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{
"id": "mp-1191664",
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{
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"formula_full": "Sr1 Nd1 Hf1 Ti1 O6",
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{
"id": "mp-1219873",
"created_at": "2022-09-04T14:46:41.243500Z",
"structure_string": "Pr2 Ga7 Ni1\n1.0\n4.299024 0.000000 0.000000\n0.000000 4.299024 0.000000\n0.000000 0.000000 10.426185\nPr Ga Ni\n2 7 1\ndirect\n0.000000 0.000000 0.997839 Pr\n0.500000 0.500000 0.484898 Pr\n0.000000 0.500000 0.232305 Ga\n0.500000 0.000000 0.755575 Ga\n0.500000 0.000000 0.232305 Ga\n0.000000 0.500000 0.755575 Ga\n0.000000 0.000000 0.618066 Ga\n0.000000 0.000000 0.380195 Ga\n0.500000 0.500000 0.910425 Ga\n0.500000 0.500000 0.132819 Ni\n",
"nsites": 10,
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"density": 7.140242784207328,
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"formula_full": "Pr2 Ga7 Ni1",
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"spacegroup": 99
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{
"id": "mp-1180952",
"created_at": "2022-09-04T14:46:28.959008Z",
"structure_string": "K1 Fe3 H6 S2 O14\n1.0\n8.102990 -4.368731 0.000000\n8.102990 4.368731 0.000000\n5.747586 0.000000 7.190933\nK Fe H S O\n1 3 6 2 14\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.051312 0.472370 0.472370 H\n0.472370 0.472370 0.051312 H\n0.472370 0.051312 0.472370 H\n0.527630 0.948688 0.527630 H\n0.948688 0.527630 0.527630 H\n0.527630 0.527630 0.948688 H\n0.352545 0.352545 0.352545 S\n0.647455 0.647455 0.647455 S\n0.416833 0.416833 0.416833 O\n0.583167 0.583167 0.583167 O\n0.474977 0.123864 0.123864 O\n0.123864 0.123864 0.474977 O\n0.123864 0.474977 0.123864 O\n0.876136 0.525023 0.876136 O\n0.525023 0.876136 0.876136 O\n0.876136 0.876136 0.525023 O\n0.665751 0.030430 0.030430 O\n0.030430 0.030430 0.665751 O\n0.030430 0.665751 0.030430 O\n0.969570 0.334249 0.969570 O\n0.334249 0.969570 0.969570 O\n0.969570 0.969570 0.334249 O\n",
"nsites": 26,
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"formula_full": "K1 Fe3 H6 S2 O14",
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"spacegroup": 166
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{
"id": "mp-1226832",
"created_at": "2022-09-04T14:46:29.005932Z",
"structure_string": "Ce2 U2 C8\n1.0\n0.000000 5.889673 0.000000\n-0.007274 0.000000 4.965031\n5.879630 0.000000 0.008086\nCe U C\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.994821 0.500253 0.115218 C\n0.494821 0.999747 0.884782 C\n0.112911 0.000015 0.492905 C\n0.612911 0.499985 0.507095 C\n0.005179 0.499747 0.884782 C\n0.505179 0.000253 0.115218 C\n0.887089 0.999985 0.507095 C\n0.387089 0.500015 0.492905 C\n",
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"density": 8.232201559410669,
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"formula_full": "Ce2 U2 C8",
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{
"id": "mp-1227131",
"created_at": "2022-09-04T14:46:54.708733Z",
"structure_string": "Ca1 Tb3 Mn4 O12\n1.0\n7.619345 0.000000 0.000000\n0.000000 5.351363 0.000000\n0.000000 0.054470 5.653421\nCa Tb Mn O\n1 3 4 12\ndirect\n0.500000 0.485236 0.560339 Ca\n0.500000 0.017326 0.066932 Tb\n0.000000 0.517462 0.432027 Tb\n0.000000 0.983955 0.933116 Tb\n0.252283 0.002380 0.500707 Mn\n0.748291 0.498414 0.998000 Mn\n0.747717 0.002380 0.500707 Mn\n0.251709 0.498414 0.998000 Mn\n0.500000 0.605466 0.970984 O\n0.500000 0.905995 0.463507 O\n0.000000 0.396971 0.033100 O\n0.000000 0.105692 0.533253 O\n0.297190 0.199429 0.815218 O\n0.701739 0.294321 0.297536 O\n0.804724 0.791041 0.192596 O\n0.191068 0.705364 0.699316 O\n0.195276 0.791041 0.192596 O\n0.808932 0.705364 0.699316 O\n0.702810 0.199429 0.815218 O\n0.298261 0.294321 0.297536 O\n",
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{
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"structure_string": "Pr1 Nd1 Zn2\n1.0\n0.000000 3.704277 3.704277\n3.704277 0.000000 3.704277\n3.704277 3.704277 0.000000\nPr Nd Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
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{
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"structure_string": "Ca6 Ir6 N10\n1.0\n6.577859 1.106378 0.336324\n0.429033 6.689601 0.515651\n-2.460505 -2.694165 7.318297\nCa Ir N\n6 6 10\ndirect\n0.934840 0.359977 0.610533 Ca\n0.065160 0.640023 0.389467 Ca\n0.644122 0.829688 0.848271 Ca\n0.355878 0.170312 0.151729 Ca\n0.563617 0.652604 0.210942 Ca\n0.436383 0.347396 0.789058 Ca\n0.893404 0.353631 0.970251 Ir\n0.106596 0.646369 0.029749 Ir\n0.716170 0.000462 0.543742 Ir\n0.283830 0.999538 0.456258 Ir\n0.102457 0.835732 0.763054 Ir\n0.897543 0.164268 0.236946 Ir\n0.850844 0.064271 0.804619 N\n0.149156 0.935729 0.195381 N\n0.823669 0.713764 0.596284 N\n0.176331 0.286236 0.403716 N\n0.840088 0.655311 0.100137 N\n0.159912 0.344689 0.899863 N\n0.289102 0.887679 0.641096 N\n0.710898 0.112321 0.358904 N\n0.339788 0.721575 0.934551 N\n0.660212 0.278425 0.065449 N\n",
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{
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"structure_string": "Ba4 Ru4 N8\n1.0\n6.660087 -0.115128 0.000000\n10.621470 5.240007 0.000000\n0.000000 0.000000 8.043269\nBa Ru N\n4 4 8\ndirect\n0.000000 0.155847 0.561975 Ba\n0.000000 0.844153 0.438025 Ba\n0.000000 0.344153 0.061975 Ba\n0.000000 0.655847 0.938025 Ba\n0.000000 0.437867 0.628775 Ru\n0.000000 0.562133 0.371225 Ru\n0.000000 0.062133 0.128775 Ru\n0.000000 0.937867 0.871225 Ru\n0.000000 0.117617 0.902050 N\n0.000000 0.882383 0.097950 N\n0.000000 0.382383 0.402050 N\n0.000000 0.617617 0.597950 N\n0.500000 0.654089 0.750000 N\n0.500000 0.845911 0.250000 N\n0.500000 0.345911 0.250000 N\n0.500000 0.154089 0.750000 N\n",
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{
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{
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