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{
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"results": [
{
"id": "mp-759726",
"created_at": "2022-09-04T14:47:56.144907Z",
"structure_string": "Li8 Mn4 Si4 O16\n1.0\n-0.042670 0.000832 5.092833\n-6.374429 -0.000092 -0.055518\n-0.000140 -10.897455 -0.001779\nLi Mn Si O\n8 4 4 16\ndirect\n0.181375 0.000460 0.587606 Li\n0.318420 0.499518 0.087674 Li\n0.181384 0.498090 0.587593 Li\n0.681536 0.500432 0.913071 Li\n0.818632 0.501828 0.413245 Li\n0.681502 0.998236 0.913183 Li\n0.818614 0.999395 0.413141 Li\n0.318431 0.001807 0.087639 Li\n0.181030 0.749080 0.833386 Mn\n0.818908 0.251120 0.167471 Mn\n0.318938 0.750987 0.333848 Mn\n0.681088 0.248797 0.666940 Mn\n0.825437 0.750844 0.161455 Si\n0.674377 0.749033 0.661296 Si\n0.325588 0.250820 0.339492 Si\n0.174560 0.249334 0.839306 Si\n0.150133 0.750673 0.157487 O\n0.349688 0.749500 0.657185 O\n0.650306 0.250686 0.343620 O\n0.849926 0.249190 0.843264 O\n0.770016 0.749596 0.807619 O\n0.729983 0.750597 0.307574 O\n0.270105 0.249159 0.693199 O\n0.229984 0.250700 0.193148 O\n0.712094 0.963202 0.092152 O\n0.787991 0.961017 0.591763 O\n0.711884 0.538674 0.091911 O\n0.787567 0.536806 0.592136 O\n0.212232 0.462969 0.408707 O\n0.288024 0.461613 0.908797 O\n0.212164 0.038735 0.408911 O\n0.288067 0.037096 0.908661 O\n",
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"elements": [
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],
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"formula_full": "Li8 Mn4 Si4 O16",
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"updated_at": "2021-11-28T01:38:22.316000Z",
"spacegroup": 62
},
{
"id": "mp-1204117",
"created_at": "2022-09-04T14:48:14.725694Z",
"structure_string": "Be4 H48 C16 S8 Br8\n1.0\n10.106734 0.000000 0.000000\n0.000000 10.291594 0.000000\n0.000000 0.000000 10.826105\nBe H C S Br\n4 48 16 8 8\ndirect\n0.800274 0.500000 0.250000 Be\n0.699726 0.000000 0.750000 Be\n0.199726 0.500000 0.750000 Be\n0.300274 0.000000 0.250000 Be\n0.055151 0.766065 0.420052 H\n0.444849 0.733935 0.920052 H\n0.444849 0.266065 0.579948 H\n0.055151 0.233935 0.079948 H\n0.944849 0.233935 0.579948 H\n0.555151 0.266065 0.079948 H\n0.555151 0.733935 0.420052 H\n0.944849 0.766065 0.920052 H\n0.910103 0.678787 0.471023 H\n0.589897 0.821213 0.971023 H\n0.589897 0.178787 0.528977 H\n0.910103 0.321213 0.028977 H\n0.089897 0.321213 0.528977 H\n0.410103 0.178787 0.028977 H\n0.410103 0.821213 0.471023 H\n0.089897 0.678787 0.971023 H\n0.059898 0.592654 0.434104 H\n0.440102 0.907346 0.934104 H\n0.440102 0.092654 0.565896 H\n0.059898 0.407346 0.065896 H\n0.940102 0.407346 0.565896 H\n0.559898 0.092654 0.065896 H\n0.559898 0.907346 0.434104 H\n0.940102 0.592654 0.934104 H\n0.776285 0.816580 0.309799 H\n0.723715 0.683420 0.809799 H\n0.723715 0.316580 0.690201 H\n0.776285 0.183420 0.190201 H\n0.223715 0.183420 0.690201 H\n0.276285 0.316580 0.190201 H\n0.276285 0.683420 0.309799 H\n0.223715 0.816580 0.809799 H\n0.795676 0.799356 0.145151 H\n0.704324 0.700644 0.645151 H\n0.704324 0.299356 0.854849 H\n0.795676 0.200644 0.354849 H\n0.204324 0.200644 0.854849 H\n0.295676 0.299356 0.354849 H\n0.295676 0.700644 0.145151 H\n0.204324 0.799356 0.645151 H\n0.916094 0.888964 0.231873 H\n0.583906 0.611036 0.731873 H\n0.583906 0.388964 0.768127 H\n0.916094 0.111036 0.268127 H\n0.083906 0.111036 0.768127 H\n0.416094 0.388964 0.268127 H\n0.416094 0.611036 0.231873 H\n0.083906 0.888964 0.731873 H\n0.997286 0.676302 0.410805 C\n0.502714 0.823698 0.910805 C\n0.502714 0.176302 0.589195 C\n0.997286 0.323698 0.089195 C\n0.002714 0.323698 0.589195 C\n0.497286 0.176302 0.089195 C\n0.497286 0.823698 0.410805 C\n0.002714 0.676302 0.910805 C\n0.847315 0.806420 0.233720 C\n0.652685 0.693580 0.733720 C\n0.652685 0.306420 0.766280 C\n0.847315 0.193580 0.266280 C\n0.152685 0.193580 0.766280 C\n0.347315 0.306420 0.266280 C\n0.347315 0.693580 0.233720 C\n0.152685 0.806420 0.733720 C\n0.943027 0.659611 0.252507 S\n0.556973 0.840389 0.752507 S\n0.556973 0.159611 0.747493 S\n0.943027 0.340389 0.247493 S\n0.056973 0.340389 0.747493 S\n0.443027 0.159611 0.247493 S\n0.443027 0.840389 0.252507 S\n0.056973 0.659611 0.752507 S\n0.690561 0.516100 0.082387 Br\n0.809439 0.983900 0.582387 Br\n0.809439 0.016100 0.917613 Br\n0.690561 0.483900 0.417613 Br\n0.309439 0.483900 0.917613 Br\n0.190561 0.016100 0.417613 Br\n0.190561 0.983900 0.082387 Br\n0.309439 0.516100 0.582387 Br\n",
"nsites": 84,
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"elements": [
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"H",
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],
"chemical_system": "Be-Br-C-H-S",
"density": 1.7287882365010696,
"density_atomic": 0.07459566165390413,
"volume": 1126.070848325315,
"volume_molar": 8.073044231366259,
"formula_full": "Be4 H48 C16 S8 Br8",
"formula_reduced": "BeH12C4(SBr)2",
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"updated_at": "2021-11-28T01:38:38.076000Z",
"spacegroup": 60
},
{
"id": "mp-549058",
"created_at": "2022-09-04T14:39:29.291829Z",
"structure_string": "Ba4 Fe4 Se4 O2 F4\n1.0\n4.180273 0.000324 -0.850110\n-0.173291 4.176519 -0.850285\n3.892541 4.058544 19.137466\nBa Fe Se O F\n4 4 4 2 4\ndirect\n0.999987 0.999987 0.329744 Ba\n0.499987 0.499987 0.829744 Ba\n0.500013 0.500013 0.170256 Ba\n0.000013 0.000013 0.670256 Ba\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.499776 0.499780 0.409556 Se\n0.999776 0.999780 0.909556 Se\n0.000224 0.000221 0.090444 Se\n0.500224 0.500221 0.590444 Se\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.999995 0.500002 0.250006 F\n0.499995 0.000002 0.750006 F\n0.500005 0.999998 0.249994 F\n0.000005 0.499998 0.749994 F\n",
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"elements": [
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"density": 5.473996335153289,
"density_atomic": 0.04959156316579703,
"volume": 362.96496522647385,
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"formula_full": "Ba4 Fe4 Se4 O2 F4",
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"updated_at": "2021-11-28T01:34:34.220000Z",
"spacegroup": 139
},
{
"id": "mp-1518845",
"created_at": "2022-09-04T14:48:18.934873Z",
"structure_string": "K1 Sr1 Zr1 Bi1 O6\n1.0\n0.000000 -4.213853 -4.213853\n4.213853 0.000000 -4.213853\n4.213853 -4.213853 0.000000\nK Sr Zr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Bi\n0.748800 0.251200 0.251200 O\n0.251200 0.748800 0.748800 O\n0.748800 0.251200 0.748800 O\n0.251200 0.748800 0.251200 O\n0.748800 0.748800 0.251200 O\n0.251200 0.251200 0.748800 O\n",
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],
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"volume": 149.6470428582836,
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"formula_full": "K1 Sr1 Zr1 Bi1 O6",
"formula_reduced": "KSrZrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.7059017,
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"updated_at": "2021-11-28T01:38:48.933000Z",
"spacegroup": 216
},
{
"id": "mp-675209",
"created_at": "2022-09-04T14:47:46.614092Z",
"structure_string": "Dy4 Pb2 S8\n1.0\n-4.271017 4.271017 4.258918\n4.271017 -4.271017 4.258918\n4.271017 4.271017 -4.258918\nDy Pb S\n4 2 8\ndirect\n0.996462 0.375000 0.121462 Dy\n0.625000 0.746462 0.621462 Dy\n0.253538 0.875000 0.878538 Dy\n0.125000 0.003538 0.378538 Dy\n0.750000 0.250000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.505986 0.106501 0.745294 S\n0.010692 0.111207 0.754706 S\n0.356501 0.255986 0.245294 S\n0.239308 0.494014 0.600515 S\n0.888793 0.643499 0.899485 S\n0.361207 0.760692 0.254706 S\n0.893499 0.638793 0.399485 S\n0.744014 0.989308 0.100515 S\n",
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"elements": [
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{
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"structure_string": "Nb6 I16\n1.0\n15.082091 -3.854081 0.000000\n15.082091 3.854081 0.000000\n14.097218 0.000000 6.602412\nNb I\n6 16\ndirect\n0.153320 0.546602 0.546602 Nb\n0.846680 0.453398 0.453398 Nb\n0.546602 0.153320 0.546602 Nb\n0.453398 0.453398 0.846680 Nb\n0.453398 0.846680 0.453398 Nb\n0.546602 0.546602 0.153320 Nb\n0.211595 0.706981 0.706981 I\n0.115999 0.115999 0.623662 I\n0.376338 0.884001 0.884001 I\n0.884001 0.376338 0.884001 I\n0.367664 0.367664 0.367664 I\n0.788405 0.293019 0.293019 I\n0.293019 0.293019 0.788405 I\n0.632336 0.632336 0.632336 I\n0.623662 0.115999 0.115999 I\n0.115999 0.623662 0.115999 I\n0.293019 0.788405 0.293019 I\n0.884001 0.884001 0.376338 I\n0.706981 0.211595 0.706981 I\n0.706981 0.706981 0.211595 I\n0.781427 0.781427 0.781427 I\n0.218573 0.218573 0.218573 I\n",
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{
"id": "mp-1033567",
"created_at": "2022-09-04T14:48:18.357847Z",
"structure_string": "Rb1 Mg6 Sb1 O8\n1.0\n9.021734 0.000000 -0.000000\n0.000000 4.648952 0.000000\n0.000000 0.000000 4.648952\nRb Mg Sb O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.271029 0.000000 0.500000 Mg\n0.728971 -0.000000 0.500000 Mg\n0.271029 0.500000 0.000000 Mg\n0.728971 0.500000 -0.000000 Mg\n0.000000 0.500000 0.500000 Sb\n0.284040 0.000000 0.000000 O\n0.715960 0.000000 -0.000000 O\n0.265489 0.500000 0.500000 O\n0.734511 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
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"density_atomic": 0.0820577945385421,
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"formula_full": "Rb1 Mg6 Sb1 O8",
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{
"id": "mp-1098704",
"created_at": "2022-09-04T14:48:17.965753Z",
"structure_string": "Ce6 Se12\n1.0\n8.203016 -13.482327 0.000000\n8.203016 13.482327 0.000000\n-13.956292 0.000000 7.367804\nCe Se\n6 12\ndirect\n0.179893 0.750000 0.320107 Ce\n0.320107 0.179893 0.750000 Ce\n0.750000 0.320107 0.179893 Ce\n0.820107 0.250000 0.679893 Ce\n0.679893 0.820107 0.250000 Ce\n0.250000 0.679893 0.820107 Ce\n0.000000 0.500000 0.500000 Se\n0.500000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n0.500000 0.000000 0.000000 Se\n0.000000 0.500000 0.000000 Se\n0.996390 0.503610 0.250000 Se\n0.250000 0.996390 0.503610 Se\n0.503610 0.250000 0.996390 Se\n0.750000 0.003610 0.496390 Se\n0.496390 0.750000 0.003610 Se\n0.003610 0.496390 0.750000 Se\n",
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"formula_full": "Ce6 Se12",
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{
"id": "mp-7621",
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"structure_string": "K2 Tc2 O8\n1.0\n-2.894506 2.894506 6.548378\n2.894506 -2.894506 6.548378\n2.894506 2.894506 -6.548378\nK Tc O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 K\n0.250000 0.750000 0.500000 K\n0.000000 0.000000 0.000000 Tc\n0.750000 0.250000 0.500000 Tc\n0.703442 0.036344 0.891343 O\n0.786344 0.395000 0.832902 O\n0.562099 0.953442 0.167098 O\n0.145000 0.812099 0.108657 O\n0.605000 0.437901 0.391343 O\n0.187901 0.296558 0.332902 O\n0.963656 0.855000 0.667098 O\n0.046558 0.213656 0.608657 O\n",
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{
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},
{
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{
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}
]
}