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{
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{
"id": "mp-865120",
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{
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{
"id": "mp-29368",
"created_at": "2022-09-04T14:40:14.280089Z",
"structure_string": "Th8 Ta8 O36\n1.0\n5.842315 -7.847282 0.000000\n5.842315 7.847282 0.000000\n0.000000 0.000000 7.473531\nTh Ta O\n8 8 36\ndirect\n0.793326 0.206674 0.750000 Th\n0.206674 0.793326 0.250000 Th\n0.238578 0.761422 0.750000 Th\n0.761422 0.238578 0.250000 Th\n0.134453 0.389883 0.487382 Th\n0.865548 0.610117 0.987382 Th\n0.389883 0.134453 0.512618 Th\n0.610117 0.865548 0.012618 Th\n0.991305 0.991305 0.500000 Ta\n0.008695 0.008695 0.000000 Ta\n0.494603 0.505397 0.750000 Ta\n0.505397 0.494603 0.250000 Ta\n0.600345 0.854582 0.501433 Ta\n0.399655 0.145418 0.001433 Ta\n0.854582 0.600345 0.498567 Ta\n0.145418 0.399655 0.998567 Ta\n0.176188 0.176188 0.500000 O\n0.823812 0.823812 0.000000 O\n0.817797 0.817797 0.500000 O\n0.182203 0.182203 0.000000 O\n0.431072 0.431072 0.500000 O\n0.568928 0.568928 0.000000 O\n0.973060 0.026940 0.750000 O\n0.026940 0.973060 0.250000 O\n0.292409 0.490871 0.801431 O\n0.707591 0.509129 0.301431 O\n0.490871 0.292409 0.198569 O\n0.509129 0.707591 0.698569 O\n0.371133 0.791767 0.020133 O\n0.628867 0.208233 0.520133 O\n0.791767 0.371133 0.979867 O\n0.208233 0.628867 0.479867 O\n0.101153 0.852527 0.968937 O\n0.898847 0.147473 0.468937 O\n0.852527 0.101153 0.031063 O\n0.147473 0.898847 0.531063 O\n0.669677 0.966492 0.717036 O\n0.330323 0.033508 0.217036 O\n0.966492 0.669677 0.282964 O\n0.033508 0.330323 0.782964 O\n0.657497 0.978054 0.296518 O\n0.342503 0.021946 0.796518 O\n0.978054 0.657497 0.703482 O\n0.021946 0.342503 0.203482 O\n0.583135 0.107032 0.999798 O\n0.416865 0.892968 0.499798 O\n0.107032 0.583135 0.000202 O\n0.892968 0.416865 0.500202 O\n0.543546 0.697127 0.320996 O\n0.456454 0.302873 0.820996 O\n0.697127 0.543546 0.679004 O\n0.302873 0.456454 0.179004 O\n",
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"elements": [
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"volume": 685.267388990732,
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"formula_full": "Th8 Ta8 O36",
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"energy": -528.92852161,
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"spacegroup": 20
},
{
"id": "mp-1183058",
"created_at": "2022-09-04T14:40:14.293104Z",
"structure_string": "Ac3 Zr1\n1.0\n5.320169 0.000000 0.000000\n0.000000 5.320169 0.000000\n0.000000 0.000000 5.320169\nAc Zr\n3 1\ndirect\n0.500000 0.000000 0.500000 Ac\n0.000000 0.500000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 Zr\n",
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"elements": [
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"density": 8.51561675128976,
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"volume": 150.5831177726384,
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"formula_full": "Ac3 Zr1",
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"updated_at": "2021-11-28T01:34:56.614000Z",
"spacegroup": 221
},
{
"id": "mp-1174453",
"created_at": "2022-09-04T14:40:14.296528Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.424461 2.611681 0.000000\n-1.424461 2.611681 0.000000\n0.000000 2.547159 34.347722\nLi Mn Co O\n8 2 4 14\ndirect\n0.724237 0.724237 0.924660 Li\n0.135984 0.135984 0.787467 Li\n0.570892 0.570892 0.643201 Li\n0.998117 0.998117 0.501748 Li\n0.430261 0.430261 0.355614 Li\n0.857154 0.857154 0.214339 Li\n0.283905 0.283905 0.073138 Li\n0.427680 0.427680 0.857004 Li\n0.002183 0.002183 0.000510 Mn\n0.714264 0.714264 0.428599 Mn\n0.854855 0.854855 0.713724 Co\n0.284871 0.284871 0.571922 Co\n0.143309 0.143309 0.285161 Co\n0.571080 0.571080 0.143454 Co\n0.369898 0.369898 0.969609 O\n0.787198 0.787198 0.819760 O\n0.227308 0.227308 0.682534 O\n0.642784 0.642784 0.538135 O\n0.093317 0.093317 0.395711 O\n0.499568 0.499568 0.252086 O\n0.928082 0.928082 0.109592 O\n0.069565 0.069565 0.893526 O\n0.489903 0.489903 0.743104 O\n0.930047 0.930047 0.605277 O\n0.335636 0.335636 0.461400 O\n0.785775 0.785775 0.318969 O\n0.215170 0.215170 0.176556 O\n0.626955 0.626955 0.033198 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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"spacegroup": 8
},
{
"id": "mp-1220496",
"created_at": "2022-09-04T14:40:14.297201Z",
"structure_string": "Nb8 N5\n1.0\n3.070302 -4.407249 0.000000\n3.070302 4.407249 0.000000\n0.000000 0.000000 6.238076\nNb N\n8 5\ndirect\n0.245140 0.245140 0.750732 Nb\n0.754860 0.754860 0.249268 Nb\n0.754860 0.754860 0.750732 Nb\n0.245140 0.245140 0.249268 Nb\n0.747084 0.252916 0.500000 Nb\n0.248339 0.751661 0.000000 Nb\n0.751661 0.248339 0.000000 Nb\n0.252916 0.747084 0.500000 Nb\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.748427 N\n0.000000 0.500000 0.251573 N\n0.000000 0.500000 0.748427 N\n0.500000 0.000000 0.251573 N\n",
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],
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{
"id": "mp-1219864",
"created_at": "2022-09-04T14:40:14.300129Z",
"structure_string": "Rb6 Cu6 Bi16 Se30\n1.0\n7.225561 6.394917 0.000000\n-7.225561 6.394917 0.000000\n0.000000 4.337371 18.628126\nRb Cu Bi Se\n6 6 16 30\ndirect\n0.553236 0.112770 0.247448 Rb\n0.887230 0.446764 0.252552 Rb\n0.223226 0.776774 0.250000 Rb\n0.112770 0.553236 0.747448 Rb\n0.446764 0.887230 0.752552 Rb\n0.776774 0.223226 0.750000 Rb\n0.284708 0.377318 0.260121 Cu\n0.622682 0.715292 0.239879 Cu\n0.960439 0.039561 0.250000 Cu\n0.377318 0.284708 0.760121 Cu\n0.715292 0.622682 0.739879 Cu\n0.039561 0.960439 0.750000 Cu\n0.672881 0.178511 0.500233 Bi\n0.327119 0.821489 0.499767 Bi\n0.821489 0.327119 0.999767 Bi\n0.178511 0.672881 0.000233 Bi\n0.805488 0.759585 0.900743 Bi\n0.472302 0.418915 0.902639 Bi\n0.149779 0.087452 0.905414 Bi\n0.194512 0.240415 0.099257 Bi\n0.850221 0.912548 0.094586 Bi\n0.527698 0.581085 0.097361 Bi\n0.912548 0.850221 0.594586 Bi\n0.581085 0.527698 0.597361 Bi\n0.240415 0.194512 0.599257 Bi\n0.087452 0.149779 0.405414 Bi\n0.759585 0.805488 0.400743 Bi\n0.418915 0.472302 0.402639 Bi\n0.142719 0.448764 0.362807 Se\n0.483396 0.781236 0.361233 Se\n0.812334 0.108608 0.360115 Se\n0.516604 0.218764 0.638767 Se\n0.857281 0.551236 0.637193 Se\n0.187666 0.891392 0.639885 Se\n0.218764 0.516604 0.138767 Se\n0.551236 0.857281 0.137193 Se\n0.891392 0.187666 0.139885 Se\n0.448764 0.142719 0.862807 Se\n0.781236 0.483396 0.861233 Se\n0.108608 0.812334 0.860115 Se\n0.538892 0.461108 0.250000 Se\n0.869466 0.793479 0.253749 Se\n0.206521 0.130534 0.246251 Se\n0.130534 0.206521 0.746251 Se\n0.461108 0.538892 0.750000 Se\n0.793479 0.869466 0.753749 Se\n0.385136 0.148545 0.452060 Se\n0.704917 0.478548 0.452813 Se\n0.052279 0.825944 0.453909 Se\n0.295083 0.521452 0.547187 Se\n0.614864 0.851455 0.547940 Se\n0.947721 0.174056 0.546091 Se\n0.521452 0.295083 0.047187 Se\n0.851455 0.614864 0.047940 Se\n0.174056 0.947721 0.046091 Se\n0.148545 0.385136 0.952060 Se\n0.478548 0.704917 0.952813 Se\n0.825944 0.052279 0.953909 Se\n",
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"formula_full": "Rb6 Cu6 Bi16 Se30",
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}
]
}