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{
"id": "mp-626293",
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"structure_string": "Sr2 H32 O20\n1.0\n6.262166 0.000000 0.000000\n0.080921 6.473311 0.000000\n0.009311 0.125864 11.325900\nSr H O\n2 32 20\ndirect\n0.002804 0.011083 0.747746 Sr\n0.993903 0.998053 0.242890 Sr\n0.727437 0.383715 0.645507 H\n0.858200 0.310381 0.530956 H\n0.279213 0.620695 0.656363 H\n0.098628 0.671539 0.560325 H\n0.402210 0.284707 0.650728 H\n0.317673 0.151158 0.542264 H\n0.554030 0.961007 0.624780 H\n0.612127 0.719583 0.641586 H\n0.278450 0.383628 0.150423 H\n0.038764 0.456009 0.128531 H\n0.733104 0.612671 0.140913 H\n0.867334 0.689790 0.027902 H\n0.557732 0.039929 0.117762 H\n0.626476 0.274509 0.136160 H\n0.394231 0.734814 0.145957 H\n0.321429 0.863346 0.030700 H\n0.265391 0.627652 0.370123 H\n0.019855 0.572798 0.378272 H\n0.701511 0.422230 0.330449 H\n0.043634 0.307827 0.377331 H\n0.613929 0.734524 0.354717 H\n0.678448 0.864843 0.468258 H\n0.441793 0.034546 0.374247 H\n0.401843 0.271945 0.352616 H\n0.968744 0.560214 0.869002 H\n0.724399 0.620122 0.854983 H\n0.279943 0.396778 0.854075 H\n0.144345 0.314317 0.964608 H\n0.456156 0.966311 0.872341 H\n0.392435 0.727917 0.857839 H\n0.694563 0.145187 0.954924 H\n0.609546 0.282380 0.846399 H\n0.500197 0.505578 0.686984 O\n0.517468 0.493976 0.184214 O\n0.545051 0.485760 0.314508 O\n0.502529 0.506702 0.818913 O\n0.852999 0.298369 0.619122 O\n0.144758 0.705523 0.640238 O\n0.344516 0.143370 0.627976 O\n0.672025 0.857229 0.613065 O\n0.134571 0.330669 0.126919 O\n0.873460 0.677091 0.117281 O\n0.682718 0.134381 0.111263 O\n0.335851 0.872236 0.119947 O\n0.123424 0.690486 0.379620 O\n0.890266 0.330288 0.381113 O\n0.660015 0.874353 0.378555 O\n0.324485 0.142840 0.374318 O\n0.867223 0.678463 0.881206 O\n0.137477 0.332942 0.877757 O\n0.335231 0.868148 0.884494 O\n0.668626 0.138963 0.868458 O\n",
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"spacegroup": 1
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{
"id": "mp-756365",
"created_at": "2022-09-04T14:48:09.608843Z",
"structure_string": "Ca4 Ce4 O12\n1.0\n5.840719 0.000000 0.000000\n0.000000 6.062150 0.000000\n0.000000 0.000000 8.512602\nCa Ce O\n4 4 12\ndirect\n0.012145 0.949155 0.750000 Ca\n0.487855 0.449155 0.750000 Ca\n0.512145 0.550845 0.250000 Ca\n0.987855 0.050845 0.250000 Ca\n0.000000 0.500000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.130182 0.431353 0.250000 O\n0.187915 0.189098 0.569877 O\n0.187915 0.189098 0.930123 O\n0.312085 0.689098 0.569877 O\n0.312085 0.689098 0.930123 O\n0.369818 0.931353 0.250000 O\n0.630182 0.068647 0.750000 O\n0.687915 0.310902 0.069877 O\n0.687915 0.310902 0.430123 O\n0.812085 0.810902 0.069877 O\n0.812085 0.810902 0.430123 O\n0.869818 0.568647 0.750000 O\n",
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"density": 5.028686535488704,
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"formula_full": "Ca4 Ce4 O12",
"formula_reduced": "CaCeO3",
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{
"id": "mp-534870",
"created_at": "2022-09-04T14:48:09.900533Z",
"structure_string": "Na8 Ga6 Si6 B2 H8 O24\n1.0\n9.040778 0.000000 0.000000\n0.000000 9.040778 0.000000\n0.000000 0.000000 9.040778\nNa Ga Si B H O\n8 6 6 2 8 24\ndirect\n0.827881 0.827881 0.172119 Na\n0.827881 0.172119 0.827881 Na\n0.172119 0.827881 0.827881 Na\n0.172119 0.172119 0.172119 Na\n0.327881 0.327881 0.672119 Na\n0.327881 0.672119 0.327881 Na\n0.672119 0.327881 0.327881 Na\n0.672119 0.672119 0.672119 Na\n0.750000 0.000000 0.500000 Ga\n0.000000 0.500000 0.750000 Ga\n0.250000 0.000000 0.500000 Ga\n0.500000 0.250000 0.000000 Ga\n0.500000 0.750000 0.000000 Ga\n0.000000 0.500000 0.250000 Ga\n0.750000 0.500000 0.000000 Si\n0.000000 0.750000 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 B\n0.578513 0.578513 0.421487 H\n0.578513 0.421487 0.578513 H\n0.078513 0.078513 0.921487 H\n0.078513 0.921487 0.078513 H\n0.421487 0.578513 0.578513 H\n0.421487 0.421487 0.421487 H\n0.921487 0.921487 0.921487 H\n0.921487 0.078513 0.078513 H\n0.573603 0.866018 0.151203 O\n0.573603 0.133982 0.848797 O\n0.848797 0.573603 0.133982 O\n0.848797 0.426397 0.866018 O\n0.866018 0.151203 0.573603 O\n0.866018 0.848797 0.426397 O\n0.073603 0.348797 0.633982 O\n0.073603 0.651203 0.366018 O\n0.133982 0.848797 0.573603 O\n0.133982 0.151203 0.426397 O\n0.151203 0.573603 0.866018 O\n0.151203 0.426397 0.133982 O\n0.348797 0.366018 0.926397 O\n0.348797 0.633982 0.073603 O\n0.366018 0.073603 0.651203 O\n0.366018 0.926397 0.348797 O\n0.426397 0.866018 0.848797 O\n0.426397 0.133982 0.151203 O\n0.633982 0.073603 0.348797 O\n0.633982 0.926397 0.651203 O\n0.651203 0.366018 0.073603 O\n0.651203 0.633982 0.926397 O\n0.926397 0.348797 0.366018 O\n0.926397 0.651203 0.633982 O\n",
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"elements": [
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"formula_full": "Na8 Ga6 Si6 B2 H8 O24",
"formula_reduced": "Na4Ga3Si3B(HO3)4",
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{
"id": "mp-616140",
"created_at": "2022-09-04T14:48:09.123328Z",
"structure_string": "Cs20 Si4 As12\n1.0\n6.128944 0.000000 0.000000\n0.000000 14.754555 0.000000\n0.000000 0.000000 16.206908\nCs Si As\n20 4 12\ndirect\n0.750000 0.644715 0.952231 Cs\n0.250000 0.777452 0.704672 Cs\n0.750000 0.935363 0.048708 Cs\n0.750000 0.949519 0.345942 Cs\n0.250000 0.355285 0.047769 Cs\n0.250000 0.855285 0.452231 Cs\n0.750000 0.144715 0.547769 Cs\n0.750000 0.435363 0.451292 Cs\n0.250000 0.050481 0.654058 Cs\n0.250000 0.277452 0.795328 Cs\n0.750000 0.380491 0.686542 Cs\n0.250000 0.564637 0.548708 Cs\n0.750000 0.222548 0.295328 Cs\n0.750000 0.722548 0.204672 Cs\n0.750000 0.449519 0.154058 Cs\n0.250000 0.064637 0.951292 Cs\n0.250000 0.619509 0.313458 Cs\n0.750000 0.880491 0.813458 Cs\n0.250000 0.550481 0.845942 Cs\n0.250000 0.119509 0.186542 Cs\n0.750000 0.739847 0.566060 Si\n0.750000 0.239847 0.933940 Si\n0.250000 0.260153 0.433940 Si\n0.250000 0.760153 0.066060 Si\n0.750000 0.395527 0.911775 As\n0.250000 0.863750 0.174192 As\n0.750000 0.636250 0.674192 As\n0.750000 0.692616 0.429544 As\n0.750000 0.895527 0.588225 As\n0.250000 0.604473 0.088225 As\n0.250000 0.807384 0.929544 As\n0.250000 0.307384 0.570456 As\n0.750000 0.136250 0.825808 As\n0.250000 0.104473 0.411775 As\n0.250000 0.363750 0.325808 As\n0.750000 0.192616 0.070456 As\n",
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{
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{
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"structure_string": "Rb16 Ta8 S44\n1.0\n7.843736 0.000000 0.000000\n0.000000 13.860151 0.000000\n0.000000 0.000000 18.669585\nRb Ta S\n16 8 44\ndirect\n0.813852 0.085479 0.026873 Rb\n0.186148 0.914521 0.526873 Rb\n0.186148 0.585479 0.026873 Rb\n0.813852 0.414521 0.526873 Rb\n0.330716 0.269059 0.126748 Rb\n0.669284 0.730941 0.626748 Rb\n0.669284 0.769059 0.126748 Rb\n0.210283 0.539663 0.728703 Rb\n0.795290 0.786166 0.378932 Rb\n0.204710 0.213834 0.878932 Rb\n0.204710 0.286166 0.378932 Rb\n0.795290 0.713834 0.878932 Rb\n0.330716 0.230941 0.626748 Rb\n0.789717 0.039663 0.728703 Rb\n0.789717 0.460337 0.228703 Rb\n0.210283 0.960337 0.228703 Rb\n0.741245 0.437024 0.970600 Ta\n0.258755 0.562976 0.470600 Ta\n0.258755 0.937024 0.970600 Ta\n0.741245 0.062976 0.470600 Ta\n0.794667 0.380113 0.789716 Ta\n0.205333 0.619887 0.289716 Ta\n0.205333 0.880113 0.789716 Ta\n0.794667 0.119887 0.289716 Ta\n0.748170 0.576607 0.032879 S\n0.251830 0.423393 0.532879 S\n0.251830 0.076607 0.032879 S\n0.748170 0.923393 0.532879 S\n0.542264 0.477995 0.871173 S\n0.457736 0.522005 0.371173 S\n0.457736 0.977995 0.871173 S\n0.542264 0.022005 0.371173 S\n0.014249 0.184002 0.227647 S\n0.985751 0.815998 0.727647 S\n0.985751 0.684002 0.227647 S\n0.014249 0.315998 0.727647 S\n0.601990 0.257955 0.307092 S\n0.398010 0.742045 0.807092 S\n0.398010 0.757955 0.307092 S\n0.601990 0.242045 0.807092 S\n0.772590 0.236461 0.391585 S\n0.251257 0.038968 0.734033 S\n0.227410 0.736461 0.391585 S\n0.772590 0.263539 0.891585 S\n0.962715 0.023682 0.378685 S\n0.037285 0.976318 0.878685 S\n0.037285 0.523682 0.378685 S\n0.962715 0.476318 0.878685 S\n0.604281 0.071187 0.187613 S\n0.395719 0.928813 0.687613 S\n0.395719 0.571187 0.187613 S\n0.604281 0.428813 0.687613 S\n0.748743 0.961032 0.234033 S\n0.739420 0.322880 0.075055 S\n0.251257 0.461032 0.234033 S\n0.748743 0.538968 0.734033 S\n0.435498 0.098326 0.456705 S\n0.564502 0.901674 0.956705 S\n0.564502 0.598326 0.456705 S\n0.435498 0.401674 0.956705 S\n0.973775 0.159210 0.524059 S\n0.026225 0.840790 0.024059 S\n0.026225 0.659210 0.524059 S\n0.973775 0.340790 0.024059 S\n0.739420 0.177120 0.575055 S\n0.260580 0.822880 0.075055 S\n0.260580 0.677120 0.575055 S\n0.227410 0.763539 0.891585 S\n",
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{
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{
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]
}