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{
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{
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{
"id": "mp-1100763",
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"structure_string": "Pt3 F1\n1.0\n0.000000 3.090403 3.090403\n3.090403 0.000000 3.090403\n3.090403 3.090403 0.000000\nPt F\n3 1\ndirect\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 F\n",
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{
"id": "mp-1033703",
"created_at": "2022-09-04T14:47:13.621392Z",
"structure_string": "Li1 Y1 Mg6 O8\n1.0\n8.742234 -0.000000 0.000000\n0.000000 4.361452 0.000000\n0.000000 0.000000 4.361452\nLi Y Mg O\n1 1 6 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.258902 0.000000 0.500000 Mg\n0.741098 0.000000 0.500000 Mg\n0.258902 0.500000 -0.000000 Mg\n0.741098 0.500000 0.000000 Mg\n0.260968 0.000000 0.000000 O\n0.739032 -0.000000 -0.000000 O\n0.260444 0.500000 0.500000 O\n0.739556 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-1195008",
"created_at": "2022-09-04T14:47:15.820960Z",
"structure_string": "Dy15 Fe8 C26\n1.0\n0.000376 0.000676 -5.142771\n-5.962469 -10.321314 0.001789\n-5.958866 10.319235 -0.000919\nDy Fe C\n15 8 26\ndirect\n0.253631 0.115875 0.712224 Dy\n0.253636 0.287695 0.403552 Dy\n0.253668 0.596287 0.884133 Dy\n0.746355 0.884121 0.596323 Dy\n0.746310 0.403705 0.287832 Dy\n0.746402 0.712313 0.115868 Dy\n0.242719 0.631077 0.486300 Dy\n0.242702 0.513705 0.144688 Dy\n0.242695 0.855435 0.368918 Dy\n0.757287 0.368934 0.855285 Dy\n0.757315 0.144572 0.513470 Dy\n0.757292 0.486237 0.630969 Dy\n0.499989 0.833073 0.833165 Dy\n0.500044 0.166970 0.000078 Dy\n0.499963 0.999995 0.167242 Dy\n0.000000 0.741778 0.741864 Fe\n0.000024 0.258184 0.000191 Fe\n0.999963 0.000101 0.258089 Fe\n0.999960 0.129348 0.129426 Fe\n0.000171 0.870610 0.000149 Fe\n0.999876 0.000070 0.870578 Fe\n0.267447 0.333321 0.666600 Fe\n0.732554 0.666661 0.333272 Fe\n0.228876 0.319248 0.920193 C\n0.229118 0.079796 0.399135 C\n0.228828 0.600840 0.680705 C\n0.771222 0.680737 0.600893 C\n0.771090 0.399172 0.079837 C\n0.770868 0.920204 0.319285 C\n0.258798 0.358944 0.831927 C\n0.258709 0.168210 0.527037 C\n0.258806 0.472977 0.641032 C\n0.741137 0.641011 0.472958 C\n0.741243 0.527020 0.168096 C\n0.741297 0.831808 0.358830 C\n0.175571 0.881281 0.701309 C\n0.175581 0.298712 0.180073 C\n0.175625 0.819914 0.118523 C\n0.824372 0.118592 0.819922 C\n0.824322 0.180084 0.298681 C\n0.824559 0.701335 0.881303 C\n0.234629 0.875259 0.584481 C\n0.234576 0.415528 0.290757 C\n0.234681 0.709310 0.124825 C\n0.765292 0.124782 0.709229 C\n0.765426 0.290733 0.415539 C\n0.765376 0.584542 0.875242 C\n0.222548 0.999982 0.999966 C\n0.777444 0.999911 0.000009 C\n",
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{
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"created_at": "2022-09-04T14:47:10.827952Z",
"structure_string": "Mg4 Sc8 S16\n1.0\n6.869334 0.000000 0.000000\n-0.007269 7.942835 0.000000\n-1.149738 -1.982789 12.467034\nMg Sc S\n4 8 16\ndirect\n0.867493 0.800654 0.700870 Mg\n0.132507 0.199346 0.299130 Mg\n0.750691 0.624900 0.998429 Mg\n0.249309 0.375100 0.001571 Mg\n0.862492 0.299142 0.698577 Sc\n0.137508 0.700858 0.301423 Sc\n0.758686 0.123664 0.000372 Sc\n0.241314 0.876336 0.999628 Sc\n0.632249 0.446438 0.300250 Sc\n0.367751 0.553562 0.699750 Sc\n0.631448 0.953803 0.302224 Sc\n0.368552 0.046197 0.697776 Sc\n0.896693 0.345608 0.892374 S\n0.103307 0.654392 0.107626 S\n0.899653 0.851408 0.895766 S\n0.100347 0.148592 0.104234 S\n0.812248 0.217899 0.371950 S\n0.187752 0.782101 0.628050 S\n0.811353 0.717660 0.370445 S\n0.188647 0.282340 0.629555 S\n0.688467 0.031143 0.628265 S\n0.311533 0.968857 0.371735 S\n0.688341 0.533334 0.630088 S\n0.311659 0.466666 0.369912 S\n0.597481 0.906266 0.107169 S\n0.402519 0.093734 0.892831 S\n0.604510 0.398916 0.106134 S\n0.395490 0.601084 0.893866 S\n",
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{
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{
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{
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"structure_string": "V2 H20 Se2 N2 O18\n1.0\n10.192343 0.000000 0.000000\n0.000000 6.453246 0.000000\n0.000000 2.242885 6.590793\nV H Se N O\n2 20 2 2 18\ndirect\n0.999654 0.615079 0.603055 V\n0.499654 0.384921 0.396945 V\n0.211292 0.769894 0.310285 H\n0.711292 0.230106 0.689715 H\n0.849314 0.122198 0.079980 H\n0.349314 0.877802 0.920020 H\n0.863095 0.972146 0.304267 H\n0.363095 0.027854 0.695733 H\n0.264733 0.680413 0.734727 H\n0.764733 0.319587 0.265273 H\n0.082633 0.796129 0.184100 H\n0.582633 0.203871 0.815900 H\n0.766584 0.534565 0.334913 H\n0.266584 0.465435 0.665087 H\n0.216321 0.188425 0.216500 H\n0.716321 0.811575 0.783500 H\n0.051144 0.233432 0.197325 H\n0.551144 0.766568 0.802675 H\n0.155435 0.394153 0.023418 H\n0.655435 0.605847 0.976582 H\n0.150635 0.409301 0.262363 H\n0.650635 0.590699 0.737637 H\n0.000043 0.067906 0.730375 Se\n0.500043 0.932094 0.269625 Se\n0.143490 0.306245 0.175716 N\n0.643490 0.693755 0.824284 N\n0.441359 0.464638 0.164240 O\n0.941359 0.535362 0.835760 O\n0.367484 0.317753 0.550601 O\n0.867484 0.682247 0.449399 O\n0.710080 0.445007 0.274747 O\n0.210080 0.554993 0.725253 O\n0.623452 0.297304 0.688073 O\n0.123452 0.702696 0.311927 O\n0.051326 0.920658 0.580793 O\n0.551326 0.079342 0.419207 O\n0.035912 0.323224 0.572216 O\n0.535912 0.676776 0.427784 O\n0.087380 0.007442 0.939629 O\n0.587380 0.992558 0.060371 O\n0.339272 0.955384 0.227687 O\n0.839272 0.044616 0.772313 O\n0.869361 0.127422 0.215712 O\n0.369361 0.872578 0.784288 O\n",
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"formula_full": "V2 H20 Se2 N2 O18",
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"spacegroup": 4
},
{
"id": "mp-734008",
"created_at": "2022-09-04T14:47:13.081340Z",
"structure_string": "Sb8 N12 Cl28 O4\n1.0\n10.699494 0.000000 0.000000\n0.000000 11.265264 0.000000\n0.000000 0.000000 13.176022\nSb N Cl O\n8 12 28 4\ndirect\n0.159928 0.285834 0.923437 Sb\n0.159928 0.714166 0.076563 Sb\n0.340072 0.785834 0.576563 Sb\n0.340072 0.214166 0.423437 Sb\n0.840072 0.714166 0.076563 Sb\n0.840072 0.285834 0.923437 Sb\n0.659928 0.214166 0.423437 Sb\n0.659928 0.785834 0.576563 Sb\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.104527 0.594679 N\n0.000000 0.895473 0.405321 N\n0.500000 0.604527 0.905321 N\n0.500000 0.395473 0.094679 N\n0.000000 0.287524 0.228500 N\n0.000000 0.712476 0.771500 N\n0.500000 0.787524 0.271500 N\n0.500000 0.212476 0.728500 N\n0.196963 0.139045 0.797986 Cl\n0.196963 0.860955 0.202014 Cl\n0.303037 0.639045 0.702014 Cl\n0.303037 0.360955 0.297986 Cl\n0.803037 0.860955 0.202014 Cl\n0.803037 0.139045 0.797986 Cl\n0.696963 0.360955 0.297986 Cl\n0.696963 0.639045 0.702014 Cl\n0.278945 0.185330 0.049020 Cl\n0.278945 0.814670 0.950980 Cl\n0.221055 0.685330 0.450980 Cl\n0.221055 0.314670 0.549020 Cl\n0.721055 0.814670 0.950980 Cl\n0.721055 0.185330 0.049020 Cl\n0.778945 0.314670 0.549020 Cl\n0.778945 0.685330 0.450980 Cl\n0.000000 0.388410 0.790854 Cl\n0.000000 0.611590 0.209146 Cl\n0.500000 0.888410 0.709146 Cl\n0.500000 0.111590 0.290854 Cl\n0.500000 0.330484 0.798615 Cl\n0.500000 0.669516 0.201385 Cl\n0.000000 0.830484 0.701385 Cl\n0.000000 0.169516 0.298615 Cl\n0.197806 0.500000 0.000000 Cl\n0.302194 0.000000 0.500000 Cl\n0.802194 0.500000 0.000000 Cl\n0.697806 0.000000 0.500000 Cl\n0.000000 0.238023 0.985877 O\n0.000000 0.761977 0.014123 O\n0.500000 0.738023 0.514123 O\n0.500000 0.261977 0.485877 O\n",
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"elements": [
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],
"chemical_system": "Cl-N-O-Sb",
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"volume": 1588.1405131365977,
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"formula_full": "Sb8 N12 Cl28 O4",
"formula_reduced": "Sb2N3Cl7O",
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"updated_at": "2021-11-28T01:37:53.793000Z",
"spacegroup": 58
},
{
"id": "mp-1003854",
"created_at": "2022-09-04T14:47:12.891948Z",
"structure_string": "K4 Mn4 O8\n1.0\n-3.203208 3.203208 5.394211\n3.203208 -3.203208 5.394211\n3.203208 3.203208 -5.394211\nK Mn O\n4 4 8\ndirect\n0.126219 0.378007 0.748211 K\n0.629796 0.378007 0.251789 K\n0.621993 0.370204 0.748211 K\n0.621993 0.873781 0.251789 K\n0.118619 0.868727 0.249892 Mn\n0.131273 0.881381 0.750108 Mn\n0.131273 0.381165 0.249892 Mn\n0.618835 0.868727 0.750108 Mn\n0.316182 0.124953 0.191229 O\n0.875047 0.683818 0.808771 O\n0.875047 0.066276 0.191229 O\n0.933724 0.124953 0.808771 O\n0.366873 0.059508 0.692635 O\n0.940492 0.633127 0.307365 O\n0.325761 0.633127 0.692635 O\n0.366873 0.674239 0.307365 O\n",
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"elements": [
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"chemical_system": "K-Mn-O",
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"volume": 221.3901031125307,
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"formula_full": "K4 Mn4 O8",
"formula_reduced": "KMnO2",
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"spacegroup": 119
},
{
"id": "mp-734430",
"created_at": "2022-09-04T14:47:12.216946Z",
"structure_string": "Se4 O12\n1.0\n5.581690 0.000000 0.000000\n0.000000 6.126338 0.000000\n0.000000 0.000000 9.452005\nSe O\n4 12\ndirect\n0.129983 0.976861 0.116304 Se\n0.629983 0.523139 0.883696 Se\n0.370017 0.023139 0.616304 Se\n0.870017 0.476861 0.383696 Se\n0.902335 0.141187 0.098594 O\n0.402335 0.358813 0.901406 O\n0.597665 0.858813 0.598594 O\n0.097665 0.641187 0.401406 O\n0.381172 0.067876 0.181098 O\n0.881172 0.432124 0.818902 O\n0.118828 0.932124 0.681098 O\n0.618828 0.567876 0.318902 O\n0.099598 0.721176 0.073644 O\n0.599598 0.778824 0.926356 O\n0.400402 0.278824 0.573644 O\n0.900402 0.221176 0.426356 O\n",
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"formula_full": "Se4 O12",
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}
]
}