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{
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{
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{
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{
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"structure_string": "Sr3 Ca1 Sn16\n1.0\n-2.379727 7.063954 8.697994\n2.379727 -7.063954 8.697994\n2.379727 7.063954 -8.697994\nSr Ca Sn\n3 1 16\ndirect\n0.111894 0.611894 0.500000 Sr\n0.137614 0.387905 0.749709 Sr\n0.638196 0.387905 0.250291 Sr\n0.612108 0.612108 0.000000 Ca\n0.909995 0.409995 0.500000 Sn\n0.411540 0.411540 0.000000 Sn\n0.838727 0.590104 0.248623 Sn\n0.341482 0.590104 0.751377 Sn\n0.907086 0.802988 0.104098 Sn\n0.408794 0.804101 0.604693 Sn\n0.838350 0.194877 0.643473 Sn\n0.341760 0.195954 0.145806 Sn\n0.698889 0.802988 0.895902 Sn\n0.199408 0.804101 0.395307 Sn\n0.050148 0.195954 0.854194 Sn\n0.551405 0.194877 0.356527 Sn\n0.624738 0.001346 0.623392 Sn\n0.124806 0.999956 0.124850 Sn\n0.875106 0.999956 0.875150 Sn\n0.377955 0.001346 0.376608 Sn\n",
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{
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"created_at": "2022-09-04T14:39:08.135073Z",
"structure_string": "Cu9 Se5\n1.0\n2.929408 6.517447 0.000000\n-2.929408 6.517447 0.000000\n0.000000 6.318347 6.529317\nCu Se\n9 5\ndirect\n0.472141 0.144503 0.291090 Cu\n0.855497 0.527859 0.708910 Cu\n0.265761 0.946431 0.085078 Cu\n0.062393 0.611662 0.325941 Cu\n0.388338 0.937607 0.674059 Cu\n0.640369 0.359631 0.500000 Cu\n0.053569 0.734239 0.914922 Cu\n0.866713 0.399586 0.130727 Cu\n0.600414 0.133287 0.869273 Cu\n0.994256 0.208712 0.593010 Se\n0.414779 0.585221 0.000000 Se\n0.791288 0.005744 0.406990 Se\n0.194365 0.417881 0.788084 Se\n0.582119 0.805635 0.211916 Se\n",
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{
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"structure_string": "Zr2 Sn2 Te2\n1.0\n4.109961 0.000000 0.000000\n0.000000 4.109961 0.000000\n0.000000 0.000000 8.807039\nZr Sn Te\n2 2 2\ndirect\n0.500000 0.000000 0.263928 Zr\n0.000000 0.500000 0.736072 Zr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.619150 Te\n0.000000 0.500000 0.380850 Te\n",
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{
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"structure_string": "Tb20 Bi12\n1.0\n8.302245 0.000000 0.000000\n0.000000 9.587123 0.000000\n0.000000 0.000000 12.111782\nTb Bi\n20 12\ndirect\n0.352577 0.750000 0.214462 Tb\n0.852577 0.750000 0.285538 Tb\n0.647423 0.250000 0.785538 Tb\n0.147423 0.250000 0.714462 Tb\n0.693559 0.562669 0.057970 Tb\n0.193559 0.937331 0.442030 Tb\n0.306441 0.062669 0.942030 Tb\n0.806441 0.437331 0.557970 Tb\n0.306441 0.437331 0.942030 Tb\n0.806441 0.062669 0.557970 Tb\n0.693559 0.937331 0.057970 Tb\n0.193559 0.562669 0.442030 Tb\n0.475428 0.250000 0.488269 Tb\n0.975428 0.250000 0.011731 Tb\n0.524572 0.750000 0.511731 Tb\n0.024572 0.750000 0.988269 Tb\n0.313170 0.250000 0.219530 Tb\n0.813170 0.250000 0.280470 Tb\n0.686830 0.750000 0.780470 Tb\n0.186830 0.750000 0.719530 Tb\n0.408599 0.750000 0.956943 Bi\n0.908599 0.750000 0.543057 Bi\n0.591401 0.250000 0.043057 Bi\n0.091401 0.250000 0.456943 Bi\n0.564759 0.995502 0.325282 Bi\n0.064759 0.504498 0.174718 Bi\n0.435241 0.495502 0.674718 Bi\n0.935241 0.004498 0.825282 Bi\n0.435241 0.004498 0.674718 Bi\n0.935241 0.495502 0.825282 Bi\n0.564759 0.504498 0.325282 Bi\n0.064759 0.995502 0.174718 Bi\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Bi-Tb",
"density": 9.794557549868808,
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"volume": 964.0329763882369,
"volume_molar": 18.14231962841162,
"formula_full": "Tb20 Bi12",
"formula_reduced": "Tb5Bi3",
"formula_anonymous": "A3B5",
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"updated_at": "2021-11-28T01:34:30.245000Z",
"spacegroup": 62
},
{
"id": "mp-707218",
"created_at": "2022-09-04T14:39:12.345854Z",
"structure_string": "Ba12 Al4 H4 O16\n1.0\n7.339961 0.000000 0.000000\n0.000000 8.272684 0.000000\n0.000000 0.000000 10.626619\nBa Al H O\n12 4 4 16\ndirect\n0.399017 0.025851 0.834449 Ba\n0.100983 0.474149 0.334449 Ba\n0.600983 0.525851 0.165551 Ba\n0.899017 0.974149 0.665551 Ba\n0.600983 0.974149 0.165551 Ba\n0.899017 0.525851 0.665551 Ba\n0.399017 0.474149 0.834449 Ba\n0.100983 0.025851 0.334449 Ba\n0.901761 0.250000 0.963316 Ba\n0.598239 0.250000 0.463316 Ba\n0.098239 0.750000 0.036684 Ba\n0.401761 0.750000 0.536684 Ba\n0.189257 0.250000 0.603596 Al\n0.310743 0.250000 0.103596 Al\n0.810743 0.750000 0.396404 Al\n0.689257 0.750000 0.896404 Al\n0.660772 0.250000 0.730762 H\n0.839228 0.250000 0.230762 H\n0.339228 0.750000 0.269238 H\n0.160772 0.750000 0.769238 H\n0.305865 0.066153 0.572426 O\n0.194135 0.433847 0.072426 O\n0.694135 0.566153 0.427574 O\n0.805865 0.933847 0.927574 O\n0.694135 0.933847 0.427574 O\n0.805865 0.566153 0.927574 O\n0.305865 0.433847 0.572426 O\n0.194135 0.066153 0.072426 O\n0.983354 0.250000 0.512001 O\n0.516646 0.250000 0.012001 O\n0.016646 0.750000 0.487999 O\n0.483354 0.750000 0.987999 O\n0.129161 0.250000 0.767487 O\n0.370839 0.250000 0.267487 O\n0.870839 0.750000 0.232513 O\n0.629161 0.750000 0.732513 O\n",
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"nelements": 4,
"elements": [
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"H",
"O"
],
"chemical_system": "Al-Ba-H-O",
"density": 5.18772349380992,
"density_atomic": 0.05579139274284734,
"volume": 645.2608230436285,
"volume_molar": 10.79403195356162,
"formula_full": "Ba12 Al4 H4 O16",
"formula_reduced": "Ba3AlHO4",
"formula_anonymous": "ABC3D4",
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"total_magnetization": 0.0004754,
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"updated_at": "2021-11-28T01:34:40.226000Z",
"spacegroup": 62
}
]
}