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{
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{
"id": "mp-1200839",
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"formula_full": "Si2 P4 H36 C12 Cl8",
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"spacegroup": 14
},
{
"id": "mp-1028112",
"created_at": "2022-09-04T14:40:16.997023Z",
"structure_string": "Ba1 Ca1 Mg14\n1.0\n6.730035 0.032672 0.000000\n-3.336722 5.779372 0.000000\n0.000000 0.000000 10.748773\nBa Ca Mg\n1 1 14\ndirect\n0.165215 0.832607 0.125000 Ba\n0.175157 0.337578 0.125000 Ca\n0.163604 0.331801 0.625000 Mg\n0.164866 0.832432 0.625000 Mg\n0.663009 0.333476 0.125000 Mg\n0.668271 0.333091 0.625000 Mg\n0.663009 0.829532 0.125000 Mg\n0.668271 0.835180 0.625000 Mg\n0.342839 0.176581 0.393093 Mg\n0.342839 0.176581 0.856907 Mg\n0.342839 0.666259 0.393093 Mg\n0.342839 0.666259 0.856907 Mg\n0.828494 0.164248 0.377399 Mg\n0.828494 0.164248 0.872601 Mg\n0.820127 0.660064 0.386823 Mg\n0.820127 0.660064 0.863177 Mg\n",
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{
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"structure_string": "Li8 V4 O8 F4\n1.0\n-0.017024 4.173337 4.181584\n6.333427 2.089907 -0.029221\n-0.001595 6.300110 -2.130981\nLi V O F\n8 4 8 4\ndirect\n0.744586 0.001029 0.510337 Li\n0.243872 0.000761 0.510547 Li\n0.838712 0.332275 0.656321 Li\n0.339460 0.332576 0.656114 Li\n0.654277 0.667275 0.357822 Li\n0.154253 0.667687 0.357928 Li\n0.429061 0.665582 0.808808 Li\n0.928990 0.666072 0.808894 Li\n0.506219 0.004599 0.990631 V\n0.077105 0.328690 0.176141 V\n0.006049 0.004955 0.990676 V\n0.577269 0.328473 0.175918 V\n0.137880 0.000914 0.231629 O\n0.637616 0.000996 0.231243 O\n0.445511 0.332508 0.935148 O\n0.945825 0.332239 0.935362 O\n0.368288 0.991898 0.769653 O\n0.868298 0.992918 0.768966 O\n0.714983 0.340566 0.397517 O\n0.215060 0.341347 0.397134 O\n0.041167 0.667078 0.083297 F\n0.542144 0.666356 0.083239 F\n0.791694 0.666603 0.583327 F\n0.291682 0.666598 0.583355 F\n",
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{
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"created_at": "2022-09-04T14:39:12.124055Z",
"structure_string": "Th4 Cu2\n1.0\n-3.636506 3.636506 2.889997\n3.636506 -3.636506 2.889997\n3.636506 3.636506 -2.889997\nTh Cu\n4 2\ndirect\n0.160705 0.660705 0.821411 Th\n0.839295 0.339295 0.178589 Th\n0.339295 0.160705 0.500000 Th\n0.660705 0.839295 0.500000 Th\n0.250000 0.250000 0.000000 Cu\n0.750000 0.750000 0.000000 Cu\n",
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{
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{
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"structure_string": "K3 Ta1 O8\n1.0\n-3.451477 3.451477 4.038131\n3.451477 -3.451477 4.038131\n3.451477 3.451477 -4.038131\nK Ta O\n3 1 8\ndirect\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ta\n0.325048 0.325048 0.279556 O\n0.674952 0.954508 0.000000 O\n0.954508 0.674952 0.000000 O\n0.045492 0.045492 0.720444 O\n0.231288 0.231288 0.424056 O\n0.768712 0.192768 0.000000 O\n0.192768 0.768712 0.000000 O\n0.807232 0.807232 0.575944 O\n",
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{
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{
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{
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"structure_string": "K2 Al6 Si6 O24\n1.0\n4.588044 2.651523 0.000000\n-4.588044 2.651523 0.000000\n0.000000 2.340990 20.458149\nK Al Si O\n2 6 6 24\ndirect\n0.102899 0.907755 0.739220 K\n0.907755 0.102899 0.239220 K\n0.805976 0.625256 0.502872 Al\n0.367161 0.181596 0.003078 Al\n0.181596 0.367161 0.503078 Al\n0.625256 0.805976 0.002872 Al\n0.462013 0.612183 0.635239 Al\n0.612183 0.462013 0.135239 Al\n0.391893 0.536776 0.866378 Si\n0.536776 0.391893 0.366378 Si\n0.804654 0.295849 0.637431 Si\n0.705458 0.191854 0.866650 Si\n0.191854 0.705458 0.366650 Si\n0.295849 0.804654 0.137431 Si\n0.700009 0.510017 0.667898 O\n0.531995 0.348471 0.834397 O\n0.348471 0.531995 0.334397 O\n0.510017 0.700009 0.167898 O\n0.548976 0.959245 0.656092 O\n0.057768 0.408321 0.844640 O\n0.408321 0.057769 0.344640 O\n0.959245 0.548976 0.156092 O\n0.882162 0.380474 0.556014 O\n0.617380 0.121776 0.945235 O\n0.121776 0.617380 0.445235 O\n0.380474 0.882162 0.056014 O\n0.103822 0.357267 0.668843 O\n0.593380 0.880254 0.833332 O\n0.880254 0.593380 0.333332 O\n0.357267 0.103822 0.168843 O\n0.067121 0.983046 0.531831 O\n0.014564 0.943604 0.965763 O\n0.943604 0.014564 0.465763 O\n0.983046 0.067121 0.031831 O\n0.479110 0.577899 0.550619 O\n0.414048 0.527966 0.944468 O\n0.527966 0.414048 0.444468 O\n0.577899 0.479110 0.050619 O\n",
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],
"chemical_system": "Al-K-O-Si",
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"density_atomic": 0.07634213314189765,
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"formula_full": "K2 Al6 Si6 O24",
"formula_reduced": "KAl3(SiO4)3",
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"updated_at": "2021-11-28T01:34:24.567000Z",
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},
{
"id": "mp-1228799",
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],
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"formula_full": "As2 P2",
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"updated_at": "2021-11-28T01:37:37.470000Z",
"spacegroup": 12
},
{
"id": "mp-1205650",
"created_at": "2022-09-04T14:45:41.239843Z",
"structure_string": "Ba2 Ta1 Tl1 O6\n1.0\n0.000000 4.264839 4.264839\n4.264839 0.000000 4.264839\n4.264839 4.264839 0.000000\nBa Ta Tl O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Tl\n0.765417 0.234583 0.234583 O\n0.234583 0.765417 0.765417 O\n0.234583 0.765417 0.234583 O\n0.765417 0.234583 0.765417 O\n0.234583 0.234583 0.765417 O\n0.765417 0.765417 0.234583 O\n",
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"volume": 155.14504815596007,
"volume_molar": 9.3430531821217,
"formula_full": "Ba2 Ta1 Tl1 O6",
"formula_reduced": "Ba2TaTlO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
}
]
}