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{
"id": "mp-1075937",
"created_at": "2022-09-04T14:44:03.814568Z",
"structure_string": "Rb4 W4 O10\n1.0\n-3.008178 3.013076 8.209839\n3.008178 -3.013076 8.209839\n3.008178 3.013076 -8.209839\nRb W O\n4 4 10\ndirect\n0.906250 0.386626 0.516004 Rb\n0.093750 0.609754 0.480375 Rb\n0.370622 0.886626 0.480375 Rb\n0.629378 0.109754 0.516004 Rb\n0.000000 0.011520 0.011520 W\n0.500000 0.511520 0.011520 W\n0.687361 0.708075 0.895435 W\n0.312639 0.208075 0.020714 W\n0.256569 0.262797 0.508488 O\n0.743431 0.251919 0.006228 O\n0.254309 0.762797 0.006228 O\n0.745691 0.751919 0.508488 O\n0.883667 0.875807 0.028996 O\n0.116333 0.145329 0.992140 O\n0.346811 0.375807 0.992140 O\n0.653189 0.645329 0.028996 O\n0.580006 0.412174 0.492180 O\n0.419994 0.912174 0.832168 O\n",
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{
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{
"id": "mp-532718",
"created_at": "2022-09-04T14:44:03.338330Z",
"structure_string": "Ca6 Nd6 Mn12 O36\n1.0\n16.297216 0.000000 0.000000\n0.000000 5.473793 0.000000\n0.000000 0.000000 7.702508\nCa Nd Mn O\n6 6 12 36\ndirect\n0.167070 0.538087 0.750000 Ca\n0.336425 0.958056 0.250000 Ca\n0.505468 0.543549 0.750000 Ca\n0.661198 0.043549 0.750000 Ca\n0.830242 0.458056 0.250000 Ca\n0.999598 0.038087 0.750000 Ca\n0.998750 0.968374 0.250000 Nd\n0.167916 0.468374 0.250000 Nd\n0.331299 0.032855 0.750000 Nd\n0.494427 0.461480 0.250000 Nd\n0.672240 0.961480 0.250000 Nd\n0.835368 0.532855 0.750000 Nd\n0.999972 0.499476 0.997278 Mn\n0.999972 0.499476 0.502722 Mn\n0.166695 0.999476 0.502722 Mn\n0.166695 0.999476 0.997278 Mn\n0.334030 0.500664 0.502849 Mn\n0.334030 0.500664 0.997151 Mn\n0.500773 0.998937 0.997038 Mn\n0.500773 0.998937 0.502962 Mn\n0.665894 0.498937 0.502962 Mn\n0.665894 0.498937 0.997038 Mn\n0.832636 0.000664 0.997151 Mn\n0.832636 0.000664 0.502849 Mn\n0.023029 0.480784 0.750000 O\n0.074370 0.222707 0.041749 O\n0.074370 0.222707 0.458251 O\n0.092297 0.722707 0.041749 O\n0.092297 0.722707 0.458251 O\n0.143638 0.980784 0.750000 O\n0.191132 0.009993 0.250000 O\n0.238415 0.285502 0.539833 O\n0.238415 0.285502 0.960167 O\n0.259986 0.778769 0.535034 O\n0.259986 0.778769 0.964966 O\n0.315431 0.515005 0.250000 O\n0.359293 0.488321 0.750000 O\n0.404008 0.210241 0.036558 O\n0.404008 0.210241 0.463442 O\n0.428172 0.717913 0.031178 O\n0.428172 0.717913 0.468822 O\n0.479042 0.983798 0.750000 O\n0.522848 0.006729 0.250000 O\n0.569058 0.292276 0.531608 O\n0.569058 0.292276 0.968392 O\n0.597609 0.792276 0.531608 O\n0.597609 0.792276 0.968392 O\n0.643819 0.506729 0.250000 O\n0.687624 0.483798 0.750000 O\n0.738495 0.217913 0.031178 O\n0.738495 0.217913 0.468822 O\n0.762658 0.710241 0.036558 O\n0.762658 0.710241 0.463442 O\n0.807374 0.988321 0.750000 O\n0.851236 0.015005 0.250000 O\n0.906680 0.278769 0.535034 O\n0.906680 0.278769 0.964966 O\n0.928252 0.785502 0.539833 O\n0.928252 0.785502 0.960167 O\n0.975534 0.509993 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:44:03.365234Z",
"structure_string": "Li4 V7 O9 F7\n1.0\n3.010547 5.219304 0.000000\n-3.010547 5.219304 0.000000\n0.000000 3.547499 10.019391\nLi V O F\n4 7 9 7\ndirect\n0.994115 0.994115 0.990364 Li\n0.384536 0.384536 0.881742 Li\n0.876925 0.876925 0.378186 Li\n0.490427 0.490427 0.491401 Li\n0.704029 0.704029 0.927120 V\n0.940784 0.415135 0.692335 V\n0.943384 0.439908 0.193108 V\n0.415135 0.940784 0.692335 V\n0.428589 0.428589 0.198938 V\n0.186663 0.186663 0.435890 V\n0.439908 0.943384 0.193108 V\n0.571618 0.571618 0.285097 O\n0.789498 0.789498 0.064502 O\n0.286038 0.286038 0.568223 O\n0.589702 0.589702 0.811482 O\n0.083436 0.083436 0.802291 O\n0.080741 0.533714 0.311128 O\n0.533714 0.080741 0.311128 O\n0.081088 0.081088 0.307606 O\n0.310218 0.310218 0.083509 O\n0.822871 0.320359 0.559135 F\n0.557974 0.053330 0.813069 F\n0.789281 0.789281 0.577551 F\n0.336973 0.801152 0.060523 F\n0.801152 0.336973 0.060523 F\n0.320359 0.822871 0.559135 F\n0.053330 0.557974 0.813069 F\n",
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"formula_full": "Li4 V7 O9 F7",
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"spacegroup": 8
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{
"id": "mp-1106087",
"created_at": "2022-09-04T14:44:03.387982Z",
"structure_string": "Ce12 Ga8\n1.0\n8.393973 0.000000 0.000000\n0.000000 8.393973 0.000000\n0.000000 0.000000 7.190724\nCe Ga\n12 8\ndirect\n0.500000 0.000000 0.250000 Ce\n0.000000 0.500000 0.750000 Ce\n0.500000 0.000000 0.750000 Ce\n0.000000 0.500000 0.250000 Ce\n0.842977 0.157023 0.500000 Ce\n0.157023 0.842977 0.500000 Ce\n0.342977 0.342977 0.000000 Ce\n0.657023 0.657023 0.000000 Ce\n0.695867 0.695867 0.500000 Ce\n0.304133 0.304133 0.500000 Ce\n0.195867 0.804133 0.000000 Ce\n0.804133 0.195867 0.000000 Ce\n0.620028 0.379972 0.297982 Ga\n0.379972 0.620028 0.297982 Ga\n0.120028 0.120028 0.797982 Ga\n0.879972 0.879972 0.797982 Ga\n0.379972 0.620028 0.702018 Ga\n0.620028 0.379972 0.702018 Ga\n0.879972 0.879972 0.202018 Ga\n0.120028 0.120028 0.202018 Ga\n",
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"volume": 506.6496599494944,
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"formula_full": "Ce12 Ga8",
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{
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"structure_string": "Fe1 Co3 O8\n1.0\n4.970027 -2.842167 0.000000\n4.970027 2.842167 0.000000\n3.344701 0.000000 4.646725\nFe Co O\n1 3 8\ndirect\n0.878157 0.878157 0.878157 Fe\n0.009317 0.495910 0.495910 Co\n0.495910 0.495910 0.009317 Co\n0.495910 0.009317 0.495910 Co\n0.263400 0.263400 0.263400 O\n0.249007 0.702660 0.249007 O\n0.249007 0.249007 0.702660 O\n0.702660 0.249007 0.249007 O\n0.286052 0.752638 0.752638 O\n0.752638 0.752638 0.286052 O\n0.752638 0.286052 0.752638 O\n0.740304 0.740304 0.740304 O\n",
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{
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"structure_string": "Ca8 Si4 O16\n1.0\n2.740626 8.295257 0.000000\n-2.740626 8.295257 0.000000\n0.000000 5.724350 8.262791\nCa Si O\n8 4 16\ndirect\n0.306361 0.873587 0.342825 Ca\n0.873587 0.306361 0.842825 Ca\n0.500000 0.000000 0.500000 Ca\n0.257858 0.742142 0.750000 Ca\n0.126413 0.693639 0.157175 Ca\n0.000000 0.500000 0.000000 Ca\n0.742142 0.257858 0.250000 Ca\n0.693639 0.126413 0.657175 Ca\n0.602477 0.100767 0.074268 Si\n0.899233 0.397523 0.425732 Si\n0.100767 0.602477 0.574268 Si\n0.397523 0.899233 0.925732 Si\n0.881092 0.968950 0.937501 O\n0.031050 0.118908 0.562499 O\n0.079790 0.441842 0.353443 O\n0.558158 0.920210 0.146557 O\n0.907567 0.343405 0.284014 O\n0.656595 0.092433 0.215986 O\n0.368314 0.412309 0.986108 O\n0.587691 0.631686 0.513892 O\n0.412309 0.368314 0.486108 O\n0.631686 0.587691 0.013892 O\n0.343405 0.907567 0.784014 O\n0.092433 0.656595 0.715986 O\n0.441842 0.079790 0.853443 O\n0.920210 0.558158 0.646557 O\n0.968950 0.881092 0.437501 O\n0.118908 0.031050 0.062499 O\n",
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"formula_full": "Ca8 Si4 O16",
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{
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"structure_string": "Sr8 V4 N12\n1.0\n5.537001 2.877809 0.000000\n-5.537001 2.877809 0.000000\n0.000000 0.169654 12.360472\nSr V N\n8 4 12\ndirect\n0.555029 0.949937 0.854245 Sr\n0.949937 0.555029 0.354245 Sr\n0.444971 0.050063 0.145755 Sr\n0.050063 0.444971 0.645755 Sr\n0.645475 0.866602 0.422567 Sr\n0.133398 0.354525 0.077433 Sr\n0.354525 0.133398 0.577433 Sr\n0.866602 0.645475 0.922567 Sr\n0.741154 0.746584 0.663950 V\n0.258846 0.253416 0.336050 V\n0.253416 0.258846 0.836050 V\n0.746584 0.741154 0.163950 V\n0.673526 0.852555 0.046146 N\n0.147445 0.326474 0.453854 N\n0.326474 0.147445 0.953854 N\n0.852555 0.673526 0.546146 N\n0.979771 0.020229 0.250000 N\n0.020229 0.979771 0.750000 N\n0.447040 0.552960 0.250000 N\n0.120780 0.442346 0.867338 N\n0.442346 0.120780 0.367338 N\n0.879220 0.557654 0.132662 N\n0.557654 0.879220 0.632662 N\n0.552960 0.447040 0.750000 N\n",
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"elements": [
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{
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"structure_string": "Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.613903 -0.014310 0.030808\n4.287260 -7.580382 -0.007971\n4.253208 -2.565726 -7.104555\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.877673 0.376035 0.377023 Mg\n0.592284 0.135361 0.136448 V\n0.002827 0.998969 -0.002014 Cr\n0.473569 0.509579 0.507070 Cr\n0.033571 0.654765 0.658595 Fe\n0.428620 0.858261 0.855497 Fe\n0.232480 0.253361 0.252554 Fe\n0.246267 0.256044 0.549566 P\n0.237009 0.947626 0.255963 P\n0.246045 0.552784 0.944272 P\n0.725274 0.467636 0.055434 P\n0.731277 0.051211 0.755688 P\n0.725317 0.754384 0.468064 P\n0.063772 0.110196 0.315692 O\n0.071461 0.504780 0.108692 O\n0.070193 0.316445 0.499030 O\n0.230568 0.099603 0.742925 O\n0.417575 0.198627 0.382543 O\n0.266435 0.420491 0.557528 O\n0.217003 0.928792 0.098380 O\n0.260061 0.753407 0.419233 O\n0.551103 0.609619 0.997816 O\n0.263422 0.558579 0.752540 O\n0.765076 0.265230 0.072716 O\n0.557782 0.993096 0.847260 O\n0.411469 -0.000255 0.197331 O\n0.232347 0.746193 0.917957 O\n0.683992 0.463910 0.255457 O\n0.419408 0.383400 -0.002263 O\n0.686968 0.252406 0.604283 O\n0.776593 0.065423 0.904621 O\n0.681847 0.602390 0.462363 O\n0.554792 0.844798 0.606494 O\n0.766339 0.903096 0.264306 O\n0.905638 0.669163 0.518452 O\n0.903641 0.517992 0.909364 O\n0.909051 0.906291 0.674997 O\n",
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]
}