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{
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{
"id": "mp-1202031",
"created_at": "2022-09-04T14:46:24.494191Z",
"structure_string": "Cs4 Mn4 H16 Cl12 O8\n1.0\n7.383778 0.000000 0.000000\n0.000000 9.138663 0.000000\n0.000000 0.000000 11.599852\nCs Mn H Cl O\n4 4 16 12 8\ndirect\n0.000000 0.750000 0.646182 Cs\n0.000000 0.250000 0.853818 Cs\n0.000000 0.250000 0.353818 Cs\n0.000000 0.750000 0.146182 Cs\n0.532151 0.500000 0.750000 Mn\n0.467849 0.000000 0.750000 Mn\n0.467849 0.500000 0.250000 Mn\n0.532151 0.000000 0.250000 Mn\n0.307766 0.522387 0.947882 H\n0.692234 0.977613 0.947882 H\n0.692234 0.022387 0.552118 H\n0.307766 0.477613 0.552118 H\n0.692234 0.477613 0.052118 H\n0.307766 0.022387 0.052118 H\n0.307766 0.977613 0.447882 H\n0.692234 0.522387 0.447882 H\n0.299846 0.676441 0.884600 H\n0.700154 0.823559 0.884600 H\n0.700154 0.176441 0.615400 H\n0.299846 0.323559 0.615400 H\n0.700154 0.323559 0.115400 H\n0.299846 0.176441 0.115400 H\n0.299846 0.823559 0.384600 H\n0.700154 0.676441 0.384600 H\n0.500000 0.750000 0.650510 Cl\n0.500000 0.250000 0.849490 Cl\n0.500000 0.250000 0.349490 Cl\n0.500000 0.750000 0.150510 Cl\n0.777634 0.589436 0.890818 Cl\n0.222366 0.910564 0.890818 Cl\n0.222366 0.089436 0.609182 Cl\n0.777634 0.410564 0.609182 Cl\n0.222366 0.410564 0.109182 Cl\n0.777634 0.089436 0.109182 Cl\n0.777634 0.910564 0.390818 Cl\n0.222366 0.589436 0.390818 Cl\n0.314736 0.569842 0.871199 O\n0.685264 0.930158 0.871199 O\n0.685264 0.069842 0.628801 O\n0.314736 0.430158 0.628801 O\n0.685264 0.430158 0.128801 O\n0.314736 0.069842 0.128801 O\n0.314736 0.930158 0.371199 O\n0.685264 0.569842 0.371199 O\n",
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{
"id": "mp-1185297",
"created_at": "2022-09-04T14:46:24.502236Z",
"structure_string": "Li1 Ac1 O3\n1.0\n3.919444 0.000000 0.000000\n0.000000 3.919444 0.000000\n0.000000 0.000000 3.919444\nLi Ac O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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"density": 7.775550911967442,
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"volume": 60.21066048006748,
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"formula_full": "Li1 Ac1 O3",
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"spacegroup": 221
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{
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"created_at": "2022-09-04T14:46:24.625377Z",
"structure_string": "Cs2 Li1 Mn1 C6 N6\n1.0\n0.000000 5.365723 5.365723\n5.365723 0.000000 5.365723\n5.365723 5.365723 0.000000\nCs Li Mn C N\n2 1 1 6 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.817463 0.817463 0.182537 C\n0.182537 0.182537 0.817463 C\n0.817463 0.182537 0.817463 C\n0.182537 0.817463 0.182537 C\n0.182537 0.817463 0.817463 C\n0.817463 0.182537 0.182537 C\n0.707725 0.707725 0.292275 N\n0.707725 0.292275 0.707725 N\n0.292275 0.292275 0.707725 N\n0.292275 0.707725 0.292275 N\n0.292275 0.707725 0.707725 N\n0.707725 0.292275 0.292275 N\n",
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"formula_full": "Cs2 Li1 Mn1 C6 N6",
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{
"id": "mp-626260",
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"structure_string": "Sr2 H32 O20\n1.0\n4.376146 4.854009 0.000000\n-4.376146 4.854009 0.000000\n0.000000 1.095832 11.356968\nSr H O\n2 32 20\ndirect\n0.974729 0.998009 0.746506 Sr\n0.998009 0.974729 0.246506 Sr\n0.745738 0.613627 0.662057 H\n0.877798 0.697095 0.550934 H\n0.087090 0.422080 0.652247 H\n0.131302 0.317480 0.532188 H\n0.362776 0.973197 0.615890 H\n0.385480 0.720452 0.642068 H\n0.591011 0.037370 0.653034 H\n0.593818 0.291354 0.640935 H\n0.037370 0.591011 0.153034 H\n0.291354 0.593818 0.140935 H\n0.720452 0.385480 0.142068 H\n0.973197 0.362776 0.115890 H\n0.613627 0.745738 0.162057 H\n0.697095 0.877798 0.050934 H\n0.422080 0.087090 0.152247 H\n0.317480 0.131302 0.032188 H\n0.314989 0.415925 0.318733 H\n0.982255 0.288837 0.389636 H\n0.978221 0.549767 0.389398 H\n0.734006 0.652130 0.376437 H\n0.624117 0.277030 0.351882 H\n0.698797 0.143895 0.465898 H\n0.376210 0.717806 0.351112 H\n0.309139 0.860897 0.454245 H\n0.717806 0.376210 0.851112 H\n0.860897 0.309139 0.954245 H\n0.277030 0.624117 0.851882 H\n0.143895 0.698797 0.965898 H\n0.288837 0.982255 0.889636 H\n0.415925 0.314989 0.818733 H\n0.652130 0.734006 0.876437 H\n0.549767 0.978221 0.889398 H\n0.519610 0.503122 0.680003 O\n0.503122 0.519610 0.180003 O\n0.456534 0.474534 0.307907 O\n0.474534 0.456534 0.807907 O\n0.871017 0.689719 0.638684 O\n0.134195 0.286982 0.620632 O\n0.292430 0.849159 0.614753 O\n0.668634 0.146671 0.617465 O\n0.146671 0.668634 0.117465 O\n0.849159 0.292430 0.114753 O\n0.689719 0.871017 0.138684 O\n0.286982 0.134195 0.120632 O\n0.099978 0.371602 0.390846 O\n0.868694 0.693818 0.391172 O\n0.731821 0.168939 0.379560 O\n0.316453 0.858998 0.367575 O\n0.858998 0.316453 0.867575 O\n0.168939 0.731821 0.879560 O\n0.371602 0.099978 0.890846 O\n0.693818 0.868694 0.891172 O\n",
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"elements": [
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"volume": 482.48606842386573,
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"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
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"updated_at": "2021-11-28T01:37:33.552000Z",
"spacegroup": 9
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{
"id": "mp-1212986",
"created_at": "2022-09-04T14:46:24.520968Z",
"structure_string": "Eu6 Mo2 O14\n1.0\n3.734435 -5.475706 0.000000\n3.734435 5.475706 0.000000\n0.000000 0.000000 7.676616\nEu Mo O\n6 2 14\ndirect\n0.063025 0.523729 0.250000 Eu\n0.936975 0.476271 0.750000 Eu\n0.523729 0.063025 0.250000 Eu\n0.476271 0.936975 0.750000 Eu\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.437410 0.437410 0.250000 O\n0.562590 0.562590 0.750000 O\n0.893144 0.156953 0.250000 O\n0.106856 0.843047 0.750000 O\n0.156953 0.893144 0.250000 O\n0.843047 0.106856 0.750000 O\n0.804714 0.557454 0.034908 O\n0.195286 0.442546 0.965092 O\n0.195286 0.442546 0.534908 O\n0.557454 0.804714 0.465092 O\n0.804714 0.557454 0.465092 O\n0.442546 0.195286 0.534908 O\n0.442546 0.195286 0.965092 O\n0.557454 0.804714 0.034908 O\n",
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{
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"structure_string": "Er12 In2 Co4\n1.0\n-4.643947 4.742206 4.939891\n4.643947 -4.742206 4.939891\n4.643947 4.742206 -4.939891\nEr In Co\n12 2 4\ndirect\n0.187305 0.288170 0.475475 Er\n0.812695 0.711830 0.524525 Er\n0.187305 0.711830 0.899135 Er\n0.812695 0.288170 0.100865 Er\n0.315359 0.618856 0.303497 Er\n0.684641 0.381144 0.696503 Er\n0.315359 0.011862 0.696503 Er\n0.684641 0.988138 0.303497 Er\n0.442781 0.231721 0.211060 Er\n0.557219 0.768279 0.788940 Er\n0.020661 0.231721 0.788940 Er\n0.979339 0.768279 0.211060 Er\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.112789 0.612789 0.500000 Co\n0.887211 0.387211 0.500000 Co\n0.376175 0.000000 0.376175 Co\n0.623825 0.000000 0.623825 Co\n",
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{
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{
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{
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"structure_string": "Li1 Zr2 Ru1\n1.0\n-5.240927 5.627969 7.904926\n5.240927 -5.627969 7.904926\n5.240927 5.627969 -7.904926\nLi Zr Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.288173 0.288173 Zr\n0.000000 0.711827 0.711827 Zr\n0.000000 0.500000 0.500000 Ru\n",
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}