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{
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{
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{
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{
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{
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{
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"formula_full": "Zn1 H12 S2 O12",
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},
{
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"created_at": "2022-09-04T14:40:28.203233Z",
"structure_string": "Ba2 Pr1 Bi1 O6\n1.0\n-0.000000 -4.451168 -4.451168\n4.451168 -0.000000 -4.451168\n4.451168 -4.451168 -0.000000\nBa Pr Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pr\n0.000000 -0.000000 -0.000000 Bi\n0.761058 0.238942 0.238942 O\n0.238942 0.761058 0.761058 O\n0.761058 0.238942 0.761058 O\n0.238942 0.761058 0.238942 O\n0.761058 0.761058 0.238942 O\n0.238942 0.238942 0.761058 O\n",
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"formula_full": "Ba2 Pr1 Bi1 O6",
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"spacegroup": 225
},
{
"id": "mp-1035407",
"created_at": "2022-09-04T14:39:10.747592Z",
"structure_string": "Rb1 Li1 Mg14 O15\n1.0\n8.494316 0.000000 0.000000\n0.000000 8.755519 0.000000\n0.000000 0.000000 4.361565\nRb Li Mg O\n1 1 14 15\ndirect\n0.091602 0.500000 -0.000000 Rb\n0.983306 -0.000000 -0.000000 Li\n0.502693 -0.000000 -0.000000 Mg\n0.522129 0.500000 -0.000000 Mg\n0.992948 0.237270 0.500000 Mg\n0.992948 0.762730 0.500000 Mg\n0.497066 0.251135 0.500000 Mg\n0.497066 0.748865 0.500000 Mg\n0.240896 -0.000000 0.500000 Mg\n0.250867 0.500000 0.500000 Mg\n0.752579 -0.000000 0.500000 Mg\n0.764465 0.500000 0.500000 Mg\n0.238848 0.215433 -0.000000 Mg\n0.238848 0.784567 -0.000000 Mg\n0.761752 0.249812 -0.000000 Mg\n0.761752 0.750188 -0.000000 Mg\n0.266062 -0.000000 -0.000000 O\n0.734535 -0.000000 -0.000000 O\n0.747307 0.500000 -0.000000 O\n0.244645 0.261387 0.500000 O\n0.244645 0.738613 0.500000 O\n0.743365 0.250549 0.500000 O\n0.743365 0.749451 0.500000 O\n0.000571 -0.000000 0.500000 O\n0.997019 0.500000 0.500000 O\n0.492062 -0.000000 0.500000 O\n0.484797 0.500000 0.500000 O\n0.000669 0.229028 0.000000 O\n0.000669 0.770972 -0.000000 O\n0.480261 0.265337 -0.000000 O\n0.480261 0.734663 -0.000000 O\n",
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"density_atomic": 0.09556723844507381,
"volume": 324.3789451739458,
"volume_molar": 6.301469894896208,
"formula_full": "Rb1 Li1 Mg14 O15",
"formula_reduced": "RbLiMg14O15",
"formula_anonymous": "ABC14D15",
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"updated_at": "2021-11-28T01:34:37.104000Z",
"spacegroup": 25
},
{
"id": "mp-753994",
"created_at": "2022-09-04T14:41:03.094704Z",
"structure_string": "Li4 Mn2 Si6 O16\n1.0\n-2.185410 4.519086 3.989209\n2.189078 -4.424012 3.919382\n7.915919 5.277978 -3.861335\nLi Mn Si O\n4 2 6 16\ndirect\n0.854567 0.785163 0.141193 Li\n0.854586 0.285165 0.641176 Li\n0.108857 0.689374 0.388696 Li\n0.108888 0.189393 0.888703 Li\n0.613983 0.085833 0.810805 Mn\n0.614007 0.585980 0.310874 Mn\n0.823147 0.259938 0.147260 Si\n0.823144 0.759927 0.647257 Si\n0.405148 0.931500 0.167672 Si\n0.405135 0.431473 0.667664 Si\n0.193163 0.250753 0.361740 Si\n0.193173 0.750768 0.861738 Si\n0.858637 0.648274 0.490148 O\n0.858634 0.148272 0.990151 O\n0.186445 0.796283 0.030073 O\n0.186440 0.296279 0.530074 O\n0.887558 0.543430 0.210972 O\n0.887562 0.043418 0.710968 O\n0.553335 0.763676 0.179325 O\n0.553334 0.263670 0.679323 O\n0.313460 0.494471 0.351930 O\n0.313483 0.994474 0.851924 O\n0.557362 0.174679 0.156474 O\n0.557356 0.674660 0.656452 O\n0.944656 0.148945 0.256124 O\n0.944658 0.648947 0.756121 O\n0.298238 0.026230 0.307581 O\n0.298239 0.526228 0.807580 O\n",
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"formula_full": "Li4 Mn2 Si6 O16",
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]
}