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{
"id": "mp-850732",
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"structure_string": "Sb2 H10 Cl12 O4\n1.0\n7.111539 0.000000 0.000000\n-3.529123 6.174081 0.000000\n-2.182235 -2.860153 12.270093\nSb H Cl O\n2 10 12 4\ndirect\n0.996456 0.248606 0.246763 Sb\n0.001842 0.749693 0.753237 Sb\n0.694579 0.432352 0.083581 H\n0.565881 0.513319 0.150387 H\n0.465247 0.468929 0.995999 H\n0.362932 0.415494 0.849613 H\n0.647243 0.887059 0.577296 H\n0.348771 0.610998 0.916419 H\n0.620190 0.068752 0.649128 H\n0.529046 0.029046 0.500000 H\n0.419624 0.971062 0.350872 H\n0.309763 0.069947 0.422704 H\n0.192569 0.076739 0.675315 Cl\n0.682939 0.588934 0.590961 Cl\n0.073873 0.995497 0.155463 Cl\n0.840034 0.918410 0.844537 Cl\n0.997973 0.091978 0.409039 Cl\n0.401423 0.517254 0.324685 Cl\n0.598307 0.983305 0.172614 Cl\n0.000961 0.411571 0.089020 Cl\n0.165275 0.579972 0.657722 Cl\n0.922250 0.507553 0.342278 Cl\n0.322551 0.911941 0.910980 Cl\n0.810690 0.425693 0.827386 Cl\n0.556415 0.437007 0.079068 O\n0.357939 0.477347 0.920932 O\n0.637417 0.020735 0.578341 O\n0.442394 0.059077 0.421659 O\n",
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{
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"structure_string": "La7 Sc1 Al8 O24\n1.0\n7.570756 0.000000 0.000000\n0.000000 7.570756 0.000000\n0.000000 0.000000 7.570756\nLa Sc Al O\n7 1 8 24\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.500000 0.000000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sc\n0.751237 0.751237 0.751237 Al\n0.751237 0.751237 0.248763 Al\n0.751237 0.248763 0.751237 Al\n0.751237 0.248763 0.248763 Al\n0.248763 0.751237 0.751237 Al\n0.248763 0.751237 0.248763 Al\n0.248763 0.248763 0.751237 Al\n0.248763 0.248763 0.248763 Al\n0.752443 0.000000 0.752443 O\n0.752443 0.000000 0.247557 O\n0.750184 0.500000 0.750184 O\n0.750184 0.500000 0.249816 O\n0.247557 0.000000 0.752443 O\n0.247557 0.000000 0.247557 O\n0.249816 0.500000 0.750184 O\n0.249816 0.500000 0.249816 O\n0.752443 0.752443 0.000000 O\n0.750184 0.750184 0.500000 O\n0.752443 0.247557 0.000000 O\n0.750184 0.249816 0.500000 O\n0.247557 0.752443 0.000000 O\n0.249816 0.750184 0.500000 O\n0.247557 0.247557 0.000000 O\n0.249816 0.249816 0.500000 O\n0.000000 0.752443 0.752443 O\n0.000000 0.752443 0.247557 O\n0.000000 0.247557 0.752443 O\n0.000000 0.247557 0.247557 O\n0.500000 0.750184 0.750184 O\n0.500000 0.750184 0.249816 O\n0.500000 0.249816 0.750184 O\n0.500000 0.249816 0.249816 O\n",
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"spacegroup": 221
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{
"id": "mp-695070",
"created_at": "2022-09-04T14:39:49.001991Z",
"structure_string": "Ca12 Ga8 Si4 Sn8 O48\n1.0\n-6.342566 6.342566 6.246548\n6.342566 -6.342566 6.246548\n6.342566 6.342566 -6.246548\nCa Ga Si Sn O\n12 8 4 8 48\ndirect\n0.750000 0.750000 0.000000 Ca\n0.875000 0.249558 0.874558 Ca\n0.499558 0.125000 0.874558 Ca\n0.250000 0.250000 0.000000 Ca\n0.875000 0.749558 0.374558 Ca\n0.250442 0.625000 0.125442 Ca\n0.999558 0.125000 0.374558 Ca\n0.000000 0.500000 0.500000 Ca\n0.375000 0.000442 0.125442 Ca\n0.750442 0.625000 0.625442 Ca\n0.375000 0.500442 0.625442 Ca\n0.500000 0.000000 0.500000 Ca\n0.000662 0.625000 0.875662 Ga\n0.375000 0.750662 0.875662 Ga\n0.875000 0.499338 0.124338 Ga\n0.749338 0.125000 0.124338 Ga\n0.500662 0.625000 0.375662 Ga\n0.375000 0.250662 0.375662 Ga\n0.875000 0.999338 0.624338 Ga\n0.249338 0.125000 0.624338 Ga\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.125000 0.375000 0.750000 Sn\n0.625000 0.875000 0.250000 Sn\n0.125000 0.875000 0.750000 Sn\n0.625000 0.375000 0.250000 Sn\n0.125000 0.375000 0.250000 Sn\n0.125000 0.875000 0.250000 Sn\n0.625000 0.875000 0.750000 Sn\n0.625000 0.375000 0.750000 Sn\n0.825984 0.871121 0.861709 O\n0.029487 0.194463 0.777899 O\n0.046401 0.474668 0.874994 O\n0.805537 0.583436 0.835024 O\n0.529487 0.751588 0.835024 O\n0.535725 0.490588 0.861709 O\n0.724668 0.349674 0.928268 O\n0.916564 0.694463 0.164976 O\n0.025332 0.453599 0.125006 O\n0.035725 0.174016 0.045137 O\n0.421406 0.796401 0.071732 O\n0.248412 0.083436 0.777899 O\n0.703599 0.078594 0.928268 O\n0.325984 0.464275 0.954863 O\n0.628879 0.674016 0.138291 O\n0.509412 0.371121 0.045137 O\n0.150326 0.775332 0.071732 O\n0.328594 0.900326 0.874994 O\n0.009412 0.964275 0.138291 O\n0.833436 0.498412 0.277899 O\n0.944463 0.279487 0.277899 O\n0.599674 0.171406 0.125006 O\n0.501588 0.779487 0.335024 O\n0.128879 0.990588 0.954863 O\n0.121121 0.759412 0.545137 O\n0.748412 0.970513 0.164976 O\n0.650326 0.578594 0.374994 O\n0.305537 0.470513 0.222101 O\n0.416564 0.251588 0.222101 O\n0.240588 0.785725 0.361709 O\n0.921406 0.849674 0.625006 O\n0.099674 0.974668 0.428268 O\n0.740588 0.378879 0.454863 O\n0.621121 0.075984 0.361709 O\n0.924016 0.285725 0.545137 O\n0.546401 0.671406 0.571732 O\n0.001588 0.666564 0.722101 O\n0.828594 0.953599 0.428268 O\n0.224668 0.296401 0.374994 O\n0.214275 0.575984 0.454863 O\n0.333436 0.055537 0.335024 O\n0.525332 0.400326 0.571732 O\n0.714275 0.259412 0.638291 O\n0.720513 0.998412 0.664976 O\n0.444463 0.166564 0.664976 O\n0.203599 0.275332 0.625006 O\n0.220513 0.555537 0.722101 O\n0.424016 0.878879 0.638291 O\n",
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"formula_full": "Ca12 Ga8 Si4 Sn8 O48",
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"spacegroup": 142
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{
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"created_at": "2022-09-04T14:39:49.094092Z",
"structure_string": "Sr2 Ce1 Hf1 O6\n1.0\n-0.000000 -4.286262 -4.286262\n4.286262 0.000000 -4.286262\n4.286262 -4.286262 -0.000000\nSr Ce Hf O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Hf\n0.741501 0.258499 0.258499 O\n0.258499 0.741501 0.741501 O\n0.741501 0.258499 0.741501 O\n0.258499 0.741501 0.258499 O\n0.741501 0.741501 0.258499 O\n0.258499 0.258499 0.741501 O\n",
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"formula_full": "Sr2 Ce1 Hf1 O6",
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{
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"structure_string": "K2 Mg1 C2 O6\n1.0\n6.113294 -2.606780 0.000000\n6.113294 2.606780 0.000000\n5.001732 0.000000 4.376110\nK Mg C O\n2 1 2 6\ndirect\n0.788610 0.788610 0.788610 K\n0.211390 0.211390 0.211390 K\n0.000000 0.000000 0.000000 Mg\n0.597209 0.597209 0.597209 C\n0.402791 0.402791 0.402791 C\n0.260029 0.692405 0.260029 O\n0.260029 0.260029 0.692405 O\n0.692405 0.260029 0.260029 O\n0.307595 0.739971 0.739971 O\n0.739971 0.739971 0.307595 O\n0.739971 0.307595 0.739971 O\n",
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{
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{
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{
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