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{
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{
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{
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{
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"structure_string": "K1 Mg6 V1\n1.0\n7.675136 0.000000 0.000000\n0.000000 7.675136 0.000000\n0.000000 0.000000 3.456238\nK Mg V\n1 6 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.788748 0.211252 0.000000 Mg\n0.211252 0.788748 0.000000 Mg\n0.788748 0.788748 0.000000 Mg\n0.211252 0.211252 0.000000 Mg\n0.000000 0.000000 0.500000 V\n",
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{
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"structure_string": "Li4 U1 O5\n1.0\n-3.393253 3.393253 2.230815\n3.393253 -3.393253 2.230815\n3.393253 3.393253 -2.230815\nLi U O\n4 1 5\ndirect\n0.416282 0.813543 0.229825 Li\n0.583718 0.186457 0.770175 Li\n0.186457 0.416282 0.602739 Li\n0.813543 0.583718 0.397261 Li\n0.000000 0.000000 0.000000 U\n0.713449 0.913078 0.626526 O\n0.086922 0.713449 0.800371 O\n0.500000 0.500000 0.000000 O\n0.286551 0.086922 0.373474 O\n0.913078 0.286551 0.199629 O\n",
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{
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"structure_string": "Sr12 Nb8 N16\n1.0\n6.158324 0.000000 0.000000\n0.000000 10.804192 0.000000\n0.000000 0.000000 9.974701\nSr Nb N\n12 8 16\ndirect\n0.614304 0.157823 0.420952 Sr\n0.885696 0.842177 0.420952 Sr\n0.614304 0.342177 0.079048 Sr\n0.885696 0.657823 0.079048 Sr\n0.385696 0.842177 0.579048 Sr\n0.114304 0.157823 0.579048 Sr\n0.385696 0.657823 0.920952 Sr\n0.114304 0.342177 0.920952 Sr\n0.750000 0.500000 0.400396 Sr\n0.750000 0.000000 0.099604 Sr\n0.250000 0.500000 0.599604 Sr\n0.250000 0.000000 0.900396 Sr\n0.750000 0.500000 0.735330 Nb\n0.750000 0.000000 0.764670 Nb\n0.250000 0.500000 0.264670 Nb\n0.250000 0.000000 0.235330 Nb\n0.616612 0.250000 0.750000 Nb\n0.883388 0.750000 0.750000 Nb\n0.383388 0.750000 0.250000 Nb\n0.116612 0.250000 0.250000 Nb\n0.819583 0.347296 0.622420 N\n0.680417 0.652704 0.622420 N\n0.819583 0.152704 0.877580 N\n0.680417 0.847296 0.877580 N\n0.180417 0.652704 0.377580 N\n0.319583 0.347296 0.377580 N\n0.180417 0.847296 0.122420 N\n0.319583 0.152704 0.122420 N\n0.500265 0.421029 0.837008 N\n0.999735 0.578971 0.837008 N\n0.500265 0.078971 0.662992 N\n0.999735 0.921029 0.662992 N\n0.499735 0.578971 0.162992 N\n0.000265 0.421029 0.162992 N\n0.499735 0.921029 0.337008 N\n0.000265 0.078971 0.337008 N\n",
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{
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"structure_string": "Ca8 C16 O32\n1.0\n6.466491 0.000000 0.000000\n0.000000 10.311815 0.000000\n0.000000 0.000000 13.496188\nCa C O\n8 16 32\ndirect\n0.476707 0.133706 0.388842 Ca\n0.023293 0.633706 0.611158 Ca\n0.976707 0.866294 0.111158 Ca\n0.523293 0.366294 0.888842 Ca\n0.523293 0.866294 0.611158 Ca\n0.976707 0.366294 0.388842 Ca\n0.023293 0.133706 0.888842 Ca\n0.476707 0.633706 0.111158 Ca\n0.162053 0.113432 0.546263 C\n0.337947 0.613432 0.453737 C\n0.662053 0.886568 0.953737 C\n0.837947 0.386568 0.046263 C\n0.837947 0.886568 0.453737 C\n0.662053 0.386568 0.546263 C\n0.337947 0.113432 0.046263 C\n0.162053 0.613432 0.953737 C\n0.855633 0.129555 0.231635 C\n0.644367 0.629555 0.768365 C\n0.355633 0.870445 0.268365 C\n0.144367 0.370445 0.731635 C\n0.144367 0.870445 0.768365 C\n0.355633 0.370445 0.231635 C\n0.644367 0.129555 0.731635 C\n0.855633 0.629555 0.268365 C\n0.312258 0.036807 0.548612 O\n0.187742 0.536807 0.451388 O\n0.812258 0.963193 0.951388 O\n0.687742 0.463193 0.048612 O\n0.687742 0.963193 0.451388 O\n0.812258 0.463193 0.548612 O\n0.187742 0.036807 0.048612 O\n0.312258 0.536807 0.951388 O\n0.124277 0.199780 0.483525 O\n0.375723 0.699780 0.516475 O\n0.624277 0.800220 0.016475 O\n0.875723 0.300220 0.983525 O\n0.875723 0.800220 0.516475 O\n0.624277 0.300220 0.483525 O\n0.375723 0.199780 0.983525 O\n0.124277 0.699780 0.016475 O\n0.783603 0.200523 0.299741 O\n0.716397 0.700523 0.700259 O\n0.283603 0.799477 0.200259 O\n0.216397 0.299477 0.799741 O\n0.216397 0.799477 0.700259 O\n0.283603 0.299477 0.299741 O\n0.716397 0.200523 0.799741 O\n0.783603 0.700523 0.200259 O\n0.797218 0.022556 0.200009 O\n0.702782 0.522556 0.799991 O\n0.297218 0.977444 0.299991 O\n0.202782 0.477444 0.700009 O\n0.202782 0.977444 0.799991 O\n0.297218 0.477444 0.200009 O\n0.702782 0.022556 0.700009 O\n0.797218 0.522556 0.299991 O\n",
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{
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{
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"structure_string": "Ce1 Mg30 B1 O32\n1.0\n8.629982 0.000000 0.000000\n0.000000 8.629982 0.000000\n0.000000 0.000000 8.639264\nCe Mg B O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.255746 0.260923 Mg\n0.000000 0.255746 0.739077 Mg\n0.000000 0.744254 0.260923 Mg\n0.000000 0.744254 0.739077 Mg\n0.500000 0.250256 0.251928 Mg\n0.500000 0.250256 0.748072 Mg\n0.500000 0.749744 0.251928 Mg\n0.500000 0.749744 0.748072 Mg\n0.255746 0.000000 0.260923 Mg\n0.255746 0.000000 0.739077 Mg\n0.250256 0.500000 0.251928 Mg\n0.250256 0.500000 0.748072 Mg\n0.744254 0.000000 0.260923 Mg\n0.744254 0.000000 0.739077 Mg\n0.749744 0.500000 0.251928 Mg\n0.749744 0.500000 0.748072 Mg\n0.257336 0.257336 0.000000 Mg\n0.248269 0.248269 0.500000 Mg\n0.257336 0.742664 0.000000 Mg\n0.248269 0.751731 0.500000 Mg\n0.742664 0.257336 0.000000 Mg\n0.751731 0.248269 0.500000 Mg\n0.742664 0.742664 0.000000 Mg\n0.751731 0.751731 0.500000 Mg\n0.000000 0.000000 0.500000 B\n0.266292 0.000000 0.000000 O\n0.267270 0.000000 0.500000 O\n0.252673 0.500000 0.000000 O\n0.252300 0.500000 0.500000 O\n0.733708 0.000000 0.000000 O\n0.732730 0.000000 0.500000 O\n0.747327 0.500000 0.000000 O\n0.747700 0.500000 0.500000 O\n0.248868 0.248868 0.249158 O\n0.248868 0.248868 0.750842 O\n0.248868 0.751132 0.249158 O\n0.248868 0.751132 0.750842 O\n0.751132 0.248868 0.249158 O\n0.751132 0.248868 0.750842 O\n0.751132 0.751132 0.249158 O\n0.751132 0.751132 0.750842 O\n0.000000 0.000000 0.256693 O\n0.000000 0.000000 0.743307 O\n0.000000 0.500000 0.249487 O\n0.000000 0.500000 0.750513 O\n0.500000 0.000000 0.249487 O\n0.500000 0.000000 0.750513 O\n0.500000 0.500000 0.249116 O\n0.500000 0.500000 0.750884 O\n0.000000 0.266292 0.000000 O\n0.000000 0.267270 0.500000 O\n0.000000 0.733708 0.000000 O\n0.000000 0.732730 0.500000 O\n0.500000 0.252673 0.000000 O\n0.500000 0.252300 0.500000 O\n0.500000 0.747327 0.000000 O\n0.500000 0.747700 0.500000 O\n",
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"elements": [
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],
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"formula_full": "Ce1 Mg30 B1 O32",
"formula_reduced": "CeMg30BO32",
"formula_anonymous": "ABC30D32",
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"updated_at": "2021-11-28T01:35:00.993000Z",
"spacegroup": 123
},
{
"id": "mp-1211863",
"created_at": "2022-09-04T14:40:55.319846Z",
"structure_string": "K8 Nd4 Br20\n1.0\n8.599150 0.000000 0.000000\n0.000000 9.295791 0.000000\n0.000000 0.000000 13.641043\nK Nd Br\n8 4 20\ndirect\n0.950070 0.005507 0.829003 K\n0.049930 0.994493 0.170997 K\n0.450070 0.994493 0.670997 K\n0.049930 0.505507 0.170997 K\n0.549930 0.005507 0.329003 K\n0.950070 0.494493 0.829003 K\n0.549930 0.494493 0.329003 K\n0.450070 0.505507 0.670997 K\n0.922577 0.750000 0.505692 Nd\n0.077423 0.250000 0.494308 Nd\n0.422577 0.250000 0.994308 Nd\n0.577423 0.750000 0.005692 Nd\n0.126634 0.750000 0.680329 Br\n0.873366 0.250000 0.319671 Br\n0.626634 0.250000 0.819671 Br\n0.373366 0.750000 0.180329 Br\n0.835393 0.043350 0.577358 Br\n0.164607 0.956650 0.422642 Br\n0.335393 0.956650 0.922642 Br\n0.164607 0.543350 0.422642 Br\n0.664607 0.043350 0.077358 Br\n0.835393 0.456650 0.577358 Br\n0.664607 0.456650 0.077358 Br\n0.335393 0.543350 0.922642 Br\n0.575269 0.750000 0.507198 Br\n0.424731 0.250000 0.492802 Br\n0.075269 0.250000 0.992802 Br\n0.924731 0.750000 0.007198 Br\n0.664603 0.750000 0.795108 Br\n0.335397 0.250000 0.204892 Br\n0.164603 0.250000 0.704892 Br\n0.835397 0.750000 0.295108 Br\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Br-K-Nd",
"density": 3.7886205684130623,
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"volume": 1090.4090652080743,
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"formula_full": "K8 Nd4 Br20",
"formula_reduced": "K2NdBr5",
"formula_anonymous": "AB2C5",
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"updated_at": "2021-11-28T01:34:58.731000Z",
"spacegroup": 62
},
{
"id": "mp-1200739",
"created_at": "2022-09-04T14:40:54.512174Z",
"structure_string": "H16 Au2 C4 S4 N8 Cl2\n1.0\n8.000686 4.565124 0.000000\n-8.000686 4.565124 0.000000\n0.000000 2.577751 7.174980\nH Au C S N Cl\n16 2 4 4 8 2\ndirect\n0.676828 0.522310 0.953067 H\n0.477690 0.323172 0.546933 H\n0.323172 0.477690 0.046933 H\n0.522310 0.676828 0.453067 H\n0.707957 0.685313 0.764260 H\n0.314687 0.292043 0.735740 H\n0.292043 0.314687 0.235740 H\n0.685313 0.707957 0.264260 H\n0.839559 0.401220 0.925733 H\n0.598780 0.160441 0.574267 H\n0.160441 0.598780 0.074267 H\n0.401220 0.839559 0.425733 H\n0.041398 0.516763 0.748348 H\n0.483237 0.958602 0.751652 H\n0.958602 0.483237 0.251652 H\n0.516763 0.041398 0.248348 H\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.888721 0.615358 0.728885 C\n0.384642 0.111279 0.771115 C\n0.111279 0.384642 0.271115 C\n0.615358 0.888721 0.228885 C\n0.035276 0.768501 0.516741 S\n0.231499 0.964724 0.983259 S\n0.964724 0.231499 0.483259 S\n0.768501 0.035276 0.016741 S\n0.745235 0.605685 0.819228 N\n0.394315 0.254765 0.680772 N\n0.254765 0.394315 0.180772 N\n0.605685 0.745235 0.319228 N\n0.921534 0.496780 0.801698 N\n0.503220 0.078466 0.698302 N\n0.078466 0.503220 0.198302 N\n0.496780 0.921534 0.301698 N\n0.371964 0.628036 0.750000 Cl\n0.628036 0.371964 0.250000 Cl\n",
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"formula_full": "H16 Au2 C4 S4 N8 Cl2",
"formula_reduced": "H8AuC2S2N4Cl",
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"updated_at": "2021-11-28T01:35:23.910000Z",
"spacegroup": 15
}
]
}