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{
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"structure_string": "Li4 Ga4 H16\n1.0\n3.630787 0.000000 3.265352\n3.629795 0.000000 -6.691418\n0.000000 7.836640 0.000000\nLi Ga H\n4 4 16\ndirect\n0.743339 0.322504 0.460033 Li\n0.756661 0.177496 0.960033 Li\n0.256661 0.677496 0.539967 Li\n0.243339 0.822504 0.039967 Li\n0.726265 0.567116 0.794308 Ga\n0.773735 0.932884 0.294308 Ga\n0.273735 0.432884 0.205692 Ga\n0.226265 0.067116 0.705692 Ga\n0.074746 0.270734 0.105063 H\n0.425254 0.229266 0.605063 H\n0.925254 0.729266 0.894937 H\n0.574746 0.770734 0.394937 H\n0.112026 0.476254 0.376139 H\n0.387974 0.023746 0.876139 H\n0.887974 0.523746 0.623861 H\n0.612026 0.976254 0.123861 H\n0.652039 0.389931 0.908271 H\n0.847961 0.110069 0.408271 H\n0.347961 0.610069 0.091729 H\n0.152039 0.889931 0.591729 H\n0.446176 0.623269 0.734967 H\n0.053824 0.876731 0.234967 H\n0.553824 0.376731 0.265033 H\n0.946176 0.123269 0.765033 H\n",
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{
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{
"id": "mp-1234343",
"created_at": "2022-09-04T14:40:12.268181Z",
"structure_string": "Mg1 Cr4 Hg4 H4 O18\n1.0\n5.081347 2.851508 -3.225543\n-4.969028 2.528831 3.129995\n0.608585 -0.270836 16.299807\nMg Cr Hg H O\n1 4 4 4 18\ndirect\n0.681261 0.757186 0.453240 Mg\n0.762425 0.357261 0.617195 Cr\n0.356978 0.756202 0.906544 Cr\n0.138350 0.543518 0.391779 Cr\n0.651024 0.258774 0.089430 Cr\n0.005555 0.006089 0.651424 Hg\n0.958348 0.955026 0.882920 Hg\n0.242854 0.136790 0.378169 Hg\n0.047649 0.053867 0.113153 Hg\n0.579730 0.431994 0.798178 H\n0.414621 0.560406 0.726918 H\n0.409308 0.574235 0.213732 H\n0.649283 0.536563 0.264205 H\n0.036669 0.316283 0.675014 O\n0.232644 0.970073 0.845352 O\n0.986953 0.732910 0.329315 O\n0.785233 0.058068 0.147301 O\n0.523671 0.175650 0.672894 O\n0.210948 0.525722 0.845980 O\n0.362401 0.643466 0.334699 O\n0.794554 0.487289 0.150354 O\n0.918564 0.734993 0.588426 O\n0.710512 0.969266 0.923558 O\n0.922598 0.171691 0.408912 O\n0.296818 0.035321 0.076377 O\n0.625236 0.364505 0.493493 O\n0.285006 0.587746 0.009217 O\n0.358432 0.637802 0.495320 O\n0.711948 0.429335 0.984666 O\n0.605827 0.614441 0.758765 O\n0.444603 0.427528 0.238052 O\n",
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{
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"created_at": "2022-09-04T14:40:12.307153Z",
"structure_string": "Na6 B2 Sb2 As2 O14\n1.0\n7.108555 0.000000 0.000000\n0.000000 5.501842 0.000000\n0.000000 0.529984 9.539204\nNa B Sb As O\n6 2 2 2 14\ndirect\n0.250000 0.765544 0.932721 Na\n0.007565 0.248319 0.758915 Na\n0.492435 0.248319 0.758915 Na\n0.507565 0.751681 0.241085 Na\n0.992435 0.751681 0.241085 Na\n0.750000 0.234456 0.067279 Na\n0.750000 0.731921 0.937254 B\n0.250000 0.268079 0.062746 B\n0.750000 0.775037 0.664662 Sb\n0.250000 0.224963 0.335338 Sb\n0.250000 0.716611 0.598256 As\n0.750000 0.283389 0.401744 As\n0.250000 0.271733 0.923525 O\n0.750000 0.954649 0.850304 O\n0.750000 0.525751 0.855027 O\n0.063165 0.823023 0.696305 O\n0.436835 0.823023 0.696305 O\n0.250000 0.408722 0.604892 O\n0.750000 0.175448 0.576359 O\n0.250000 0.824552 0.423641 O\n0.750000 0.591278 0.395108 O\n0.563165 0.176977 0.303695 O\n0.936835 0.176977 0.303695 O\n0.250000 0.474249 0.144973 O\n0.250000 0.045351 0.149696 O\n0.750000 0.728267 0.076475 O\n",
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{
"id": "mp-1033389",
"created_at": "2022-09-04T14:40:10.373375Z",
"structure_string": "Hf1 Mg6 Nb1 O8\n1.0\n8.884676 -0.000000 0.000000\n0.000000 4.354900 0.000000\n0.000000 0.000000 4.354900\nHf Mg Nb O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.260563 0.000000 0.500000 Mg\n0.739437 -0.000000 0.500000 Mg\n0.260563 0.500000 0.000000 Mg\n0.739437 0.500000 -0.000000 Mg\n0.000000 0.000000 0.000000 Nb\n0.266209 0.000000 0.000000 O\n0.733791 -0.000000 -0.000000 O\n0.254818 0.500000 0.500000 O\n0.745182 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "V32 N3\n1.0\n0.000000 0.000000 2.988265\n8.659750 -0.050159 0.000000\n-0.100075 17.373721 0.000000\nV N\n32 3\ndirect\n0.500000 0.888317 0.056547 V\n0.500000 0.885226 0.557591 V\n0.500000 0.114774 0.442409 V\n0.500000 0.111683 0.943453 V\n0.000000 0.615521 0.308813 V\n0.000000 0.613272 0.805516 V\n0.000000 0.386728 0.194484 V\n0.000000 0.384479 0.691187 V\n0.500000 0.384769 0.063180 V\n0.500000 0.376093 0.561298 V\n0.500000 0.623907 0.438702 V\n0.500000 0.615231 0.936820 V\n0.000000 0.111209 0.316602 V\n0.000000 0.113496 0.811645 V\n0.000000 0.886504 0.188355 V\n0.000000 0.888791 0.683398 V\n0.500000 0.124144 0.193954 V\n0.500000 0.124589 0.686019 V\n0.500000 0.875411 0.313981 V\n0.500000 0.875856 0.806046 V\n0.000000 0.626780 0.057647 V\n0.000000 0.630929 0.554818 V\n0.000000 0.369071 0.445182 V\n0.000000 0.373220 0.942353 V\n0.500000 0.345359 0.329599 V\n0.500000 0.340423 0.827226 V\n0.500000 0.659577 0.172774 V\n0.500000 0.654641 0.670401 V\n0.000000 0.158671 0.079472 V\n0.000000 0.129944 0.564800 V\n0.000000 0.870056 0.435200 V\n0.000000 0.841329 0.920528 V\n0.500000 0.501501 0.250882 N\n0.500000 0.498499 0.749118 N\n0.000000 0.000000 0.000000 N\n",
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{
"id": "mp-1175801",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.861216 0.000000 0.000000\n0.278351 5.897239 0.000000\n2.859243 0.079157 8.146322\nLi Mn Co O\n9 2 5 16\ndirect\n0.869050 0.259082 0.266481 Li\n0.000000 0.000000 0.500000 Li\n0.359927 0.258609 0.266970 Li\n0.500000 0.000000 0.500000 Li\n0.640073 0.741391 0.733030 Li\n0.130950 0.740918 0.733519 Li\n0.254493 0.501864 0.993840 Li\n0.745507 0.498136 0.006160 Li\n0.000000 0.500000 0.500000 Li\n0.750144 0.998414 0.997397 Mn\n0.249856 0.001586 0.002603 Mn\n0.873005 0.744494 0.255209 Co\n0.126995 0.255506 0.744791 Co\n0.361757 0.741794 0.258778 Co\n0.500000 0.500000 0.500000 Co\n0.638243 0.258206 0.741222 Co\n0.643860 0.980982 0.232347 O\n0.736218 0.726964 0.482685 O\n0.145829 0.996831 0.239957 O\n0.267915 0.743326 0.486563 O\n0.404496 0.494809 0.739265 O\n0.884435 0.478912 0.759660 O\n0.993100 0.220099 0.994316 O\n0.496487 0.222071 0.992297 O\n0.115565 0.521088 0.240340 O\n0.263782 0.273036 0.517315 O\n0.595504 0.505191 0.260735 O\n0.732085 0.256674 0.513437 O\n0.854171 0.003169 0.760043 O\n0.356140 0.019018 0.767653 O\n0.503513 0.777929 0.007703 O\n0.006900 0.779901 0.005684 O\n",
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{
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{
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{
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{
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"elements": [
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{
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"created_at": "2022-09-04T14:41:11.799811Z",
"structure_string": "Mg1 Ta1 Zn1\n1.0\n0.000000 3.076152 3.076152\n3.076152 0.000000 3.076152\n3.076152 3.076152 0.000000\nMg Ta Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ta\n0.750000 0.750000 0.750000 Zn\n",
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],
"chemical_system": "Mg-Ta-Zn",
"density": 7.720098159176675,
"density_atomic": 0.05153091873703674,
"volume": 58.21747551812645,
"volume_molar": 11.68646107540038,
"formula_full": "Mg1 Ta1 Zn1",
"formula_reduced": "MgTaZn",
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"updated_at": "2021-11-28T01:35:13.277000Z",
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}
]
}