 Zn\n0.666757 0.333243 0.873171 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.838973 0.678027 0.750000 Zn\n0.839028 0.160972 0.750000 Zn\n0.321973 0.161027 0.750000 Zn\n0.161027 0.321973 0.250000 Zn\n0.160972 0.839028 0.250000 Zn\n0.678027 0.838973 0.250000 Zn\n",
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{
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{
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