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{
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{
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"structure_string": "Mg1 Cd4 Cu4 As4 H4 O20\n1.0\n0.000000 0.000000 6.129983\n7.842672 0.292703 0.000000\n0.374097 9.518120 0.000000\nMg Cd Cu As H O\n1 4 4 4 4 20\ndirect\n0.750000 0.744015 0.418773 Mg\n0.250000 0.595577 0.266295 Cd\n0.250000 0.150401 0.188103 Cd\n0.750000 0.371271 0.682363 Cd\n0.750000 0.962165 0.840941 Cd\n0.493796 0.518811 0.960829 Cu\n0.016337 0.009537 0.530271 Cu\n0.006204 0.518811 0.960829 Cu\n0.483663 0.009537 0.530271 Cu\n0.250000 0.611009 0.626053 As\n0.250000 0.142116 0.861252 As\n0.750000 0.338856 0.336664 As\n0.750000 0.857314 0.143246 As\n0.250000 0.771246 0.009177 H\n0.250000 0.260400 0.449022 H\n0.750000 0.279664 0.987553 H\n0.750000 0.749415 0.658823 H\n0.518292 0.360492 0.234306 O\n0.964436 0.812817 0.262222 O\n0.015580 0.575827 0.725001 O\n0.478498 0.132128 0.751886 O\n0.484420 0.575827 0.725001 O\n0.021502 0.132128 0.751886 O\n0.981708 0.360492 0.234306 O\n0.535564 0.812817 0.262222 O\n0.250000 0.484781 0.485416 O\n0.250000 0.981348 0.995804 O\n0.750000 0.498295 0.454686 O\n0.750000 0.062755 0.070855 O\n0.250000 0.824481 0.558319 O\n0.250000 0.319853 0.959071 O\n0.750000 0.156366 0.458758 O\n0.750000 0.730869 0.998912 O\n0.250000 0.644257 0.031550 O\n0.250000 0.138360 0.426785 O\n0.750000 0.386852 0.926055 O\n0.750000 0.860182 0.600779 O\n",
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{
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"structure_string": "Rb2 Mg1 Cu4 H5 S4 O20\n1.0\n9.746903 -0.316349 6.228648\n4.191061 4.770477 0.539873\n-1.503042 0.330781 8.307020\nRb Mg Cu H S O\n2 1 4 5 4 20\ndirect\n0.982568 0.484230 0.488076 Rb\n0.531337 0.507386 0.477607 Rb\n0.242008 0.405804 0.715441 Mg\n0.256007 0.987774 0.992199 Cu\n0.253911 0.471518 0.034912 Cu\n0.760051 0.990687 0.990592 Cu\n0.758902 0.486500 0.001967 Cu\n0.037631 0.455230 0.004385 H\n0.308356 0.706060 0.208906 H\n0.480061 0.520699 0.024729 H\n0.706909 0.301481 0.810441 H\n0.786208 0.723442 0.185970 H\n0.431884 0.085163 0.277791 S\n0.088042 0.908762 0.679496 S\n0.938727 0.060779 0.262094 S\n0.562290 0.933570 0.723236 S\n0.046361 0.137558 0.194987 O\n0.039646 0.760243 0.229715 O\n0.320973 0.195224 0.198662 O\n0.332961 0.180474 0.478283 O\n0.158007 0.340365 0.943551 O\n0.355411 0.644223 0.077403 O\n0.165976 0.857997 0.485624 O\n0.529076 0.178226 0.229405 O\n0.214927 0.755910 0.741968 O\n0.436303 0.244190 0.774098 O\n0.536459 0.784212 0.221392 O\n0.842637 0.143984 0.163842 O\n0.470163 0.827165 0.787065 O\n0.835988 0.192866 0.455474 O\n0.666582 0.336625 0.940117 O\n0.840916 0.658413 0.054846 O\n0.654390 0.832815 0.527965 O\n0.661300 0.867211 0.812718 O\n0.976823 0.202289 0.772709 O\n0.004495 0.784050 0.731550 O\n",
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{
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"structure_string": "Na5 Li1 Mn2 P2 C2 O14\n1.0\n8.987375 -0.000582 0.129369\n-0.000449 6.855514 0.000294\n0.059522 0.000219 5.194387\nNa Li Mn P C O\n5 1 2 2 2 14\ndirect\n0.253739 0.003978 0.253372 Na\n0.253737 0.495986 0.253396 Na\n0.741457 0.502450 0.740725 Na\n0.741449 0.997554 0.740779 Na\n0.913264 0.749999 0.233756 Na\n0.107167 0.249989 0.765962 Li\n0.356554 0.749735 0.776751 Mn\n0.633034 0.250316 0.219065 Mn\n0.406386 0.249961 0.711276 P\n0.585502 0.750061 0.282575 P\n0.059157 0.749962 0.728744 C\n0.951267 0.250012 0.281198 C\n0.082244 0.249972 0.381558 O\n0.116368 0.749924 0.956393 O\n0.148838 0.749949 0.527011 O\n0.311507 0.069745 0.796128 O\n0.311543 0.430170 0.796075 O\n0.426041 0.250061 0.411606 O\n0.427870 0.749930 0.167933 O\n0.564126 0.250078 0.827915 O\n0.567482 0.749949 0.583361 O\n0.677590 0.567420 0.196919 O\n0.677603 0.932729 0.196875 O\n0.833971 0.250052 0.436261 O\n0.935714 0.250023 0.032957 O\n0.916390 0.749994 0.701412 O\n",
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{
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0.661104 0.731356 Si\n0.070090 0.338896 0.231356 Si\n0.892089 0.715542 0.106136 Si\n0.607911 0.284458 0.606136 Si\n0.392089 0.784458 0.893864 Si\n0.107911 0.215542 0.393864 Si\n0.450710 0.700774 0.341376 P\n0.049290 0.299226 0.841376 P\n0.950710 0.799226 0.658624 P\n0.549290 0.200774 0.158624 P\n0.981672 0.806954 0.159213 P\n0.518328 0.193046 0.659213 P\n0.481672 0.693046 0.840787 P\n0.018328 0.306954 0.340787 P\n0.458932 0.807846 0.502460 H\n0.041068 0.192154 0.002460 H\n0.958932 0.692154 0.497540 H\n0.541068 0.307846 0.997540 H\n0.568118 0.825522 0.518418 H\n0.931882 0.174478 0.018418 H\n0.068118 0.674478 0.481582 H\n0.431882 0.325522 0.981582 H\n0.529807 0.726078 0.518110 H\n0.970193 0.273922 0.018110 H\n0.029807 0.773922 0.481890 H\n0.470193 0.226078 0.981890 H\n0.670004 0.687634 0.403312 H\n0.829996 0.312366 0.903312 H\n0.170004 0.812366 0.596688 H\n0.329996 0.187634 0.096688 H\n0.700945 0.789450 0.407892 H\n0.799055 0.210550 0.907892 H\n0.200945 0.710550 0.592108 H\n0.299055 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0.126228 H\n0.067170 0.385598 0.626228 H\n0.932830 0.885598 0.873772 H\n0.567170 0.114402 0.373772 H\n0.357323 0.667650 0.176754 H\n0.142677 0.332350 0.676754 H\n0.857323 0.832350 0.823246 H\n0.642677 0.167650 0.323246 H\n0.643166 0.614871 0.266023 H\n0.856834 0.385129 0.766023 H\n0.143166 0.885129 0.733977 H\n0.356834 0.114871 0.233977 H\n0.608538 0.576578 0.183850 H\n0.891462 0.423422 0.683850 H\n0.108538 0.923422 0.816150 H\n0.391462 0.076578 0.316150 H\n0.567732 0.536155 0.262871 H\n0.932268 0.463845 0.762871 H\n0.067732 0.963845 0.737129 H\n0.432268 0.036155 0.237129 H\n0.316521 0.527858 0.330650 H\n0.183479 0.472142 0.830650 H\n0.816521 0.972142 0.669350 H\n0.683479 0.027858 0.169350 H\n0.365993 0.456249 0.386783 H\n0.134007 0.543751 0.886783 H\n0.865993 0.043751 0.613217 H\n0.634007 0.956249 0.113217 H\n0.418228 0.488957 0.309315 H\n0.081772 0.511043 0.809315 H\n0.918228 0.011043 0.690685 H\n0.581772 0.988957 0.190685 H\n0.378827 0.662283 0.515370 H\n0.121173 0.337717 0.015370 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],
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"volume_molar": 8.832154275499835,
"formula_full": "Cd8 Si24 P8 H216 C72 I16",
"formula_reduced": "CdSi3PH27C9I2",
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"updated_at": "2021-11-28T01:35:10.043000Z",
"spacegroup": 19
},
{
"id": "mp-1221259",
"created_at": "2022-09-04T14:42:22.297112Z",
"structure_string": "Na3 Ca1 Mg1 Cr3 Si8 O24\n1.0\n8.880720 0.000000 0.000000\n0.000000 5.330280 0.000000\n0.000000 2.450966 9.321408\nNa Ca Mg Cr Si O\n3 1 1 3 8 24\ndirect\n0.797761 0.500000 0.500000 Na\n0.303207 0.000000 0.000000 Na\n0.696831 0.500000 0.000000 Na\n0.202266 0.000000 0.500000 Ca\n0.411779 0.500000 0.500000 Mg\n0.903349 0.000000 0.000000 Cr\n0.593254 0.000000 0.500000 Cr\n0.095471 0.500000 0.000000 Cr\n0.090451 0.690564 0.288719 Si\n0.591988 0.189323 0.790449 Si\n0.090451 0.309436 0.711281 Si\n0.591988 0.810677 0.209551 Si\n0.905977 0.808328 0.710342 Si\n0.410525 0.308402 0.207626 Si\n0.905977 0.191672 0.289658 Si\n0.410525 0.691598 0.792374 Si\n0.251532 0.701896 0.360750 O\n0.756549 0.195003 0.860924 O\n0.251532 0.298104 0.639250 O\n0.756549 0.804997 0.139076 O\n0.743452 0.802614 0.639489 O\n0.243827 0.305384 0.140638 O\n0.743452 0.197386 0.360511 O\n0.243827 0.694616 0.859362 O\n0.077743 0.773475 0.112588 O\n0.584420 0.266530 0.615338 O\n0.077743 0.226525 0.887412 O\n0.584420 0.733470 0.384662 O\n0.920498 0.725988 0.886323 O\n0.417185 0.216931 0.384069 O\n0.920498 0.274012 0.113677 O\n0.417185 0.783069 0.615931 O\n0.013314 0.398886 0.351270 O\n0.511913 0.902090 0.853943 O\n0.013314 0.601114 0.648730 O\n0.511913 0.097910 0.146057 O\n0.989440 0.094519 0.648577 O\n0.489227 0.596788 0.149747 O\n0.989440 0.905481 0.351423 O\n0.489227 0.403212 0.850253 O\n",
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],
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"formula_full": "Na3 Ca1 Mg1 Cr3 Si8 O24",
"formula_reduced": "Na3CaMgCr3(SiO3)8",
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"updated_at": "2021-11-28T01:35:47.592000Z",
"spacegroup": 3
}
]
}