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{
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{
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"formula_full": "Sr4 Nd4 Eu4 Nb4 O24",
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{
"id": "mp-1520093",
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"structure_string": "Ba1 Na1 La1 Fe1 O6\n1.0\n-0.000000 -4.210802 -4.210802\n4.210802 -0.000000 -4.210802\n4.210802 -4.210802 0.000000\nBa Na La Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Fe\n0.776919 0.223081 0.223081 O\n0.223081 0.776919 0.776919 O\n0.776919 0.223081 0.776919 O\n0.223081 0.776919 0.223081 O\n0.776919 0.776919 0.223081 O\n0.223081 0.223081 0.776919 O\n",
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"formula_full": "Ba1 Na1 La1 Fe1 O6",
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{
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"created_at": "2022-09-04T14:41:48.055472Z",
"structure_string": "Na1 Sr1 Tb1 Mn1 O6\n1.0\n0.000000 -4.112259 -4.112259\n4.112259 0.000000 -4.112259\n4.112259 -4.112259 -0.000000\nNa Sr Tb Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 -0.000000 0.000000 Mn\n0.769319 0.230681 0.230681 O\n0.230681 0.769319 0.769319 O\n0.769319 0.230681 0.769319 O\n0.230681 0.769319 0.230681 O\n0.769319 0.769319 0.230681 O\n0.230681 0.230681 0.769319 O\n",
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"formula_full": "Na1 Sr1 Tb1 Mn1 O6",
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{
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"created_at": "2022-09-04T14:39:27.407612Z",
"structure_string": "Na1 Pr1 Mg1 Nb1 O6\n1.0\n0.000000 -3.996488 -3.996488\n3.996488 -0.000000 -3.996488\n3.996488 -3.996488 0.000000\nNa Pr Mg Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Pr\n-0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Nb\n0.748689 0.251311 0.251311 O\n0.251311 0.748689 0.748689 O\n0.748689 0.251311 0.748689 O\n0.251311 0.748689 0.251311 O\n0.748689 0.748689 0.251311 O\n0.251311 0.251311 0.748689 O\n",
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"formula_full": "Na1 Pr1 Mg1 Nb1 O6",
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{
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"created_at": "2022-09-04T14:41:05.810808Z",
"structure_string": "K2 Tb2 Eu2 Nb2 O12\n1.0\n6.003530 0.000000 0.000000\n0.000000 6.003530 0.000000\n0.000000 0.000000 8.427322\nK Tb Eu Nb O\n2 2 2 2 12\ndirect\n-0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.500000 -0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.750000 Eu\n0.500000 0.500000 0.250000 Eu\n0.500000 -0.000000 0.500000 Nb\n-0.000000 0.500000 -0.000000 Nb\n0.251853 0.722446 -0.000000 O\n0.748147 0.277554 0.000000 O\n0.277554 0.748147 0.500000 O\n0.722446 0.251853 0.500000 O\n0.748147 0.722446 0.000000 O\n0.722446 0.748147 0.500000 O\n0.251853 0.277554 0.000000 O\n0.277554 0.251853 0.500000 O\n0.500000 -0.000000 0.736357 O\n0.000000 0.500000 0.763643 O\n0.500000 0.000000 0.263643 O\n-0.000000 0.500000 0.236357 O\n",
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{
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"structure_string": "Sr2 Pr2 Fe2 Ru2 O12\n1.0\n5.643615 0.000000 0.000000\n0.000000 5.597541 0.000000\n0.000000 5.594157 7.926037\nSr Pr Fe Ru O\n2 2 2 2 12\ndirect\n0.722085 0.753863 0.750094 Sr\n0.277915 0.753863 0.250094 Sr\n0.207175 0.238250 0.749513 Pr\n0.792825 0.238250 0.249513 Pr\n0.253913 0.499511 0.999833 Fe\n0.746087 0.499511 0.499833 Fe\n0.252134 0.999566 0.500483 Ru\n0.747866 0.999566 0.000483 Ru\n0.259918 0.666859 0.749537 O\n0.769758 0.312251 0.750570 O\n0.230242 0.312251 0.250570 O\n0.740082 0.666859 0.249537 O\n0.025185 0.762636 0.463242 O\n0.539249 0.247319 0.041414 O\n0.462316 0.832974 0.958125 O\n0.975756 0.186771 0.537189 O\n0.460751 0.247319 0.541414 O\n0.974815 0.762636 0.963242 O\n0.024244 0.186771 0.037189 O\n0.537684 0.832974 0.458125 O\n",
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{
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"structure_string": "Ba2 Ca2 Tb2 Sn2 O12\n1.0\n5.952667 -0.003365 0.019919\n-0.002003 6.033460 -0.015612\n0.028985 -0.022035 8.468659\nBa Ca Tb Sn O\n2 2 2 2 12\ndirect\n0.994095 0.032030 0.250456 Ba\n0.005905 0.967970 0.749544 Ba\n0.509858 0.539462 0.254056 Ca\n0.490142 0.460538 0.745944 Ca\n0.500000 0.000000 -0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.204633 0.226650 0.963423 O\n0.308611 0.713555 0.557219 O\n0.795367 0.773350 0.036577 O\n0.691389 0.286445 0.442781 O\n0.282244 0.696370 0.939127 O\n0.222800 0.205456 0.529438 O\n0.717756 0.303630 0.060873 O\n0.777200 0.794544 0.470562 O\n0.436147 0.936105 0.260465 O\n0.108261 0.497460 0.238190 O\n0.563853 0.063895 0.739535 O\n0.891739 0.502540 0.761810 O\n",
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{
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"structure_string": "K1 Ce1 Mn1 W1 O6\n1.0\n-0.000000 -4.062881 -4.062881\n4.062881 0.000000 -4.062881\n4.062881 -4.062881 -0.000000\nK Ce Mn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ce\n-0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.738776 0.261224 0.261224 O\n0.261224 0.738776 0.738776 O\n0.738776 0.261224 0.738776 O\n0.261224 0.738776 0.261224 O\n0.738776 0.738776 0.261224 O\n0.261224 0.261224 0.738776 O\n",
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{
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"structure_string": "Sr2 Nd2 Mg2 Ru2 O12\n1.0\n5.674802 0.000000 0.000000\n0.000000 5.588958 0.000000\n0.000000 5.549430 7.909155\nSr Nd Mg Ru O\n2 2 2 2 12\ndirect\n0.218651 0.245038 0.250406 Sr\n0.781349 0.245038 0.750406 Sr\n0.302412 0.762943 0.750945 Nd\n0.697588 0.762943 0.250945 Nd\n0.757021 0.499360 0.001423 Mg\n0.242979 0.499360 0.501423 Mg\n0.752395 0.000119 0.499742 Ru\n0.247605 0.000119 0.999742 Ru\n0.038687 0.149378 0.545568 O\n0.961313 0.149378 0.045568 O\n0.478316 0.823884 0.459429 O\n0.521684 0.823884 0.959429 O\n0.764748 0.335545 0.256664 O\n0.235252 0.335545 0.756664 O\n0.724634 0.691649 0.743526 O\n0.275366 0.691649 0.243526 O\n0.948873 0.757541 0.454753 O\n0.051127 0.757541 0.954753 O\n0.533328 0.234544 0.537546 O\n0.466672 0.234544 0.037546 O\n",
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{
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],
"chemical_system": "Dy-Na-O-Sn-W",
"density": 6.7000827399386,
"density_atomic": 0.0690862030467094,
"volume": 144.7467013527863,
"volume_molar": 8.716850100921615,
"formula_full": "Na1 Dy1 Sn1 W1 O6",
"formula_reduced": "NaDySnWO6",
"formula_anonymous": "ABCDE6",
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"energy_per_atom": -7.701095497,
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"energy_uncorrected": -68.45095497,
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"updated_at": "2021-11-28T01:35:02.184000Z",
"spacegroup": 216
},
{
"id": "mp-1516456",
"created_at": "2022-09-04T14:39:38.772535Z",
"structure_string": "K1 Pr1 Eu1 W1 O6\n1.0\n0.000000 -4.295136 -4.295136\n4.295136 -0.000000 -4.295136\n4.295136 -4.295136 0.000000\nK Pr Eu W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n-0.000000 -0.000000 -0.000000 Pr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 W\n0.727275 0.272725 0.272725 O\n0.272725 0.727275 0.727275 O\n0.727275 0.272725 0.727275 O\n0.272725 0.727275 0.272725 O\n0.727275 0.727275 0.272725 O\n0.272725 0.272725 0.727275 O\n",
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],
"chemical_system": "Eu-K-O-Pr-W",
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"density_atomic": 0.06310143635439666,
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"formula_full": "K1 Pr1 Eu1 W1 O6",
"formula_reduced": "KPrEuWO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:34:42.318000Z",
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}
]
}