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{
"id": "mp-1392045",
"created_at": "2022-09-04T14:42:47.387204Z",
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{
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"formula_full": "K4 Y8 Cl28",
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{
"id": "mp-1206834",
"created_at": "2022-09-04T14:42:47.421767Z",
"structure_string": "Rb3 Au1 F6\n1.0\n-0.214070 1.218298 -7.255212\n-4.033698 -7.389481 0.667493\n-3.167082 6.585164 -0.869883\nRb Au F\n3 1 6\ndirect\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.790971 0.074265 0.269685 F\n0.209029 0.925735 0.730315 F\n0.784176 0.796749 0.668172 F\n0.215824 0.203251 0.331828 F\n0.044142 0.767467 0.982686 F\n0.955858 0.232533 0.017314 F\n",
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"formula_full": "Rb3 Au1 F6",
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{
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"created_at": "2022-09-04T14:42:47.431202Z",
"structure_string": "Ca4 H8\n1.0\n3.787502 0.000000 0.000000\n0.000000 5.360712 0.000000\n0.000000 0.000000 6.683019\nCa H\n4 8\ndirect\n0.250000 0.748460 0.589310 Ca\n0.250000 0.248460 0.910690 Ca\n0.750000 0.251540 0.410690 Ca\n0.750000 0.751540 0.089310 Ca\n0.250000 0.760057 0.919242 H\n0.250000 0.260057 0.580758 H\n0.750000 0.239943 0.080758 H\n0.750000 0.739943 0.419242 H\n0.250000 0.998219 0.255522 H\n0.250000 0.498219 0.244478 H\n0.750000 0.001781 0.744478 H\n0.750000 0.501781 0.755522 H\n",
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"updated_at": "2021-11-28T01:36:08.722000Z",
"spacegroup": 62
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{
"id": "mp-28514",
"created_at": "2022-09-04T14:42:47.379111Z",
"structure_string": "Ba2 Br4 O12\n1.0\n0.000000 6.217872 6.883654\n4.040721 0.000000 6.883654\n4.040721 6.217872 0.000000\nBa Br O\n2 4 12\ndirect\n0.749210 0.250790 0.250790 Ba\n0.999210 0.500790 0.500790 Ba\n0.483115 0.474308 0.905837 Br\n0.136740 0.905837 0.474308 Br\n0.344163 0.113260 0.766885 Br\n0.775692 0.766885 0.113260 Br\n0.548271 0.346023 0.698875 O\n0.406832 0.698875 0.346023 O\n0.551125 0.843168 0.701729 O\n0.903977 0.701729 0.843168 O\n0.125423 0.135464 0.834231 O\n0.904883 0.834231 0.135464 O\n0.860891 0.524259 0.217613 O\n0.397237 0.217613 0.524259 O\n0.032387 0.852763 0.389109 O\n0.725741 0.389109 0.852763 O\n0.114536 0.124577 0.345117 O\n0.415769 0.345117 0.124577 O\n",
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"formula_full": "Ba2 Br4 O12",
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"spacegroup": 43
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{
"id": "mp-866824",
"created_at": "2022-09-04T14:42:47.415052Z",
"structure_string": "Ca4 Sn2 S8\n1.0\n3.975926 0.000000 0.000000\n0.000000 7.084992 0.000000\n0.000000 0.000000 11.519154\nCa Sn S\n4 2 8\ndirect\n0.500000 0.414638 0.814899 Ca\n0.500000 0.585362 0.185101 Ca\n0.500000 0.914638 0.685101 Ca\n0.500000 0.085362 0.314899 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.264771 0.552360 S\n0.500000 0.735229 0.447640 S\n0.500000 0.764771 0.947640 S\n0.500000 0.235229 0.052360 S\n0.000000 0.132287 0.797957 S\n0.000000 0.867713 0.202043 S\n0.000000 0.632287 0.702043 S\n0.000000 0.367713 0.297957 S\n",
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"density": 3.348080681958375,
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"volume": 324.48770164215824,
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{
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"structure_string": "Ga10 Fe12\n1.0\n3.958899 5.019779 0.000000\n-3.958899 5.019779 0.000000\n0.000000 2.425019 7.296348\nGa Fe\n10 12\ndirect\n0.321522 0.321522 0.655030 Ga\n0.841618 0.234578 0.794913 Ga\n0.131123 0.131123 0.401402 Ga\n0.158382 0.765422 0.205087 Ga\n0.234578 0.841618 0.794913 Ga\n0.622718 0.622718 0.020121 Ga\n0.678478 0.678478 0.344970 Ga\n0.765422 0.158382 0.205087 Ga\n0.868877 0.868877 0.598598 Ga\n0.377282 0.377282 0.979879 Ga\n0.869052 0.869052 0.013193 Fe\n0.603448 0.603448 0.690555 Fe\n0.500000 0.000000 0.500000 Fe\n0.720328 0.279672 0.500000 Fe\n0.993025 0.456886 0.170142 Fe\n0.006975 0.543114 0.829858 Fe\n0.396552 0.396552 0.309445 Fe\n0.456886 0.993025 0.170142 Fe\n0.130948 0.130948 0.986807 Fe\n0.279672 0.720328 0.500000 Fe\n0.543114 0.006975 0.829858 Fe\n0.000000 0.500000 0.500000 Fe\n",
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{
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"structure_string": "Ta1 Ti1 Nb2\n1.0\n-4.672621 5.614219 7.933111\n4.672621 -5.614219 7.933111\n4.672621 5.614219 -7.933111\nTa Ti Nb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ti\n0.000000 0.245714 0.245714 Nb\n0.000000 0.754286 0.754286 Nb\n",
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{
"id": "mp-773444",
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"structure_string": "Mg4 V12 O28\n1.0\n5.332934 0.000000 0.000000\n0.000000 10.230906 0.000000\n0.000000 0.000000 10.234264\nMg V O\n4 12 28\ndirect\n0.845340 0.078092 0.250000 Mg\n0.345340 0.421908 0.750000 Mg\n0.154660 0.921908 0.750000 Mg\n0.654660 0.578092 0.250000 Mg\n0.202774 0.682778 0.972675 V\n0.702774 0.817222 0.027325 V\n0.797226 0.317222 0.472675 V\n0.297226 0.182778 0.527325 V\n0.191932 0.782294 0.250000 V\n0.691932 0.717706 0.750000 V\n0.808068 0.217706 0.750000 V\n0.308068 0.282294 0.250000 V\n0.702774 0.817222 0.472675 V\n0.202774 0.682778 0.527325 V\n0.297226 0.182778 0.972675 V\n0.797226 0.317222 0.027325 V\n0.557168 0.287860 0.879148 O\n0.057168 0.212140 0.120852 O\n0.442832 0.712140 0.379148 O\n0.942832 0.787860 0.620852 O\n0.442832 0.712140 0.120852 O\n0.942832 0.787860 0.879148 O\n0.557168 0.287860 0.620852 O\n0.057168 0.212140 0.379148 O\n0.041208 0.287339 0.881608 O\n0.541208 0.212661 0.118392 O\n0.958792 0.712661 0.381608 O\n0.458792 0.787339 0.618392 O\n0.958792 0.712661 0.118392 O\n0.458792 0.787339 0.881608 O\n0.041208 0.287339 0.618392 O\n0.541208 0.212661 0.381608 O\n0.333731 0.444386 0.250000 O\n0.833731 0.055614 0.750000 O\n0.666269 0.555614 0.750000 O\n0.166269 0.944386 0.250000 O\n0.278579 0.035698 0.595693 O\n0.778579 0.464302 0.404307 O\n0.721421 0.964302 0.095693 O\n0.221421 0.535698 0.904307 O\n0.721421 0.964302 0.404307 O\n0.221421 0.535698 0.595693 O\n0.278579 0.035698 0.904307 O\n0.778579 0.464302 0.095693 O\n",
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{
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"structure_string": "Gd12 Mo4 O28\n1.0\n7.570731 0.000000 0.000000\n0.000000 7.579282 0.000000\n0.000000 0.000000 10.660931\nGd Mo O\n12 4 28\ndirect\n0.027992 0.508708 0.742810 Gd\n0.472008 0.491292 0.242810 Gd\n0.527992 0.991292 0.257190 Gd\n0.972008 0.008708 0.757190 Gd\n0.276502 0.254419 0.967057 Gd\n0.223498 0.745581 0.467057 Gd\n0.776502 0.245581 0.032943 Gd\n0.723498 0.754419 0.532943 Gd\n0.300545 0.246123 0.513966 Gd\n0.199455 0.753877 0.013966 Gd\n0.800545 0.253877 0.486034 Gd\n0.699455 0.746123 0.986034 Gd\n0.502773 0.500234 0.750680 Mo\n0.997227 0.499766 0.250680 Mo\n0.002773 0.999766 0.249320 Mo\n0.497227 0.000234 0.749320 Mo\n0.410576 0.247697 0.742274 O\n0.089424 0.752303 0.242274 O\n0.910576 0.252303 0.257726 O\n0.589424 0.747697 0.757726 O\n0.220511 0.463989 0.367747 O\n0.279489 0.536011 0.867747 O\n0.720511 0.036011 0.632253 O\n0.779489 0.963989 0.132253 O\n0.872496 0.549896 0.400327 O\n0.627504 0.450104 0.900327 O\n0.372496 0.950104 0.599673 O\n0.127504 0.049896 0.099673 O\n0.169957 0.464062 0.116107 O\n0.330043 0.535938 0.616107 O\n0.669957 0.035938 0.883893 O\n0.830043 0.964062 0.383893 O\n0.788067 0.529192 0.133798 O\n0.711933 0.470808 0.633798 O\n0.288067 0.970808 0.866202 O\n0.211933 0.029192 0.366202 O\n0.040355 0.246477 0.614531 O\n0.459645 0.753523 0.114531 O\n0.540355 0.253523 0.385469 O\n0.959645 0.746477 0.885469 O\n0.994731 0.262796 0.880955 O\n0.505269 0.737204 0.380955 O\n0.494731 0.237204 0.119045 O\n0.005269 0.762796 0.619045 O\n",
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{
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{
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"structure_string": "Ca12 Al16 Co4 O40\n1.0\n5.177897 0.000000 0.000000\n0.000000 10.787381 0.000000\n0.000000 0.000000 16.942460\nCa Al Co O\n12 16 4 40\ndirect\n0.295142 0.343955 0.607069 Ca\n0.704858 0.843955 0.392931 Ca\n0.295142 0.843955 0.892931 Ca\n0.704858 0.343955 0.107069 Ca\n0.299247 0.991467 0.610165 Ca\n0.700753 0.491467 0.389835 Ca\n0.299247 0.491467 0.889835 Ca\n0.700753 0.991467 0.110165 Ca\n0.721794 0.182288 0.290913 Ca\n0.278206 0.682288 0.709087 Ca\n0.721794 0.682288 0.209087 Ca\n0.278206 0.182288 0.790913 Ca\n0.634407 0.168874 0.470115 Al\n0.365593 0.668874 0.529885 Al\n0.634407 0.668874 0.029885 Al\n0.365593 0.168874 0.970115 Al\n0.744293 0.172270 0.664024 Al\n0.255707 0.672270 0.335976 Al\n0.744293 0.672270 0.835976 Al\n0.255707 0.172270 0.164024 Al\n0.194538 0.424126 0.248159 Al\n0.805462 0.924126 0.751841 Al\n0.194538 0.924126 0.251841 Al\n0.805462 0.424126 0.748159 Al\n0.132403 0.022532 0.423784 Al\n0.867597 0.522532 0.576216 Al\n0.132403 0.522532 0.076216 Al\n0.867597 0.022532 0.923784 Al\n0.140414 0.320898 0.421116 Co\n0.859586 0.820898 0.578884 Co\n0.140414 0.820898 0.078884 Co\n0.859586 0.320898 0.921116 Co\n0.080871 0.671689 0.833751 O\n0.919129 0.171689 0.166249 O\n0.080871 0.171689 0.666249 O\n0.919129 0.671689 0.333751 O\n0.426196 0.170497 0.071869 O\n0.573804 0.670497 0.928131 O\n0.426196 0.670497 0.428131 O\n0.573804 0.170497 0.571869 O\n0.965189 0.661771 0.056011 O\n0.034811 0.161771 0.943989 O\n0.965189 0.161771 0.443989 O\n0.034811 0.661771 0.556011 O\n0.400414 0.304282 0.210915 O\n0.599586 0.804282 0.789085 O\n0.400414 0.804282 0.289085 O\n0.599586 0.304282 0.710915 O\n0.014767 0.416292 0.007251 O\n0.985233 0.916292 0.992749 O\n0.014767 0.916292 0.492749 O\n0.985233 0.416292 0.507251 O\n0.000516 0.484854 0.170325 O\n0.999484 0.984854 0.829675 O\n0.000516 0.984854 0.329675 O\n0.999484 0.484854 0.670325 O\n0.473719 0.537032 0.073151 O\n0.526281 0.037032 0.926849 O\n0.473719 0.037032 0.426849 O\n0.526281 0.537032 0.573151 O\n0.399704 0.042904 0.213670 O\n0.600296 0.542904 0.786330 O\n0.399704 0.542904 0.286330 O\n0.600296 0.042904 0.713670 O\n0.978415 0.863398 0.181027 O\n0.021585 0.363398 0.818973 O\n0.978415 0.363398 0.318973 O\n0.021585 0.863398 0.681027 O\n0.511474 0.797370 0.083758 O\n0.488526 0.297370 0.916242 O\n0.511474 0.297370 0.416242 O\n0.488526 0.797370 0.583758 O\n",
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]
}