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{
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{
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{
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{
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{
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"structure_string": "Co1 C4 O4\n1.0\n5.765267 0.000000 0.000000\n0.000000 5.765267 0.000000\n0.000000 0.000000 5.765267\nCo C O\n1 4 4\ndirect\n0.500000 0.500000 0.500000 Co\n0.318725 0.681275 0.681275 C\n0.318725 0.318725 0.318725 C\n0.681275 0.318725 0.681275 C\n0.681275 0.681275 0.318725 C\n0.202798 0.202798 0.202798 O\n0.202798 0.797202 0.797202 O\n0.797202 0.202798 0.797202 O\n0.797202 0.797202 0.202798 O\n",
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{
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},
{
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"structure_string": "Cs12 Bi8 P12 S48\n1.0\n6.974097 0.000000 0.000000\n0.000000 18.544821 0.000000\n0.000000 2.838205 19.071627\nCs Bi P S\n12 8 12 48\ndirect\n0.732619 0.892012 0.988259 Cs\n0.232619 0.107988 0.511741 Cs\n0.267381 0.107988 0.011741 Cs\n0.767381 0.892012 0.488259 Cs\n0.752113 0.623549 0.308378 Cs\n0.252113 0.376451 0.191622 Cs\n0.247887 0.376451 0.691622 Cs\n0.747887 0.623549 0.808378 Cs\n0.276675 0.763811 0.631820 Cs\n0.776675 0.236189 0.868180 Cs\n0.723325 0.236189 0.368180 Cs\n0.223325 0.763811 0.131820 Cs\n0.190418 0.928362 0.790978 Bi\n0.690418 0.071638 0.709022 Bi\n0.809582 0.071638 0.209022 Bi\n0.309582 0.928362 0.290978 Bi\n0.321254 0.597800 0.505921 Bi\n0.821254 0.402200 0.994079 Bi\n0.678746 0.402200 0.494079 Bi\n0.178746 0.597800 0.005921 Bi\n0.790654 0.882574 0.696658 P\n0.290654 0.117426 0.803342 P\n0.209346 0.117426 0.303342 P\n0.709346 0.882574 0.196658 P\n0.247180 0.777055 0.418250 P\n0.747180 0.222945 0.081750 P\n0.752820 0.222945 0.581750 P\n0.252820 0.777055 0.918250 P\n0.749458 0.538222 0.604231 P\n0.249458 0.461778 0.895769 P\n0.250542 0.461778 0.395769 P\n0.750542 0.538222 0.104231 P\n0.825657 0.884168 0.804585 S\n0.325657 0.115832 0.695415 S\n0.174343 0.115832 0.195415 S\n0.674343 0.884168 0.304585 S\n0.779531 0.783383 0.667792 S\n0.279531 0.216617 0.832208 S\n0.220469 0.216617 0.332208 S\n0.720469 0.783383 0.167792 S\n0.234001 0.885229 0.935474 S\n0.734001 0.114771 0.564526 S\n0.765999 0.114771 0.064526 S\n0.265999 0.885229 0.435474 S\n0.023469 0.942572 0.653155 S\n0.523469 0.057428 0.846845 S\n0.976531 0.057428 0.346845 S\n0.476531 0.942572 0.153155 S\n0.503279 0.726730 0.449980 S\n0.003279 0.273270 0.050020 S\n0.496721 0.273270 0.550020 S\n0.996721 0.726730 0.949980 S\n0.194506 0.783067 0.312202 S\n0.694506 0.216933 0.187798 S\n0.805494 0.216933 0.687798 S\n0.305494 0.783067 0.812202 S\n0.509814 0.580544 0.644895 S\n0.009814 0.419456 0.855105 S\n0.490186 0.419456 0.355105 S\n0.990186 0.580544 0.144895 S\n0.253825 0.575171 0.370814 S\n0.753825 0.424829 0.129186 S\n0.746175 0.424829 0.629186 S\n0.246175 0.575171 0.870814 S\n0.036860 0.721214 0.475334 S\n0.536860 0.278786 0.024666 S\n0.963140 0.278786 0.524666 S\n0.463140 0.721214 0.975334 S\n0.714540 0.558949 0.494070 S\n0.214540 0.441051 0.005930 S\n0.285460 0.441051 0.505930 S\n0.785460 0.558949 0.994070 S\n0.999412 0.576106 0.635530 S\n0.499412 0.423894 0.864470 S\n0.000588 0.423894 0.364470 S\n0.500588 0.576106 0.135530 S\n0.540713 0.938729 0.666217 S\n0.040713 0.061271 0.833783 S\n0.459287 0.061271 0.333783 S\n0.959287 0.938729 0.166217 S\n",
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],
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"formula_full": "Cs12 Bi8 P12 S48",
"formula_reduced": "Cs3Bi2(PS4)3",
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},
{
"id": "mp-28872",
"created_at": "2022-09-04T14:43:39.619301Z",
"structure_string": "Rb1 Br1 O3\n1.0\n3.387034 -3.150317 0.000000\n3.387034 3.150317 0.000000\n0.456889 0.000000 4.603015\nRb Br O\n1 1 3\ndirect\n0.009714 0.009714 0.009714 Rb\n0.528663 0.528663 0.528663 Br\n0.466905 0.891852 0.466905 O\n0.891852 0.466905 0.466905 O\n0.466905 0.466905 0.891852 O\n",
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"updated_at": "2021-11-28T01:36:19.866000Z",
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]
}