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{
"id": "mp-1032654",
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{
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"structure_string": "Ca4 V8 Cu8 O32\n1.0\n8.787819 0.000000 0.000000\n0.000000 6.612912 0.000000\n0.000000 0.689373 12.341352\nCa V Cu O\n4 8 8 32\ndirect\n0.167193 0.134791 0.036671 Ca\n0.832807 0.865209 0.963329 Ca\n0.667193 0.865209 0.463329 Ca\n0.332807 0.134791 0.536671 Ca\n0.462905 0.092512 0.841045 V\n0.037095 0.092512 0.341045 V\n0.090972 0.605737 0.140983 V\n0.962905 0.907488 0.658955 V\n0.909028 0.394263 0.859017 V\n0.590972 0.394263 0.359017 V\n0.409028 0.605737 0.640983 V\n0.537095 0.907488 0.158955 V\n0.183243 0.761998 0.852048 Cu\n0.052210 0.393770 0.633518 Cu\n0.947790 0.606230 0.366482 Cu\n0.816757 0.238002 0.147952 Cu\n0.316757 0.761998 0.352048 Cu\n0.447790 0.393770 0.133518 Cu\n0.683243 0.238002 0.647952 Cu\n0.552210 0.606230 0.866482 Cu\n0.225091 0.019242 0.377261 O\n0.002814 0.677579 0.603756 O\n0.584618 0.194525 0.457271 O\n0.084618 0.805475 0.042729 O\n0.274909 0.019242 0.877261 O\n0.774909 0.980758 0.622739 O\n0.089208 0.103079 0.612980 O\n0.913048 0.496886 0.133213 O\n0.586952 0.496886 0.633213 O\n0.873278 0.330219 0.721062 O\n0.373278 0.669781 0.778938 O\n0.086952 0.503114 0.866787 O\n0.910792 0.896921 0.387020 O\n0.518536 0.878027 0.299197 O\n0.266780 0.439984 0.604555 O\n0.233220 0.439984 0.104555 O\n0.018536 0.121973 0.200803 O\n0.413048 0.503114 0.366787 O\n0.481464 0.121973 0.700803 O\n0.415382 0.805475 0.542729 O\n0.497186 0.677579 0.103756 O\n0.126722 0.669781 0.278938 O\n0.725091 0.980758 0.122739 O\n0.410792 0.103079 0.112980 O\n0.915382 0.194525 0.957271 O\n0.766780 0.560016 0.895445 O\n0.997186 0.322421 0.396244 O\n0.502814 0.322421 0.896244 O\n0.589208 0.896921 0.887020 O\n0.733220 0.560016 0.395445 O\n0.626722 0.330219 0.221062 O\n0.981464 0.878027 0.799197 O\n",
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"spacegroup": 14
},
{
"id": "mp-1058119",
"created_at": "2022-09-04T14:40:37.696675Z",
"structure_string": "K1 S1\n1.0\n0.000000 3.255507 3.255507\n3.255507 0.000000 3.255507\n3.255507 3.255507 0.000000\nK S\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 S\n",
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{
"id": "mp-757456",
"created_at": "2022-09-04T14:40:37.724636Z",
"structure_string": "Li8 Fe2 P12 O36\n1.0\n3.893298 6.252916 0.000000\n-3.893298 6.252916 0.000000\n0.000000 0.881278 13.931527\nLi Fe P O\n8 2 12 36\ndirect\n0.960474 0.701248 0.922740 Li\n0.701248 0.960474 0.422740 Li\n0.784210 0.556084 0.546966 Li\n0.556084 0.784210 0.046966 Li\n0.443916 0.215790 0.953034 Li\n0.215790 0.443916 0.453034 Li\n0.298752 0.039526 0.577260 Li\n0.039526 0.298752 0.077260 Li\n0.373686 0.626314 0.750000 Fe\n0.626314 0.373686 0.250000 Fe\n0.964566 0.851664 0.614208 P\n0.851664 0.964566 0.114208 P\n0.630208 0.906622 0.750773 P\n0.906622 0.630208 0.250773 P\n0.769725 0.400172 0.889199 P\n0.400172 0.769725 0.389199 P\n0.599828 0.230275 0.610801 P\n0.230275 0.599828 0.110801 P\n0.093378 0.369792 0.749227 P\n0.369792 0.093378 0.249227 P\n0.148336 0.035434 0.885792 P\n0.035434 0.148336 0.385792 P\n0.865737 0.814252 0.714421 O\n0.916172 0.752666 0.534308 O\n0.814252 0.865737 0.214421 O\n0.752666 0.916172 0.034308 O\n0.630129 0.901483 0.857484 O\n0.901483 0.630129 0.357485 O\n0.811413 0.503942 0.969475 O\n0.523347 0.811301 0.697275 O\n0.859972 0.449557 0.788331 O\n0.503942 0.811413 0.469475 O\n0.811301 0.523347 0.197275 O\n0.449557 0.859972 0.288331 O\n0.903944 0.156907 0.900649 O\n0.191699 0.821312 0.866593 O\n0.557894 0.433368 0.870756 O\n0.156907 0.903944 0.400649 O\n0.566632 0.442106 0.629244 O\n0.821312 0.191699 0.366593 O\n0.178688 0.808301 0.633407 O\n0.433368 0.557894 0.370756 O\n0.843093 0.096056 0.599351 O\n0.442106 0.566632 0.129244 O\n0.808301 0.178688 0.133407 O\n0.096056 0.843093 0.099351 O\n0.550443 0.140028 0.711669 O\n0.188699 0.476653 0.802725 O\n0.496058 0.188587 0.530525 O\n0.140028 0.550443 0.211669 O\n0.476653 0.188699 0.302725 O\n0.188587 0.496058 0.030525 O\n0.098517 0.369871 0.642516 O\n0.369871 0.098517 0.142516 O\n0.247334 0.083828 0.965692 O\n0.185748 0.134263 0.785579 O\n0.083828 0.247334 0.465692 O\n0.134263 0.185748 0.285579 O\n",
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],
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"formula_full": "Li8 Fe2 P12 O36",
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{
"id": "mp-865032",
"created_at": "2022-09-04T14:40:37.745297Z",
"structure_string": "Mn2 Pt1 Rh1\n1.0\n0.000000 3.087901 3.087901\n3.087901 0.000000 3.087901\n3.087901 3.087901 0.000000\nMn Pt Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "mp-1179195",
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"structure_string": "Si20 O30\n1.0\n4.534758 10.037550 0.000000\n-4.534758 10.037550 0.000000\n0.000000 9.358833 10.924539\nSi O\n20 30\ndirect\n0.280001 0.731550 0.633949 Si\n0.268450 0.719999 0.866051 Si\n0.719999 0.268450 0.366051 Si\n0.731550 0.280001 0.133949 Si\n0.902064 0.766340 0.781136 Si\n0.233660 0.097936 0.718864 Si\n0.097936 0.233660 0.218864 Si\n0.766340 0.902064 0.281136 Si\n0.630529 0.165361 0.728257 Si\n0.834639 0.369471 0.771743 Si\n0.369471 0.834639 0.271743 Si\n0.165361 0.630529 0.228257 Si\n0.626254 0.153669 0.956087 Si\n0.846331 0.373746 0.543913 Si\n0.373746 0.846331 0.043913 Si\n0.153669 0.626254 0.456087 Si\n0.893972 0.750066 0.013399 Si\n0.249934 0.106028 0.486601 Si\n0.106028 0.249934 0.986601 Si\n0.750066 0.893972 0.513399 Si\n0.088380 0.758290 0.680896 O\n0.241710 0.911620 0.819104 O\n0.911620 0.241710 0.319104 O\n0.758290 0.088380 0.180896 O\n0.750299 0.961490 0.737158 O\n0.038510 0.249701 0.762842 O\n0.249701 0.038510 0.262842 O\n0.961490 0.750299 0.237158 O\n0.745666 0.263339 0.615193 O\n0.736661 0.254334 0.884807 O\n0.254334 0.736661 0.384807 O\n0.263339 0.745666 0.115193 O\n0.752384 0.947776 0.015007 O\n0.052224 0.247616 0.484993 O\n0.247616 0.052224 0.984993 O\n0.947776 0.752384 0.515007 O\n0.280058 0.914673 0.530123 O\n0.085327 0.719942 0.969877 O\n0.719942 0.085327 0.469877 O\n0.914673 0.280058 0.030123 O\n0.318370 0.681630 0.750000 O\n0.681630 0.318370 0.250000 O\n0.887305 0.717010 0.919006 O\n0.282990 0.112695 0.580994 O\n0.112695 0.282990 0.080994 O\n0.717010 0.887305 0.419006 O\n0.572352 0.179439 0.858011 O\n0.820561 0.427648 0.641989 O\n0.427648 0.820561 0.141989 O\n0.179439 0.572352 0.358011 O\n",
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{
"id": "mp-1100381",
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"structure_string": "Ca16 Sn16 S48\n1.0\n-8.023430 8.023430 7.932780\n8.023430 -8.023430 7.932780\n8.023430 8.023430 -7.932780\nCa Sn S\n16 16 48\ndirect\n0.874905 0.993878 0.632303 Ca\n0.361575 0.242602 0.367697 Ca\n0.243878 0.111575 0.618973 Ca\n0.492602 0.624905 0.381027 Ca\n0.375095 0.756122 0.867697 Ca\n0.888425 0.507398 0.132303 Ca\n0.006122 0.638425 0.881027 Ca\n0.757398 0.125095 0.118973 Ca\n0.755688 0.755688 0.000000 Ca\n0.005688 0.505688 0.500000 Ca\n0.494312 0.994312 0.500000 Ca\n0.244312 0.244312 0.000000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.875000 0.250000 Ca\n0.125000 0.875000 0.750000 Ca\n0.125000 0.375000 0.250000 Ca\n0.125000 0.375000 0.750000 Sn\n0.625000 0.375000 0.250000 Sn\n0.625000 0.375000 0.750000 Sn\n0.625000 0.875000 0.250000 Sn\n0.000000 0.000000 0.000000 Sn\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.383687 0.497014 0.632631 Sn\n0.864384 0.751056 0.367369 Sn\n0.747014 0.614384 0.613327 Sn\n0.001056 0.133687 0.386673 Sn\n0.866313 0.252986 0.867369 Sn\n0.385616 0.998944 0.132631 Sn\n0.502986 0.135616 0.886673 Sn\n0.248944 0.616313 0.113327 Sn\n0.531099 0.691336 0.795206 S\n0.896130 0.735893 0.204794 S\n0.941336 0.646130 0.660237 S\n0.985893 0.281099 0.339763 S\n0.718901 0.058664 0.704794 S\n0.353870 0.014107 0.295206 S\n0.308664 0.103870 0.839763 S\n0.264107 0.468901 0.160237 S\n0.212223 0.488126 0.656332 S\n0.831794 0.555891 0.343668 S\n0.738126 0.581794 0.775903 S\n0.805891 0.962223 0.224097 S\n0.037777 0.261874 0.843668 S\n0.418206 0.194109 0.156332 S\n0.511874 0.168206 0.724097 S\n0.444109 0.787777 0.275903 S\n0.413817 0.330180 0.626178 S\n0.704002 0.787639 0.373822 S\n0.580180 0.454002 0.416363 S\n0.037639 0.163817 0.583637 S\n0.836183 0.419820 0.873822 S\n0.545998 0.962361 0.126178 S\n0.669820 0.295998 0.083637 S\n0.212361 0.586183 0.916363 S\n0.347801 0.461366 0.440215 S\n0.021151 0.907586 0.559785 S\n0.711366 0.771151 0.613565 S\n0.157586 0.097801 0.386435 S\n0.902199 0.288634 0.059785 S\n0.228849 0.842414 0.940215 S\n0.538634 0.978849 0.886435 S\n0.092414 0.652199 0.113565 S\n0.809106 0.967232 0.976178 S\n0.991054 0.832928 0.023822 S\n0.217232 0.741054 0.658126 S\n0.082928 0.559106 0.341874 S\n0.440894 0.782768 0.523822 S\n0.258946 0.917072 0.476178 S\n0.032768 0.008946 0.841874 S\n0.167072 0.190894 0.158126 S\n0.543123 0.700613 0.042866 S\n0.657747 0.500256 0.957134 S\n0.950613 0.407747 0.657490 S\n0.750256 0.293123 0.342510 S\n0.706877 0.049387 0.457134 S\n0.592253 0.249744 0.542866 S\n0.299387 0.342253 0.842510 S\n0.499744 0.456877 0.157490 S\n",
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{
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"structure_string": "Fe1 Ni1 Sn1\n1.0\n0.000000 0.000000 2.916425\n4.214136 0.000000 0.000000\n2.107068 3.648701 0.000000\nFe Ni Sn\n1 1 1\ndirect\n0.500000 0.666616 0.666768 Fe\n0.500000 0.333368 0.333264 Ni\n0.000000 0.000016 0.999968 Sn\n",
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