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{
"id": "mp-1042286",
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"structure_string": "Co8 Si16 O48\n1.0\n5.104953 0.000000 0.000000\n0.000000 10.790964 0.000000\n0.000000 0.000000 18.472324\nCo Si O\n8 16 48\ndirect\n0.439364 0.542356 0.373865 Co\n0.560636 0.457644 0.626135 Co\n0.939364 0.457644 0.126135 Co\n0.060636 0.542356 0.873865 Co\n0.439364 0.042356 0.126135 Co\n0.560636 0.957644 0.873865 Co\n0.939364 0.957644 0.373865 Co\n0.060636 0.042356 0.626135 Co\n0.625105 0.168572 0.276444 Si\n0.766908 0.329469 0.974262 Si\n0.733092 0.329469 0.474262 Si\n0.874895 0.668572 0.723556 Si\n0.125105 0.831428 0.223556 Si\n0.374895 0.331428 0.776444 Si\n0.266908 0.170531 0.974262 Si\n0.766908 0.829469 0.525738 Si\n0.733092 0.829469 0.025738 Si\n0.874895 0.168572 0.776444 Si\n0.374895 0.831428 0.723556 Si\n0.625105 0.668572 0.223556 Si\n0.233092 0.670531 0.025738 Si\n0.125105 0.331428 0.276444 Si\n0.233092 0.170531 0.474262 Si\n0.266908 0.670531 0.525738 Si\n0.796495 0.046136 0.824403 O\n0.336910 0.549081 0.575132 O\n0.203505 0.953864 0.175597 O\n0.777571 0.861802 0.439241 O\n0.277571 0.638198 0.439241 O\n0.970739 0.717115 0.545003 O\n0.875918 0.132608 0.690094 O\n0.124082 0.367392 0.190094 O\n0.777571 0.361802 0.060759 O\n0.875918 0.632608 0.809906 O\n0.296495 0.953864 0.675597 O\n0.722429 0.861802 0.939241 O\n0.663090 0.450919 0.424868 O\n0.375918 0.367392 0.690094 O\n0.703505 0.546136 0.175597 O\n0.336910 0.049081 0.924868 O\n0.296495 0.453864 0.824403 O\n0.167621 0.220353 0.795351 O\n0.332379 0.220353 0.295351 O\n0.529261 0.217115 0.454997 O\n0.722429 0.361802 0.560759 O\n0.624082 0.132608 0.190094 O\n0.836910 0.950919 0.575132 O\n0.167621 0.720353 0.704649 O\n0.222429 0.638198 0.939241 O\n0.624082 0.632608 0.309906 O\n0.663090 0.950919 0.075132 O\n0.277571 0.138198 0.060759 O\n0.163090 0.049081 0.424868 O\n0.667621 0.279647 0.795351 O\n0.203505 0.453864 0.324403 O\n0.832379 0.279647 0.295351 O\n0.832379 0.779647 0.204649 O\n0.836910 0.450919 0.924868 O\n0.222429 0.138198 0.560759 O\n0.163090 0.549081 0.075132 O\n0.332379 0.720353 0.204649 O\n0.029261 0.282885 0.454997 O\n0.470739 0.282885 0.954997 O\n0.667621 0.779647 0.704649 O\n0.470739 0.782885 0.545003 O\n0.529261 0.717115 0.045003 O\n0.029261 0.782885 0.045003 O\n0.375918 0.867392 0.809906 O\n0.703505 0.046136 0.324403 O\n0.970739 0.217115 0.954997 O\n0.124082 0.867392 0.309906 O\n0.796495 0.546136 0.675597 O\n",
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{
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"structure_string": "Te2 O2\n1.0\n3.215225 0.000000 0.000000\n-1.607612 2.784466 0.000000\n0.000000 0.000000 7.064650\nTe O\n2 2\ndirect\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
"id": "mp-769559",
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"structure_string": "Mg1 Cr3 S6 O24\n1.0\n7.833025 -4.166557 0.000000\n7.833025 4.166557 0.000000\n5.616742 0.000000 6.867946\nMg Cr S O\n1 3 6 24\ndirect\n0.852640 0.852640 0.852640 Mg\n0.644780 0.644780 0.644780 Cr\n0.356082 0.356082 0.356082 Cr\n0.150025 0.150025 0.150025 Cr\n0.961560 0.255250 0.532801 S\n0.460767 0.043166 0.747335 S\n0.747335 0.460767 0.043166 S\n0.255250 0.532801 0.961560 S\n0.532801 0.961560 0.255250 S\n0.043166 0.747335 0.460767 S\n0.702804 0.482477 0.891953 O\n0.891953 0.702804 0.482477 O\n0.986827 0.054460 0.666321 O\n0.978254 0.286654 0.340418 O\n0.647311 0.027347 0.718890 O\n0.952303 0.322735 0.018461 O\n0.482477 0.891953 0.702804 O\n0.764812 0.388794 0.613307 O\n0.322735 0.018461 0.952303 O\n0.618556 0.370330 0.239359 O\n0.370330 0.239359 0.618556 O\n0.718890 0.647311 0.027347 O\n0.286654 0.340418 0.978254 O\n0.613307 0.764812 0.388794 O\n0.388794 0.613307 0.764812 O\n0.666321 0.986827 0.054460 O\n0.239359 0.618556 0.370330 O\n0.504646 0.107633 0.310953 O\n0.054460 0.666321 0.986827 O\n0.340418 0.978254 0.286654 O\n0.027347 0.718890 0.647311 O\n0.018461 0.952303 0.322735 O\n0.107633 0.310953 0.504646 O\n0.310953 0.504646 0.107633 O\n",
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{
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"structure_string": "Ta22\n1.0\n10.516577 0.000000 0.000000\n0.000000 10.516577 0.000000\n0.000000 0.000000 4.766210\nTa\n22\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.757993 0.432150 0.500000 Ta\n0.242007 0.567850 0.500000 Ta\n0.932150 0.742007 0.000000 Ta\n0.067850 0.257993 0.000000 Ta\n0.432150 0.757993 0.500000 Ta\n0.567850 0.242007 0.500000 Ta\n0.257993 0.067850 0.000000 Ta\n0.742007 0.932150 0.000000 Ta\n0.035151 0.377732 0.500000 Ta\n0.964849 0.622268 0.500000 Ta\n0.877732 0.464849 0.000000 Ta\n0.122268 0.535151 0.000000 Ta\n0.377732 0.035151 0.500000 Ta\n0.622268 0.964849 0.500000 Ta\n0.535151 0.122268 0.000000 Ta\n0.464849 0.877732 0.000000 Ta\n0.102360 0.102360 0.500000 Ta\n0.897640 0.897640 0.500000 Ta\n0.602360 0.397640 0.000000 Ta\n0.397640 0.602360 0.000000 Ta\n",
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{
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"created_at": "2022-09-04T14:45:20.621412Z",
"structure_string": "Rb2 Gd2 W4 O16\n1.0\n5.389094 5.492545 0.000000\n-5.389094 5.492545 0.000000\n0.000000 4.853689 5.757388\nRb Gd W O\n2 2 4 16\ndirect\n0.202238 0.797762 0.750000 Rb\n0.797762 0.202238 0.250000 Rb\n0.775818 0.224182 0.750000 Gd\n0.224182 0.775818 0.250000 Gd\n0.699373 0.688780 0.782564 W\n0.311220 0.300627 0.717436 W\n0.300627 0.311220 0.217436 W\n0.688780 0.699373 0.282564 W\n0.409875 0.627816 0.032265 O\n0.372184 0.590125 0.467735 O\n0.590125 0.372184 0.967735 O\n0.627816 0.409875 0.532265 O\n0.938328 0.628140 0.628321 O\n0.371860 0.061672 0.871679 O\n0.061672 0.371860 0.371679 O\n0.628140 0.938328 0.128321 O\n0.623236 0.750761 0.560067 O\n0.249239 0.376764 0.939933 O\n0.376764 0.249239 0.439933 O\n0.750761 0.623236 0.060067 O\n0.779810 0.952551 0.693510 O\n0.047449 0.220190 0.806490 O\n0.220190 0.047449 0.306490 O\n0.952551 0.779810 0.193510 O\n",
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{
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{
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{
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"structure_string": "Ce6 Si4 Sn6\n1.0\n2.258800 -3.912356 0.000000\n2.258800 3.912356 0.000000\n0.000000 0.000000 23.796494\nCe Si Sn\n6 4 6\ndirect\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n0.333333 0.666667 0.076137 Ce\n0.666667 0.333333 0.923863 Ce\n0.666667 0.333333 0.576137 Ce\n0.333333 0.666667 0.423863 Ce\n0.000000 0.000000 0.167732 Si\n0.000000 0.000000 0.832268 Si\n0.000000 0.000000 0.667732 Si\n0.000000 0.000000 0.332268 Si\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.333333 0.666667 0.659049 Sn\n0.666667 0.333333 0.340951 Sn\n0.666667 0.333333 0.159049 Sn\n0.333333 0.666667 0.840951 Sn\n",
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{
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{
"id": "mp-1180582",
"created_at": "2022-09-04T14:45:20.680447Z",
"structure_string": "Li2 Al4 Br2 O12\n1.0\n2.842157 -4.862126 0.000000\n2.842157 4.862126 0.000000\n0.000000 0.000000 10.274826\nLi Al Br O\n2 4 2 12\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.327349 0.672651 0.500000 Al\n0.672651 0.327349 0.500000 Al\n0.672651 0.327349 0.000000 Al\n0.327349 0.672651 0.000000 Al\n0.970485 0.970485 0.250000 Br\n0.029515 0.029515 0.750000 Br\n0.999765 0.411206 0.927920 O\n0.411206 0.999765 0.927920 O\n0.572665 0.572665 0.931399 O\n0.000235 0.588794 0.072080 O\n0.588794 0.000235 0.072080 O\n0.427335 0.427335 0.068601 O\n0.000235 0.588794 0.427920 O\n0.588794 0.000235 0.427920 O\n0.427335 0.427335 0.431399 O\n0.999765 0.411206 0.572080 O\n0.411206 0.999765 0.572080 O\n0.572665 0.572665 0.568601 O\n",
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{
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],
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"density": 5.121162392314024,
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"formula_full": "Na32 Pd16 O48",
"formula_reduced": "Na2PdO3",
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},
{
"id": "mp-1077922",
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"structure_string": "Tl2 Rh3 S2\n1.0\n5.034427 -2.878285 0.000000\n5.034427 2.878285 0.000000\n3.388852 0.000000 4.705918\nTl Rh S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.720614 0.720614 0.720614 S\n0.279386 0.279386 0.279386 S\n",
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]
}