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{
"id": "mp-1199946",
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"structure_string": "Ba8 Fe4 Sb4 S20\n1.0\n8.913288 0.000000 0.000000\n0.000000 9.048857 0.000000\n0.000000 0.000000 12.214810\nBa Fe Sb S\n8 4 4 20\ndirect\n0.007336 0.122319 0.823576 Ba\n0.492664 0.377681 0.323576 Ba\n0.507336 0.877681 0.176424 Ba\n0.992664 0.622319 0.676424 Ba\n0.992664 0.877681 0.176424 Ba\n0.507336 0.622319 0.676424 Ba\n0.492664 0.122319 0.823576 Ba\n0.007336 0.377681 0.323576 Ba\n0.250000 0.327293 0.594915 Fe\n0.250000 0.172707 0.094915 Fe\n0.750000 0.672707 0.405085 Fe\n0.750000 0.827293 0.905085 Fe\n0.250000 0.983481 0.522321 Sb\n0.250000 0.516519 0.022321 Sb\n0.750000 0.016519 0.477679 Sb\n0.750000 0.483481 0.977679 Sb\n0.049903 0.179234 0.554475 S\n0.450097 0.320766 0.054475 S\n0.549903 0.820766 0.445525 S\n0.950097 0.679234 0.945525 S\n0.950097 0.820766 0.445525 S\n0.549903 0.679234 0.945525 S\n0.450097 0.179234 0.554475 S\n0.049903 0.320766 0.054475 S\n0.250000 0.884026 0.709757 S\n0.250000 0.615974 0.209757 S\n0.750000 0.115974 0.290243 S\n0.750000 0.384026 0.790243 S\n0.250000 0.385277 0.772382 S\n0.250000 0.114723 0.272382 S\n0.750000 0.614723 0.227618 S\n0.750000 0.885277 0.727618 S\n0.250000 0.969990 0.994259 S\n0.250000 0.530010 0.494259 S\n0.750000 0.030010 0.005741 S\n0.750000 0.469990 0.505741 S\n",
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},
{
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"formula_full": "Cs2 Mo2 O4 F6",
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"spacegroup": 74
},
{
"id": "mp-27662",
"created_at": "2022-09-04T14:45:09.827758Z",
"structure_string": "Cs4 I8 Br4\n1.0\n6.972110 0.000000 0.000000\n0.000000 10.087833 0.000000\n0.000000 0.000000 11.045498\nCs I Br\n4 8 4\ndirect\n0.250000 0.049516 0.667228 Cs\n0.750000 0.950484 0.332772 Cs\n0.750000 0.549516 0.832772 Cs\n0.250000 0.450484 0.167228 Cs\n0.250000 0.552537 0.632289 I\n0.750000 0.447463 0.367711 I\n0.750000 0.052537 0.867711 I\n0.250000 0.947463 0.132289 I\n0.250000 0.731065 0.430748 I\n0.750000 0.268935 0.569252 I\n0.750000 0.231065 0.069252 I\n0.250000 0.768935 0.930748 I\n0.250000 0.126776 0.332650 Br\n0.750000 0.873224 0.667350 Br\n0.750000 0.626776 0.167350 Br\n0.250000 0.373224 0.832650 Br\n",
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],
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"formula_full": "Cs4 I8 Br4",
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"spacegroup": 62
},
{
"id": "mp-1199872",
"created_at": "2022-09-04T14:45:06.927092Z",
"structure_string": "Pr22 Hg90\n1.0\n0.000000 11.224731 11.224731\n11.224731 0.000000 11.224731\n11.224731 11.224731 0.000000\nPr Hg\n22 90\ndirect\n0.000000 0.000000 0.000000 Pr\n0.015977 0.329027 0.639019 Pr\n0.015977 0.015977 0.639019 Pr\n0.329027 0.015977 0.639019 Pr\n0.015977 0.639019 0.329027 Pr\n0.329027 0.639019 0.015977 Pr\n0.015977 0.639019 0.015977 Pr\n0.639019 0.015977 0.015977 Pr\n0.639019 0.329027 0.015977 Pr\n0.639019 0.015977 0.329027 Pr\n0.329027 0.015977 0.015977 Pr\n0.015977 0.015977 0.329027 Pr\n0.015977 0.329027 0.015977 Pr\n0.250000 0.250000 0.250000 Pr\n0.405776 0.405776 0.782671 Pr\n0.405776 0.782671 0.405776 Pr\n0.782671 0.405776 0.405776 Pr\n0.405776 0.405776 0.405776 Pr\n0.661616 0.661616 0.015151 Pr\n0.661616 0.015151 0.661616 Pr\n0.015151 0.661616 0.661616 Pr\n0.661616 0.661616 0.661616 Pr\n0.082900 0.082900 0.751301 Hg\n0.082900 0.751301 0.082900 Hg\n0.751301 0.082900 0.082900 Hg\n0.082900 0.082900 0.082900 Hg\n0.914577 0.914577 0.256268 Hg\n0.914577 0.256268 0.914577 Hg\n0.256268 0.914577 0.914577 Hg\n0.914577 0.914577 0.914577 Hg\n0.153617 0.153617 0.846383 Hg\n0.846383 0.153617 0.846383 Hg\n0.153617 0.846383 0.846383 Hg\n0.846383 0.846383 0.153617 Hg\n0.153617 0.846383 0.153617 Hg\n0.846383 0.153617 0.153617 Hg\n0.391761 0.199746 0.016732 Hg\n0.391761 0.391761 0.016732 Hg\n0.199746 0.391761 0.016732 Hg\n0.391761 0.016732 0.199746 Hg\n0.199746 0.016732 0.391761 Hg\n0.391761 0.016732 0.391761 Hg\n0.016732 0.391761 0.391761 Hg\n0.016732 0.199746 0.391761 Hg\n0.016732 0.391761 0.199746 Hg\n0.199746 0.391761 0.391761 Hg\n0.391761 0.391761 0.199746 Hg\n0.391761 0.199746 0.391761 Hg\n0.162481 0.162481 0.512556 Hg\n0.162481 0.512556 0.162481 Hg\n0.512556 0.162481 0.162481 Hg\n0.162481 0.162481 0.162481 Hg\n0.258368 0.615171 0.868094 Hg\n0.258368 0.258368 0.868094 Hg\n0.615171 0.258368 0.868094 Hg\n0.258368 0.868094 0.615171 Hg\n0.615171 0.868094 0.258368 Hg\n0.258368 0.868094 0.258368 Hg\n0.868094 0.258368 0.258368 Hg\n0.868094 0.615171 0.258368 Hg\n0.868094 0.258368 0.615171 Hg\n0.615171 0.258368 0.258368 Hg\n0.258368 0.258368 0.615171 Hg\n0.258368 0.615171 0.258368 Hg\n0.500000 0.500000 0.500000 Hg\n0.642046 0.449766 0.266142 Hg\n0.642046 0.642046 0.266142 Hg\n0.449766 0.642046 0.266142 Hg\n0.642046 0.266142 0.449766 Hg\n0.449766 0.266142 0.642046 Hg\n0.642046 0.266142 0.642046 Hg\n0.266142 0.642046 0.642046 Hg\n0.266142 0.449766 0.642046 Hg\n0.266142 0.642046 0.449766 Hg\n0.449766 0.642046 0.642046 Hg\n0.642046 0.642046 0.449766 Hg\n0.642046 0.449766 0.642046 Hg\n0.511767 0.837254 0.139213 Hg\n0.511767 0.511767 0.139213 Hg\n0.837254 0.511767 0.139213 Hg\n0.511767 0.139213 0.837254 Hg\n0.837254 0.139213 0.511767 Hg\n0.511767 0.139213 0.511767 Hg\n0.139213 0.511767 0.511767 Hg\n0.139213 0.837254 0.511767 Hg\n0.139213 0.511767 0.837254 Hg\n0.837254 0.511767 0.511767 Hg\n0.511767 0.511767 0.837254 Hg\n0.511767 0.837254 0.511767 Hg\n0.750000 0.750000 0.750000 Hg\n0.827861 0.827861 0.516417 Hg\n0.827861 0.516417 0.827861 Hg\n0.516417 0.827861 0.827861 Hg\n0.827861 0.827861 0.827861 Hg\n0.911512 0.911512 0.588488 Hg\n0.588488 0.911512 0.588488 Hg\n0.911512 0.588488 0.588488 Hg\n0.588488 0.588488 0.911512 Hg\n0.911512 0.588488 0.911512 Hg\n0.588488 0.911512 0.911512 Hg\n0.764603 0.066151 0.404644 Hg\n0.764603 0.764603 0.404644 Hg\n0.066151 0.764603 0.404644 Hg\n0.764603 0.404644 0.066151 Hg\n0.066151 0.404644 0.764603 Hg\n0.764603 0.404644 0.764603 Hg\n0.404644 0.764603 0.764603 Hg\n0.404644 0.066151 0.764603 Hg\n0.404644 0.764603 0.066151 Hg\n0.066151 0.764603 0.764603 Hg\n0.764603 0.764603 0.066151 Hg\n0.764603 0.066151 0.764603 Hg\n",
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"elements": [
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"density": 12.4183714946937,
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"volume": 2828.5106711147246,
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"formula_full": "Pr22 Hg90",
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"spacegroup": 216
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{
"id": "mp-1104703",
"created_at": "2022-09-04T14:45:07.048570Z",
"structure_string": "Sr8 Ni4 Cl4 O12\n1.0\n3.908469 0.000902 0.000000\n0.000902 3.908428 0.000000\n0.000000 0.000002 29.264714\nSr Ni Cl O\n8 4 4 12\ndirect\n0.250000 0.250000 0.452416 Sr\n0.250000 0.250000 0.952406 Sr\n0.750000 0.750000 0.047578 Sr\n0.750000 0.750000 0.547590 Sr\n0.250000 0.250000 0.329569 Sr\n0.250000 0.250000 0.829592 Sr\n0.750000 0.750000 0.170412 Sr\n0.750000 0.750000 0.670455 Sr\n0.750000 0.750001 0.896396 Ni\n0.250000 0.249999 0.103591 Ni\n0.750000 0.750000 0.396428 Ni\n0.250001 0.249999 0.603551 Ni\n0.750000 0.750000 0.289107 Cl\n0.750001 0.750000 0.789124 Cl\n0.250000 0.250001 0.210901 Cl\n0.250000 0.250000 0.710880 Cl\n0.750000 0.750000 0.463274 O\n0.750000 0.750000 0.963282 O\n0.249999 0.249999 0.036687 O\n0.250000 0.250000 0.536741 O\n0.250000 0.750001 0.386298 O\n0.250000 0.750000 0.886313 O\n0.750000 0.250000 0.386294 O\n0.750000 0.250000 0.886315 O\n0.750000 0.250001 0.113711 O\n0.750000 0.250000 0.613689 O\n0.250000 0.749999 0.113708 O\n0.250000 0.750000 0.613693 O\n",
"nsites": 28,
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{
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"created_at": "2022-09-04T14:45:06.970227Z",
"structure_string": "Na8 Al6 Ge6 Cl2 O24\n1.0\n9.141085 0.000000 0.000000\n0.000000 9.141085 0.000000\n0.000000 0.000000 9.141085\nNa Al Ge Cl O\n8 6 6 2 24\ndirect\n0.172836 0.827164 0.827164 Na\n0.327164 0.672836 0.327164 Na\n0.672836 0.327164 0.327164 Na\n0.827164 0.172836 0.827164 Na\n0.327164 0.327164 0.672836 Na\n0.672836 0.672836 0.672836 Na\n0.172836 0.172836 0.172836 Na\n0.827164 0.827164 0.172836 Na\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.750000 0.000000 Al\n0.750000 0.000000 0.500000 Al\n0.500000 0.250000 0.000000 Al\n0.250000 0.000000 0.500000 Al\n0.500000 0.000000 0.750000 Ge\n0.500000 0.000000 0.250000 Ge\n0.750000 0.500000 0.000000 Ge\n0.250000 0.500000 0.000000 Ge\n0.000000 0.250000 0.500000 Ge\n0.000000 0.750000 0.500000 Ge\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.643199 0.926174 0.643565 O\n0.573826 0.143199 0.856435 O\n0.143199 0.856435 0.573826 O\n0.573826 0.856801 0.143565 O\n0.643565 0.356801 0.073826 O\n0.643199 0.073826 0.356435 O\n0.856801 0.856435 0.426174 O\n0.426174 0.856801 0.856435 O\n0.643565 0.643199 0.926174 O\n0.356801 0.926174 0.356435 O\n0.356435 0.643199 0.073826 O\n0.856435 0.573826 0.143199 O\n0.926174 0.356435 0.356801 O\n0.426174 0.143199 0.143565 O\n0.856801 0.143565 0.573826 O\n0.143565 0.426174 0.143199 O\n0.356801 0.073826 0.643565 O\n0.073826 0.356435 0.643199 O\n0.926174 0.643565 0.643199 O\n0.143565 0.573826 0.856801 O\n0.143199 0.143565 0.426174 O\n0.856435 0.426174 0.856801 O\n0.073826 0.643565 0.356801 O\n0.356435 0.356801 0.926174 O\n",
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{
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