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{
"id": "mp-1035418",
"created_at": "2022-09-04T14:43:53.678312Z",
"structure_string": "Na1 Li1 Mg14 O15\n1.0\n8.492198 0.000000 0.000000\n0.000000 8.667328 0.000000\n0.000000 0.000000 4.267768\nNa Li Mg O\n1 1 14 15\ndirect\n0.504769 0.500000 0.000000 Na\n0.996213 0.000000 0.000000 Li\n0.982728 0.500000 0.000000 Mg\n0.503813 0.000000 0.000000 Mg\n0.000745 0.244258 0.500000 Mg\n0.000745 0.755742 0.500000 Mg\n0.499226 0.250234 0.500000 Mg\n0.499226 0.749766 0.500000 Mg\n0.245471 0.000000 0.500000 Mg\n0.251525 0.500000 0.500000 Mg\n0.756314 0.000000 0.500000 Mg\n0.742445 0.500000 0.500000 Mg\n0.249036 0.223170 -0.000000 Mg\n0.249036 0.776830 0.000000 Mg\n0.749187 0.247011 -0.000000 Mg\n0.749187 0.752989 -0.000000 Mg\n0.252863 0.000000 0.000000 O\n0.748146 0.000000 0.000000 O\n0.756783 0.500000 0.000000 O\n0.250013 0.258916 0.500000 O\n0.250013 0.741084 0.500000 O\n0.750927 0.253342 0.500000 O\n0.750927 0.746658 0.500000 O\n0.002844 0.000000 0.500000 O\n0.014419 0.500000 0.500000 O\n0.497154 0.000000 0.500000 O\n0.484501 0.500000 0.500000 O\n0.012724 0.267961 0.000000 O\n0.012724 0.732039 0.000000 O\n0.493148 0.239773 0.000000 O\n0.493148 0.760227 0.000000 O\n",
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{
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"structure_string": "Li4 Ni4 P4 O16\n1.0\n-0.000001 5.559958 0.000000\n0.000014 -0.000001 7.930272\n5.789551 -0.000001 0.000011\nLi Ni P O\n4 4 4 16\ndirect\n0.000005 0.999995 0.000000 Li\n0.499995 0.500005 0.500000 Li\n0.499995 0.999995 0.000000 Li\n0.000005 0.500005 0.500000 Li\n0.250000 0.750000 0.750000 Ni\n0.250000 0.750000 0.250000 Ni\n0.750000 0.250000 0.250000 Ni\n0.750000 0.250000 0.750000 Ni\n0.250000 0.120300 0.500000 P\n0.750000 0.620324 0.000001 P\n0.250000 0.379699 0.999999 P\n0.750000 0.879677 0.499999 P\n0.249999 0.011619 0.276998 O\n0.749999 0.511633 0.776981 O\n0.250001 0.488381 0.777000 O\n0.750000 0.988366 0.276983 O\n0.250000 0.011620 0.723002 O\n0.750000 0.511633 0.223016 O\n0.250001 0.488382 0.223003 O\n0.750001 0.988366 0.723020 O\n0.020853 0.239404 0.499999 O\n0.520842 0.739396 0.000000 O\n0.479147 0.239404 0.499999 O\n0.979157 0.739397 0.999998 O\n0.020853 0.260594 0.000001 O\n0.520843 0.760604 0.500002 O\n0.479147 0.260595 0.000002 O\n0.979158 0.760605 0.499999 O\n",
"nsites": 28,
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"elements": [
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"formula_full": "Li4 Ni4 P4 O16",
"formula_reduced": "LiNiPO4",
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"spacegroup": 74
},
{
"id": "mp-1019740",
"created_at": "2022-09-04T14:43:05.971236Z",
"structure_string": "Ga1 B3 N4\n1.0\n3.873710 0.000000 0.000000\n0.000000 3.873710 0.000000\n0.000000 0.000000 3.873710\nGa B N\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.727476 0.727476 0.272524 N\n0.727476 0.272524 0.727476 N\n0.272524 0.727476 0.727476 N\n0.272524 0.272524 0.272524 N\n",
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"formula_full": "Ga1 B3 N4",
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},
{
"id": "mp-1179454",
"created_at": "2022-09-04T14:47:11.510817Z",
"structure_string": "Si4 O8\n1.0\n-4.512786 4.512786 2.635587\n4.512786 -4.512786 2.635587\n4.512786 4.512786 -2.635587\nSi O\n4 8\ndirect\n0.176700 0.176700 0.353400 Si\n0.823300 0.176700 0.000000 Si\n0.176700 0.823300 0.000000 Si\n0.823300 0.823300 0.646600 Si\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.208923 0.208923 O\n0.791077 0.000000 0.791077 O\n0.208923 0.000000 0.208923 O\n0.000000 0.791077 0.791077 O\n",
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"elements": [
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"formula_full": "Si4 O8",
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"updated_at": "2021-11-28T01:37:55.864000Z",
"spacegroup": 139
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{
"id": "mp-1521661",
"created_at": "2022-09-04T14:43:54.670302Z",
"structure_string": "K4 Ba4 Nd4 W4 O24\n1.0\n8.613296 0.000000 0.000000\n0.000000 8.596036 0.000000\n0.000000 0.000000 8.608210\nK Ba Nd W O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.000000 K\n-0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n-0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.750000 Nd\n0.250000 0.750000 0.250000 Nd\n0.750000 0.250000 0.250000 Nd\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.023171 0.232638 0.266296 O\n0.976829 0.767362 0.266296 O\n0.976829 0.232638 0.733704 O\n0.023171 0.767362 0.733704 O\n0.265727 0.022357 0.226176 O\n0.265727 0.977643 0.773824 O\n0.734273 0.977643 0.226176 O\n0.734273 0.022357 0.773824 O\n0.231689 0.260274 0.023042 O\n0.768311 0.260274 0.976958 O\n0.231689 0.739726 0.976958 O\n0.768311 0.739726 0.023042 O\n0.476829 0.267362 0.233704 O\n0.523171 0.732638 0.233704 O\n0.523171 0.267362 0.766296 O\n0.476829 0.732638 0.766296 O\n0.234273 0.477643 0.273824 O\n0.234273 0.522357 0.726176 O\n0.765727 0.522357 0.273824 O\n0.765727 0.477643 0.726176 O\n0.268311 0.239726 0.476958 O\n0.731689 0.239726 0.523042 O\n0.268311 0.760274 0.523042 O\n0.731689 0.760274 0.476958 O\n",
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{
"id": "mp-1103970",
"created_at": "2022-09-04T14:45:34.933486Z",
"structure_string": "Fe4 S4 O16 F4\n1.0\n0.000001 -7.240376 -0.000004\n6.421744 -0.000003 -3.663027\n0.029390 0.000004 7.433323\nFe S O F\n4 4 16 4\ndirect\n0.750005 0.750000 0.000004 Fe\n0.250001 0.750001 0.499996 Fe\n0.249997 0.250001 0.000001 Fe\n0.749999 0.250005 0.500005 Fe\n0.870211 0.500000 0.250000 S\n0.370211 0.000001 0.249999 S\n0.629789 0.999998 0.749998 S\n0.129789 0.500001 0.750001 S\n0.986151 0.337909 0.083412 O\n0.486153 0.837912 0.083413 O\n0.513848 0.162087 0.916586 O\n0.013849 0.662093 0.916592 O\n0.986152 0.662089 0.416589 O\n0.486152 0.162090 0.416588 O\n0.513847 0.837907 0.583409 O\n0.013847 0.337912 0.583413 O\n0.247636 0.903547 0.338362 O\n0.747636 0.403549 0.338367 O\n0.252363 0.596452 0.661634 O\n0.752364 0.096450 0.661633 O\n0.747635 0.596453 0.161636 O\n0.247636 0.096450 0.161631 O\n0.752363 0.903546 0.838364 O\n0.252365 0.403547 0.838364 O\n0.331871 0.500000 0.249999 F\n0.831874 0.000000 0.250000 F\n0.168128 0.000001 0.749998 F\n0.668128 0.500002 0.750003 F\n",
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"volume": 346.3980778693112,
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"formula_full": "Fe4 S4 O16 F4",
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{
"id": "mp-1235332",
"created_at": "2022-09-04T14:43:14.855407Z",
"structure_string": "Li1 Ho2 Cu1 Si4 O12\n1.0\n5.005989 -0.037880 0.405146\n1.384357 6.310259 3.001999\n-0.016837 -0.000397 7.780955\nLi Ho Cu Si O\n1 2 1 4 12\ndirect\n0.893843 0.326519 0.006943 Li\n0.013314 0.785033 0.432611 Ho\n0.978152 0.220489 0.573451 Ho\n0.011385 0.949700 0.006287 Cu\n0.577755 0.594092 0.215860 Si\n0.414008 0.416272 0.782643 Si\n0.434672 0.182636 0.217459 Si\n0.550120 0.822560 0.781773 Si\n0.300728 0.756549 0.217143 O\n0.718149 0.276121 0.798960 O\n0.284736 0.332840 0.001968 O\n0.692485 0.653697 0.994558 O\n0.192009 0.438987 0.631930 O\n0.813623 0.563499 0.362116 O\n0.287902 0.994667 0.794066 O\n0.716860 0.029157 0.198757 O\n0.533815 0.347485 0.288229 O\n0.436575 0.669035 0.704095 O\n0.195865 0.088868 0.360554 O\n0.787336 0.922163 0.638930 O\n",
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"formula_full": "Li1 Ho2 Cu1 Si4 O12",
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{
"id": "mp-1112327",
"created_at": "2022-09-04T14:43:11.055501Z",
"structure_string": "Cs1 K2 Al1 Cl6\n1.0\n0.000000 5.559383 5.559383\n5.559383 0.000000 5.559383\n5.559383 5.559383 0.000000\nCs K Al Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.789369 0.210631 0.210631 Cl\n0.210631 0.210631 0.789369 Cl\n0.210631 0.789369 0.789369 Cl\n0.210631 0.789369 0.210631 Cl\n0.789369 0.210631 0.789369 Cl\n0.789369 0.789369 0.210631 Cl\n",
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"formula_full": "Cs1 K2 Al1 Cl6",
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{
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