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{
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{
"id": "mp-1222025",
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"structure_string": "Mn2 Co4 O8\n1.0\n0.000000 4.271546 4.271546\n4.271546 0.000000 4.271546\n4.271546 4.271546 0.000000\nMn Co O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Mn\n0.625000 0.125000 0.125000 Co\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.125000 0.125000 0.125000 Co\n0.910743 0.363086 0.363086 O\n0.363086 0.910743 0.363086 O\n0.363086 0.363086 0.910743 O\n0.363086 0.363086 0.363086 O\n0.339257 0.886914 0.886914 O\n0.886914 0.339257 0.886914 O\n0.886914 0.886914 0.339257 O\n0.886914 0.886914 0.886914 O\n",
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{
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],
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"formula_full": "Co8 Sb8 C24 O24",
"formula_reduced": "CoSb(CO)3",
"formula_anonymous": "ABC3D3",
"energy": -475.90445067,
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"spacegroup": 141
},
{
"id": "mp-865868",
"created_at": "2022-09-04T14:44:01.004244Z",
"structure_string": "Li1 Zr1 Rh2\n1.0\n0.000000 3.148202 3.148202\n3.148202 0.000000 3.148202\n3.148202 3.148202 0.000000\nLi Zr Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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"formula_full": "Li1 Zr1 Rh2",
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"spacegroup": 225
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{
"id": "mp-28633",
"created_at": "2022-09-04T14:44:01.041833Z",
"structure_string": "Re1 Te2 Cl12\n1.0\n6.764490 0.124149 0.174427\n3.098779 6.109489 2.319279\n0.023577 -0.149407 11.305106\nRe Te Cl\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Re\n0.259785 0.498152 0.757575 Te\n0.740215 0.501848 0.242425 Te\n0.972343 0.724097 0.586710 Cl\n0.027657 0.275903 0.413290 Cl\n0.429527 0.728264 0.702799 Cl\n0.606045 0.216067 0.980400 Cl\n0.393955 0.783933 0.019600 Cl\n0.988927 0.765514 0.197509 Cl\n0.011073 0.234486 0.802491 Cl\n0.945435 0.781837 0.898259 Cl\n0.054565 0.218163 0.101741 Cl\n0.518367 0.735671 0.351163 Cl\n0.481633 0.264329 0.648837 Cl\n0.570473 0.271736 0.297201 Cl\n",
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"chemical_system": "Cl-Re-Te",
"density": 3.0948199869713164,
"density_atomic": 0.032250548706357435,
"volume": 465.10836564598054,
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"formula_full": "Re1 Te2 Cl12",
"formula_reduced": "Re(TeCl6)2",
"formula_anonymous": "AB2C12",
"energy": -57.19575231,
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{
"id": "mp-1080049",
"created_at": "2022-09-04T14:44:01.045443Z",
"structure_string": "Sr2 Zn4 Sn4\n1.0\n4.660547 0.000000 0.000000\n0.000000 4.674563 0.000000\n0.000000 0.132262 11.513125\nSr Zn Sn\n2 4 4\ndirect\n0.250000 0.741726 0.755151 Sr\n0.750000 0.258274 0.244849 Sr\n0.250000 0.743585 0.360745 Zn\n0.750000 0.256415 0.639255 Zn\n0.250000 0.270173 0.000810 Zn\n0.750000 0.729827 0.999190 Zn\n0.250000 0.773894 0.131058 Sn\n0.750000 0.226106 0.868942 Sn\n0.250000 0.243373 0.499763 Sn\n0.750000 0.756627 0.500237 Sn\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.035837580358007,
"density_atomic": 0.03986840586978297,
"volume": 250.82517802847974,
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"formula_full": "Sr2 Zn4 Sn4",
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"formula_anonymous": "AB2C2",
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{
"id": "mp-1113488",
"created_at": "2022-09-04T14:44:04.487234Z",
"structure_string": "Rb2 Mn1 Hg1 F6\n1.0\n6.301278 0.000000 0.000000\n3.150639 5.457067 0.000000\n3.150639 1.819022 5.144972\nRb Mn Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Hg\n0.233060 0.766940 0.233060 F\n0.766940 0.766940 0.233060 F\n0.766940 0.233060 0.766940 F\n0.766940 0.233060 0.233060 F\n0.233060 0.766940 0.766940 F\n0.233060 0.233060 0.766940 F\n",
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"volume": 176.91756028982132,
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"formula_full": "Rb2 Mn1 Hg1 F6",
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{
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"structure_string": "Dy2 Zn17\n1.0\n5.111856 -4.483908 0.000000\n5.111856 4.483908 0.000000\n1.178760 0.000000 6.696792\nDy Zn\n2 17\ndirect\n0.665123 0.665123 0.665123 Dy\n0.334877 0.334877 0.334877 Dy\n0.351860 0.351860 0.838072 Zn\n0.838072 0.351860 0.351860 Zn\n0.099950 0.099950 0.099950 Zn\n0.900050 0.900050 0.900050 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.297486 0.702514 0.000000 Zn\n0.702514 0.000000 0.297486 Zn\n0.000000 0.297486 0.702514 Zn\n0.702514 0.297486 0.000000 Zn\n0.297486 0.000000 0.702514 Zn\n0.000000 0.702514 0.297486 Zn\n0.161928 0.648140 0.648140 Zn\n0.648140 0.648140 0.161928 Zn\n0.648140 0.161928 0.648140 Zn\n0.351860 0.838072 0.351860 Zn\n",
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{
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"structure_string": "Hf4 H24 O12 F16\n1.0\n-6.645683 0.000000 1.180564\n-0.023647 0.000000 -7.707189\n0.000000 -10.718973 0.000000\nHf H O F\n4 24 12 16\ndirect\n0.742067 0.459633 0.545017 Hf\n0.257933 0.040367 0.045017 Hf\n0.257933 0.540367 0.454983 Hf\n0.742067 0.959633 0.954983 Hf\n0.603362 0.390321 0.119063 H\n0.396638 0.109679 0.619063 H\n0.396638 0.609679 0.880937 H\n0.603362 0.890321 0.380937 H\n0.824962 0.384048 0.084129 H\n0.175038 0.115952 0.584129 H\n0.175038 0.615952 0.915871 H\n0.824962 0.884048 0.415871 H\n0.764031 0.347247 0.293041 H\n0.235969 0.152753 0.793041 H\n0.235969 0.652753 0.706959 H\n0.764031 0.847247 0.206959 H\n0.761002 0.166217 0.374595 H\n0.238998 0.333783 0.874595 H\n0.238998 0.833783 0.625405 H\n0.761002 0.666217 0.125405 H\n0.732470 0.568309 0.799061 H\n0.267530 0.931691 0.299061 H\n0.267530 0.431691 0.200939 H\n0.732470 0.068309 0.700939 H\n0.761838 0.365566 0.803485 H\n0.238162 0.134434 0.303485 H\n0.238162 0.634434 0.196515 H\n0.761838 0.865566 0.696515 H\n0.743967 0.442472 0.140663 O\n0.256033 0.057528 0.640663 O\n0.256033 0.557528 0.859337 O\n0.743967 0.942472 0.359337 O\n0.756083 0.295213 0.378174 O\n0.243917 0.204787 0.878174 O\n0.243917 0.704787 0.621826 O\n0.756083 0.795213 0.121826 O\n0.772065 0.471671 0.748885 O\n0.227935 0.028329 0.248885 O\n0.227935 0.528329 0.251115 O\n0.772065 0.971671 0.751115 O\n0.028038 0.392466 0.576330 F\n0.971962 0.107534 0.076330 F\n0.971962 0.607534 0.423670 F\n0.028038 0.892466 0.923670 F\n0.432826 0.442568 0.596694 F\n0.567174 0.057432 0.096694 F\n0.567174 0.557432 0.403306 F\n0.432826 0.942568 0.903306 F\n0.761739 0.715636 0.594780 F\n0.238261 0.784364 0.094780 F\n0.238261 0.284364 0.405220 F\n0.761739 0.215636 0.905220 F\n0.654211 0.201716 0.602307 F\n0.345789 0.298284 0.102307 F\n0.345789 0.798284 0.397693 F\n0.654211 0.701716 0.897693 F\n",
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{
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"structure_string": "Eu6 Al4 As8\n1.0\n5.192959 6.664017 0.000000\n-5.192959 6.664017 0.000000\n0.000000 0.054165 6.769478\nEu Al As\n6 4 8\ndirect\n0.750712 0.006037 0.965516 Eu\n0.993963 0.249288 0.534484 Eu\n0.249288 0.993963 0.034484 Eu\n0.006037 0.750712 0.465516 Eu\n0.598394 0.401606 0.250000 Eu\n0.401606 0.598394 0.750000 Eu\n0.580844 0.829172 0.417001 Al\n0.170828 0.419156 0.082999 Al\n0.419156 0.170828 0.582999 Al\n0.829172 0.580844 0.917001 Al\n0.713274 0.060495 0.473984 As\n0.939505 0.286726 0.026016 As\n0.286726 0.939505 0.526016 As\n0.060495 0.713274 0.973984 As\n0.571311 0.742489 0.068387 As\n0.257511 0.428689 0.431613 As\n0.428689 0.257511 0.931613 As\n0.742489 0.571311 0.568387 As\n",
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{
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{
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{
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]
}