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{
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"structure_string": "Re12 Se16 Br12\n1.0\n9.294621 0.000000 0.000000\n1.216807 9.354191 0.000000\n1.475547 1.289093 13.080684\nRe Se Br\n12 16 12\ndirect\n0.690954 0.474275 0.946127 Re\n0.309046 0.525725 0.053873 Re\n0.478827 0.685829 0.933259 Re\n0.521173 0.314171 0.066741 Re\n0.443088 0.423091 0.881304 Re\n0.556912 0.576909 0.118696 Re\n0.888021 0.189462 0.501515 Re\n0.111979 0.810538 0.498485 Re\n0.832541 0.917591 0.507736 Re\n0.167459 0.082409 0.492264 Re\n0.990046 0.985599 0.643266 Re\n0.009954 0.014401 0.356734 Re\n0.601880 0.583757 0.770894 Se\n0.398120 0.416243 0.229106 Se\n0.954952 0.752087 0.371523 Se\n0.045048 0.247913 0.628477 Se\n0.641939 0.221051 0.901665 Se\n0.358061 0.778949 0.098335 Se\n0.282856 0.916510 0.358367 Se\n0.717144 0.083490 0.641633 Se\n0.258069 0.886657 0.629696 Se\n0.741931 0.113343 0.370304 Se\n0.236923 0.628595 0.879346 Se\n0.763077 0.371405 0.120654 Se\n0.934771 0.728151 0.645975 Se\n0.065229 0.271849 0.354025 Se\n0.725245 0.719509 0.990577 Se\n0.274755 0.280491 0.009423 Se\n0.640271 0.679439 0.266448 Br\n0.359729 0.320561 0.733552 Br\n0.976910 0.969495 0.837218 Br\n0.023090 0.030505 0.162782 Br\n0.600482 0.796792 0.515286 Br\n0.399518 0.203208 0.484714 Br\n0.951286 0.423958 0.864543 Br\n0.048714 0.576042 0.135457 Br\n0.449217 0.940698 0.845820 Br\n0.550783 0.059302 0.154180 Br\n0.738357 0.433064 0.503861 Br\n0.261643 0.566936 0.496139 Br\n",
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"formula_full": "Re12 Se16 Br12",
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{
"id": "mp-1222774",
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"structure_string": "Li1 Cu3 O3\n1.0\n2.855135 0.000000 0.000000\n0.000000 2.855135 0.000000\n0.000000 0.000000 8.799616\nLi Cu O\n1 3 3\ndirect\n0.500000 0.500000 0.757958 Li\n0.000000 0.000000 0.988902 Cu\n0.500000 0.500000 0.233020 Cu\n0.000000 0.000000 0.529724 Cu\n0.000000 0.000000 0.784478 O\n0.000000 0.000000 0.203126 O\n0.500000 0.500000 0.502792 O\n",
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"volume": 71.73267335076662,
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"formula_full": "Li1 Cu3 O3",
"formula_reduced": "Li(CuO)3",
"formula_anonymous": "AB3C3",
"energy": -36.18904655,
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"spacegroup": 99
},
{
"id": "mp-1184170",
"created_at": "2022-09-04T14:48:31.289275Z",
"structure_string": "Dy2 In1 Ag1\n1.0\n0.000000 3.718284 3.718284\n3.718284 0.000000 3.718284\n3.718284 3.718284 0.000000\nDy In Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750000 0.750000 0.750000 Dy\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
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"formula_full": "Dy2 In1 Ag1",
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"formula_anonymous": "ABC2",
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},
{
"id": "mp-1079351",
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"structure_string": "Sr2 Cu1 Mo1 O6\n1.0\n-2.733533 2.733533 4.284866\n2.733533 -2.733533 4.284866\n2.733533 2.733533 -4.284866\nSr Cu Mo O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Mo\n0.708836 0.796294 0.505129 O\n0.291164 0.203706 0.494871 O\n0.796294 0.291164 0.087458 O\n0.203706 0.708836 0.912542 O\n0.227002 0.227002 0.000000 O\n0.772998 0.772998 0.000000 O\n",
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],
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"formula_full": "Sr2 Cu1 Mo1 O6",
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"updated_at": "2021-11-28T01:39:55.159000Z",
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{
"id": "mp-1247521",
"created_at": "2022-09-04T14:48:29.604386Z",
"structure_string": "Mg10 Ni2 N8\n1.0\n7.900336 0.000000 0.000000\n0.000000 6.429398 -0.000000\n0.000000 0.000000 5.460906\nMg Ni N\n10 2 8\ndirect\n0.558410 0.511909 0.276751 Mg\n0.941590 0.511909 0.276751 Mg\n0.558410 0.988091 0.276751 Mg\n0.941590 0.988091 0.276751 Mg\n0.441590 0.488091 0.723249 Mg\n0.058410 0.488091 0.723249 Mg\n0.441590 0.011909 0.723249 Mg\n0.058410 0.011909 0.723249 Mg\n0.750000 0.750000 0.744438 Mg\n0.250000 0.250000 0.255562 Mg\n0.750000 0.250000 0.938005 Ni\n0.250000 0.750000 0.061995 Ni\n0.750000 0.985327 0.010044 N\n0.750000 0.514673 0.010044 N\n0.250000 0.014673 0.989956 N\n0.250000 0.485327 0.989956 N\n0.531609 0.750000 0.535766 N\n0.968391 0.750000 0.535766 N\n0.468391 0.250000 0.464234 N\n0.031609 0.250000 0.464234 N\n",
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"volume": 277.3834681788517,
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"formula_full": "Mg10 Ni2 N8",
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},
{
"id": "mp-569613",
"created_at": "2022-09-04T14:48:29.232771Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n6.929669 0.000000 0.000000\n0.000000 6.421565 0.000000\n0.000000 1.083365 11.830190\nBa P Cl\n4 14 2\ndirect\n0.250000 0.229264 0.954338 Ba\n0.250000 0.432757 0.346937 Ba\n0.750000 0.770736 0.045662 Ba\n0.750000 0.567243 0.653063 Ba\n0.250000 0.008903 0.550509 P\n0.993970 0.117018 0.195238 P\n0.750000 0.321563 0.222366 P\n0.250000 0.674467 0.593477 P\n0.419701 0.144717 0.686887 P\n0.080299 0.144717 0.686887 P\n0.919701 0.855283 0.313113 P\n0.006030 0.882982 0.804762 P\n0.250000 0.678437 0.777634 P\n0.493970 0.882982 0.804762 P\n0.580299 0.855283 0.313113 P\n0.750000 0.325533 0.406523 P\n0.506030 0.117018 0.195238 P\n0.750000 0.991097 0.449491 P\n0.750000 0.365041 0.911013 Cl\n0.250000 0.634959 0.088987 Cl\n",
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],
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"density": 3.3241562612903492,
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"volume": 526.4354094295658,
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"formula_full": "Ba4 P14 Cl2",
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"spacegroup": 11
},
{
"id": "mp-1175576",
"created_at": "2022-09-04T14:48:30.968371Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.115958 0.000000 0.000000\n2.444495 7.326176 0.000000\n0.878931 0.719512 7.650804\nLi Mn Co O\n9 2 5 16\ndirect\n0.511325 0.804485 0.061492 Li\n0.500621 0.444382 0.184023 Li\n0.507729 0.679700 0.447395 Li\n0.492271 0.320300 0.552605 Li\n0.499379 0.555618 0.815977 Li\n0.488675 0.195515 0.938508 Li\n0.487312 0.069174 0.311450 Li\n0.512688 0.930826 0.688550 Li\n0.000000 0.500000 0.000000 Li\n0.013452 0.867951 0.876406 Mn\n0.986548 0.132049 0.123594 Mn\n0.998422 0.740736 0.246769 Co\n0.995270 0.377131 0.371042 Co\n0.000000 0.000000 0.500000 Co\n0.004730 0.622869 0.628958 Co\n0.001578 0.259264 0.753231 Co\n0.221804 0.033512 0.917565 O\n0.236317 0.675158 0.025269 O\n0.204335 0.923315 0.280978 O\n0.232980 0.538927 0.407633 O\n0.245296 0.779999 0.673362 O\n0.236811 0.396420 0.770657 O\n0.213734 0.276304 0.161356 O\n0.215027 0.156896 0.524470 O\n0.763189 0.603580 0.229343 O\n0.754704 0.220001 0.326638 O\n0.767020 0.461073 0.592367 O\n0.795665 0.076685 0.719022 O\n0.763683 0.324842 0.974731 O\n0.778196 0.966488 0.082435 O\n0.784973 0.843104 0.475530 O\n0.786266 0.723696 0.838644 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1191275",
"created_at": "2022-09-04T14:48:31.002869Z",
"structure_string": "Ho6 Si4 Ni12\n1.0\n-4.367238 4.367238 4.367238\n4.367238 -4.367238 4.367238\n4.367238 4.367238 -4.367238\nHo Si Ni\n6 4 12\ndirect\n0.716252 0.716252 0.000000 Ho\n0.283748 0.000000 0.283748 Ho\n0.000000 0.283748 0.283748 Ho\n0.283748 0.283748 0.000000 Ho\n0.716252 0.000000 0.716252 Ho\n0.000000 0.716252 0.716252 Ho\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.331058 0.331058 0.662116 Ni\n0.668942 0.000000 0.331058 Ni\n0.000000 0.668942 0.331058 Ni\n0.668942 0.331058 0.000000 Ni\n0.331058 0.662116 0.331058 Ni\n0.000000 0.331058 0.668942 Ni\n0.331058 0.668942 0.000000 Ni\n0.331058 0.000000 0.668942 Ni\n0.662116 0.331058 0.331058 Ni\n0.668942 0.668942 0.337884 Ni\n0.668942 0.337884 0.668942 Ni\n0.337884 0.668942 0.668942 Ni\n",
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"formula_full": "Ho6 Si4 Ni12",
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"spacegroup": 229
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{
"id": "mp-1211265",
"created_at": "2022-09-04T14:48:30.234420Z",
"structure_string": "Rb4 Dy4 S8 O48\n1.0\n-6.066900 0.000000 0.580472\n-0.154485 0.000000 -9.150624\n0.000000 -20.013020 0.000000\nRb Dy S O\n4 4 8 48\ndirect\n0.843145 0.864685 0.710728 Rb\n0.156855 0.135315 0.289272 Rb\n0.156855 0.635315 0.210728 Rb\n0.843145 0.364685 0.789272 Rb\n0.381342 0.721756 0.860462 Dy\n0.618658 0.278244 0.139538 Dy\n0.618658 0.778244 0.360462 Dy\n0.381342 0.221756 0.639538 Dy\n0.367779 0.590721 0.721532 S\n0.632221 0.409279 0.278468 S\n0.632221 0.909279 0.221532 S\n0.367779 0.090721 0.778468 S\n0.812801 0.747428 0.930056 S\n0.187199 0.252572 0.069944 S\n0.187199 0.752572 0.430056 S\n0.812801 0.247428 0.569944 S\n0.190548 0.995807 0.625908 O\n0.809452 0.004193 0.374092 O\n0.809452 0.504193 0.125908 O\n0.190548 0.495807 0.874092 O\n0.653839 0.613647 0.922209 O\n0.346161 0.386353 0.077791 O\n0.346161 0.886353 0.422209 O\n0.653839 0.113647 0.577791 O\n0.831075 0.878985 0.264370 O\n0.168925 0.121015 0.735630 O\n0.168925 0.621015 0.764370 O\n0.831075 0.378985 0.235630 O\n0.442480 0.992794 0.974854 O\n0.557520 0.007206 0.025146 O\n0.557520 0.507206 0.474854 O\n0.442480 0.492794 0.525146 O\n0.762663 0.725644 0.570770 O\n0.237337 0.274356 0.429230 O\n0.237337 0.774356 0.070770 O\n0.762663 0.225644 0.929230 O\n0.390337 0.691149 0.665646 O\n0.609663 0.308851 0.334354 O\n0.609663 0.808851 0.165646 O\n0.390337 0.191149 0.834354 O\n0.714851 0.859415 0.885456 O\n0.285149 0.140585 0.114544 O\n0.285149 0.640585 0.385456 O\n0.714851 0.359415 0.614544 O\n0.347760 0.933713 0.798742 O\n0.652240 0.066287 0.201258 O\n0.652240 0.566287 0.298742 O\n0.347760 0.433713 0.701258 O\n0.558292 0.616433 0.770736 O\n0.441708 0.383567 0.229264 O\n0.441708 0.883567 0.270736 O\n0.558292 0.116433 0.729264 O\n0.845209 0.793956 0.998332 O\n0.154791 0.206044 0.001668 O\n0.154791 0.706044 0.498332 O\n0.845209 0.293956 0.501668 O\n0.691014 0.798034 0.525156 O\n0.308986 0.201966 0.474844 O\n0.308986 0.701966 0.025156 O\n0.691014 0.298034 0.974844 O\n0.032763 0.717895 0.898445 O\n0.967237 0.282105 0.101555 O\n0.967237 0.782105 0.398445 O\n0.032763 0.217895 0.601555 O\n",
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"formula_full": "Rb4 Dy4 S8 O48",
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{
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{
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{
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]
}