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{
"id": "mp-22855",
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"structure_string": "Hg4 Cl8\n1.0\n4.367340 0.000000 0.000000\n0.000000 6.603722 0.000000\n0.000000 0.000000 13.584397\nHg Cl\n4 8\ndirect\n0.557482 0.750000 0.626067 Hg\n0.057482 0.250000 0.873933 Hg\n0.442518 0.250000 0.373933 Hg\n0.942518 0.750000 0.126067 Hg\n0.275466 0.750000 0.993319 Cl\n0.775466 0.250000 0.506681 Cl\n0.724534 0.250000 0.006681 Cl\n0.224534 0.750000 0.493319 Cl\n0.610747 0.750000 0.259254 Cl\n0.110747 0.250000 0.240746 Cl\n0.389253 0.250000 0.740746 Cl\n0.889253 0.750000 0.759254 Cl\n",
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{
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"formula_full": "Na8 Mo8 O28",
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"spacegroup": 64
},
{
"id": "mp-17825",
"created_at": "2022-09-04T14:46:29.727675Z",
"structure_string": "Sr8 Si4 O16\n1.0\n5.682726 0.000000 0.000000\n0.000000 7.142055 0.000000\n0.000000 0.000000 9.943806\nSr Si O\n8 4 16\ndirect\n0.250000 0.999678 0.697162 Sr\n0.750000 0.000322 0.302838 Sr\n0.250000 0.499678 0.802838 Sr\n0.750000 0.500322 0.197162 Sr\n0.250000 0.657323 0.428877 Sr\n0.750000 0.342677 0.571123 Sr\n0.250000 0.157323 0.071123 Sr\n0.750000 0.842677 0.928877 Sr\n0.250000 0.220183 0.419481 Si\n0.750000 0.779817 0.580519 Si\n0.250000 0.720183 0.080519 Si\n0.750000 0.279817 0.919481 Si\n0.987778 0.702158 0.656898 O\n0.487778 0.297842 0.343102 O\n0.512222 0.202158 0.843102 O\n0.012222 0.797842 0.156898 O\n0.012222 0.297842 0.343102 O\n0.512222 0.702158 0.656898 O\n0.487778 0.797842 0.156898 O\n0.987778 0.202158 0.843102 O\n0.250000 0.319017 0.571516 O\n0.750000 0.680983 0.428484 O\n0.250000 0.819017 0.928484 O\n0.750000 0.180983 0.071516 O\n0.750000 0.508045 0.929300 O\n0.250000 0.491955 0.070700 O\n0.750000 0.008045 0.570700 O\n0.250000 0.991955 0.429300 O\n",
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"formula_full": "Sr8 Si4 O16",
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"formula_anonymous": "AB2C4",
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{
"id": "mp-1034549",
"created_at": "2022-09-04T14:46:29.288845Z",
"structure_string": "Mg14 V1 Sn1 O16\n1.0\n8.689128 0.000000 0.000000\n0.000000 8.689128 0.000000\n0.000000 -0.000000 4.371805\nMg V Sn O\n14 1 1 16\ndirect\n0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.249885 0.500000 Mg\n0.000000 0.750115 0.500000 Mg\n0.500000 0.240839 0.500000 Mg\n0.500000 0.759161 0.500000 Mg\n0.249885 0.000000 0.500000 Mg\n0.240839 0.500000 0.500000 Mg\n0.750115 -0.000000 0.500000 Mg\n0.759161 0.500000 0.500000 Mg\n0.245924 0.245924 0.000000 Mg\n0.245924 0.754076 0.000000 Mg\n0.754076 0.245924 -0.000000 Mg\n0.754076 0.754076 -0.000000 Mg\n0.000000 0.000000 -0.000000 V\n0.500000 0.500000 -0.000000 Sn\n0.251254 0.000000 -0.000000 O\n0.228457 0.500000 -0.000000 O\n0.748746 -0.000000 -0.000000 O\n0.771543 0.500000 0.000000 O\n0.249985 0.249985 0.500000 O\n0.249985 0.750015 0.500000 O\n0.750015 0.249985 0.500000 O\n0.750015 0.750015 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.251254 -0.000000 O\n-0.000000 0.748746 0.000000 O\n0.500000 0.228457 0.000000 O\n0.500000 0.771543 -0.000000 O\n",
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"elements": [
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],
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"density": 3.8531395876728443,
"density_atomic": 0.09694754280919501,
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"formula_full": "Mg14 V1 Sn1 O16",
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"formula_anonymous": "ABC14D16",
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"updated_at": "2021-11-28T01:37:40.531000Z",
"spacegroup": 123
},
{
"id": "mp-1209492",
"created_at": "2022-09-04T14:46:32.929701Z",
"structure_string": "Rb12 Ho4 Cl24\n1.0\n4.008605 13.091499 0.000000\n-4.008605 13.091499 0.000000\n0.000000 2.143473 12.800092\nRb Ho Cl\n12 4 24\ndirect\n0.302619 0.796336 0.067014 Rb\n0.697381 0.203664 0.932986 Rb\n0.203664 0.697381 0.432986 Rb\n0.796336 0.302619 0.567014 Rb\n0.465765 0.841567 0.355809 Rb\n0.534235 0.158433 0.644191 Rb\n0.158433 0.534235 0.144191 Rb\n0.841567 0.465765 0.855809 Rb\n0.650938 0.025508 0.299410 Rb\n0.349062 0.974492 0.700590 Rb\n0.974492 0.349062 0.200590 Rb\n0.025508 0.650938 0.799410 Rb\n0.783189 0.216811 0.250000 Ho\n0.216811 0.783189 0.750000 Ho\n0.500000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.622270 0.723355 0.081352 Cl\n0.377730 0.276645 0.918648 Cl\n0.276645 0.377730 0.418648 Cl\n0.723355 0.622270 0.581352 Cl\n0.496169 0.386647 0.179689 Cl\n0.503831 0.613353 0.820311 Cl\n0.613353 0.503831 0.320311 Cl\n0.386647 0.496169 0.679689 Cl\n0.782332 0.863520 0.034874 Cl\n0.217668 0.136480 0.965126 Cl\n0.136480 0.217668 0.465126 Cl\n0.863520 0.782332 0.534874 Cl\n0.914300 0.968269 0.695503 Cl\n0.085700 0.031731 0.304497 Cl\n0.031731 0.085700 0.804497 Cl\n0.968269 0.914300 0.195503 Cl\n0.717210 0.166879 0.434450 Cl\n0.282790 0.833121 0.565550 Cl\n0.833121 0.282790 0.065550 Cl\n0.166879 0.717210 0.934450 Cl\n0.360738 0.140157 0.185503 Cl\n0.639262 0.859843 0.814497 Cl\n0.859843 0.639262 0.314497 Cl\n0.140157 0.360738 0.685503 Cl\n",
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"spacegroup": 15
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{
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"structure_string": "Ca6 U2 O12\n1.0\n4.747529 -4.850443 0.000000\n4.747529 4.850443 0.000000\n-0.208060 0.000000 6.783991\nCa U O\n6 2 12\ndirect\n0.939784 0.444194 0.749584 Ca\n0.749584 0.939784 0.444194 Ca\n0.555806 0.250416 0.060216 Ca\n0.250416 0.060216 0.555806 Ca\n0.060216 0.555806 0.250416 Ca\n0.444194 0.749584 0.939784 Ca\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.293582 0.063609 0.926303 O\n0.063609 0.926303 0.293582 O\n0.926303 0.293582 0.063609 O\n0.706418 0.936391 0.073697 O\n0.936391 0.073697 0.706418 O\n0.073697 0.706418 0.936391 O\n0.205906 0.413148 0.541558 O\n0.413148 0.541558 0.205906 O\n0.458442 0.794094 0.586852 O\n0.586852 0.458442 0.794094 O\n0.794094 0.586852 0.458442 O\n0.541558 0.205906 0.413148 O\n",
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{
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"created_at": "2022-09-04T14:46:29.336023Z",
"structure_string": "Li12 Fe8 P12 O48\n1.0\n8.736508 0.000000 0.000000\n0.000000 8.677536 0.000000\n0.000000 8.595844 12.190975\nLi Fe P O\n12 8 12 48\ndirect\n0.921252 0.375773 0.699958 Li\n0.078748 0.624227 0.300042 Li\n0.701470 0.672233 0.240452 Li\n0.774698 0.972399 0.819943 Li\n0.274698 0.027601 0.680057 Li\n0.201470 0.327767 0.259548 Li\n0.578748 0.375773 0.199958 Li\n0.421252 0.624227 0.800042 Li\n0.798530 0.672233 0.740452 Li\n0.298530 0.327767 0.759548 Li\n0.225302 0.027601 0.180057 Li\n0.725302 0.972399 0.319943 Li\n0.531140 0.360090 0.394541 Fe\n0.031140 0.639910 0.105459 Fe\n0.459424 0.862040 0.892640 Fe\n0.959424 0.137960 0.607360 Fe\n0.040576 0.862040 0.392640 Fe\n0.540576 0.137960 0.107360 Fe\n0.968860 0.360090 0.894541 Fe\n0.468860 0.639910 0.605459 Fe\n0.115717 0.747446 0.648989 P\n0.397438 0.046293 0.350892 P\n0.252425 0.457283 0.006951 P\n0.747575 0.542717 0.993049 P\n0.602562 0.953707 0.649108 P\n0.884283 0.252554 0.351011 P\n0.102562 0.046293 0.850892 P\n0.384283 0.747446 0.148989 P\n0.752425 0.542717 0.493049 P\n0.615717 0.252554 0.851011 P\n0.897438 0.953707 0.149108 P\n0.247575 0.457283 0.506951 P\n0.832263 0.737787 0.433081 O\n0.408281 0.825962 0.027987 O\n0.217500 0.673544 0.184100 O\n0.372895 0.467661 0.431566 O\n0.591224 0.096472 0.831869 O\n0.688728 0.523691 0.402811 O\n0.889460 0.772670 0.150320 O\n0.866941 0.382204 0.569527 O\n0.133059 0.617796 0.430473 O\n0.110540 0.227330 0.849680 O\n0.311272 0.476309 0.597189 O\n0.408776 0.903528 0.168131 O\n0.627105 0.532339 0.568434 O\n0.782500 0.326456 0.815900 O\n0.591719 0.174038 0.972013 O\n0.020586 0.911622 0.236272 O\n0.735594 0.970108 0.186864 O\n0.979414 0.088378 0.763728 O\n0.943121 0.129572 0.038573 O\n0.496032 0.413529 0.780606 O\n0.996032 0.586471 0.719394 O\n0.443121 0.870428 0.461427 O\n0.332263 0.262213 0.066919 O\n0.235594 0.029892 0.313136 O\n0.091719 0.825962 0.527987 O\n0.520586 0.088378 0.263728 O\n0.282500 0.673544 0.684100 O\n0.127105 0.467661 0.931566 O\n0.811272 0.523691 0.902811 O\n0.610540 0.772670 0.650320 O\n0.908776 0.096472 0.331869 O\n0.633059 0.382204 0.069527 O\n0.366941 0.617796 0.930473 O\n0.091224 0.903528 0.668131 O\n0.389460 0.227330 0.349680 O\n0.188728 0.476309 0.097189 O\n0.872895 0.532339 0.068434 O\n0.717500 0.326456 0.315900 O\n0.479414 0.911622 0.736272 O\n0.908281 0.174038 0.472013 O\n0.264406 0.029892 0.813136 O\n0.667737 0.737787 0.933081 O\n0.556879 0.129572 0.538573 O\n0.003968 0.413529 0.280606 O\n0.503968 0.586471 0.219394 O\n0.056879 0.870428 0.961427 O\n0.167737 0.262213 0.566919 O\n0.764406 0.970108 0.686864 O\n",
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{
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{
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}