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{
"id": "mp-649033",
"created_at": "2022-09-04T14:39:43.600382Z",
"structure_string": "Sr10 In4 Sb12\n1.0\n4.735054 0.000000 0.000000\n0.000000 12.856693 0.000000\n0.000000 0.000000 14.991026\nSr In Sb\n10 4 12\ndirect\n0.500000 0.088420 0.750135 Sr\n0.500000 0.174131 0.017367 Sr\n0.500000 0.411580 0.250135 Sr\n0.500000 0.825869 0.982633 Sr\n0.500000 0.325869 0.517367 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.588420 0.749865 Sr\n0.500000 0.911580 0.249865 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.674131 0.482633 Sr\n0.000000 0.329671 0.713522 In\n0.000000 0.170329 0.213522 In\n0.000000 0.670329 0.286478 In\n0.000000 0.829671 0.786478 In\n0.000000 0.653155 0.905290 Sb\n0.500000 0.662864 0.175375 Sb\n0.000000 0.023738 0.905250 Sb\n0.000000 0.476262 0.405250 Sb\n0.500000 0.337136 0.824625 Sb\n0.500000 0.162864 0.324625 Sb\n0.000000 0.346845 0.094710 Sb\n0.000000 0.153155 0.594710 Sb\n0.000000 0.976262 0.094750 Sb\n0.500000 0.837136 0.675375 Sb\n0.000000 0.523738 0.594750 Sb\n0.000000 0.846845 0.405290 Sb\n",
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{
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"structure_string": "Dy2 Ga4 Pd2\n1.0\n2.225609 -5.100525 0.000000\n2.225609 5.100525 0.000000\n0.000000 0.000000 6.592644\nDy Ga Pd\n2 4 2\ndirect\n0.587984 0.412016 0.250000 Dy\n0.412016 0.587984 0.750000 Dy\n0.872286 0.127714 0.446813 Ga\n0.127714 0.872286 0.553187 Ga\n0.872286 0.127714 0.053187 Ga\n0.127714 0.872286 0.946813 Ga\n0.300156 0.699844 0.250000 Pd\n0.699844 0.300156 0.750000 Pd\n",
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},
{
"id": "mp-778977",
"created_at": "2022-09-04T14:39:43.557076Z",
"structure_string": "Ca4 As8 H4 F52\n1.0\n9.482749 0.000000 0.000000\n0.000000 9.717930 0.000000\n0.000000 2.552435 10.392066\nCa As H F\n4 8 4 52\ndirect\n0.168262 0.752801 0.500457 Ca\n0.331738 0.752801 0.000457 Ca\n0.668262 0.247199 0.999543 Ca\n0.831738 0.247199 0.499543 Ca\n0.655953 0.990634 0.813579 As\n0.844047 0.990634 0.313579 As\n0.344723 0.489435 0.814161 As\n0.844723 0.510565 0.685839 As\n0.155277 0.489435 0.314161 As\n0.655277 0.510565 0.185839 As\n0.155953 0.009366 0.686421 As\n0.344047 0.009366 0.186421 As\n0.024120 0.688904 0.949059 H\n0.475880 0.688904 0.449059 H\n0.524120 0.311096 0.550941 H\n0.975880 0.311096 0.050941 H\n0.534578 0.888983 0.928032 F\n0.563228 0.953526 0.686077 F\n0.276148 0.896695 0.795837 F\n0.246682 0.961594 0.554193 F\n0.768835 0.847065 0.830864 F\n0.052168 0.854795 0.689626 F\n0.965422 0.888983 0.428032 F\n0.936772 0.953526 0.186077 F\n0.223852 0.896695 0.295837 F\n0.253318 0.961594 0.054193 F\n0.731165 0.847065 0.330864 F\n0.447832 0.854795 0.189626 F\n0.426728 0.745440 0.495174 F\n0.449172 0.641381 0.812094 F\n0.733951 0.655017 0.670509 F\n0.224205 0.600991 0.705039 F\n0.252117 0.538292 0.945653 F\n0.965668 0.613744 0.572908 F\n0.937837 0.547887 0.815566 F\n0.073272 0.745440 0.995174 F\n0.050828 0.641381 0.312094 F\n0.766049 0.655017 0.170509 F\n0.275795 0.600991 0.205039 F\n0.247883 0.538292 0.445653 F\n0.437837 0.452113 0.684434 F\n0.465668 0.386256 0.927092 F\n0.534332 0.613744 0.072908 F\n0.562163 0.547887 0.315566 F\n0.752117 0.461708 0.554347 F\n0.724205 0.399009 0.794961 F\n0.233951 0.344983 0.829491 F\n0.949172 0.358619 0.687906 F\n0.926728 0.254560 0.004826 F\n0.062163 0.452113 0.184434 F\n0.034332 0.386256 0.427092 F\n0.747883 0.461708 0.054347 F\n0.775795 0.399009 0.294961 F\n0.266049 0.344983 0.329491 F\n0.550828 0.358619 0.187906 F\n0.573272 0.254560 0.504826 F\n0.552168 0.145205 0.810374 F\n0.268835 0.152935 0.669136 F\n0.746682 0.038406 0.945807 F\n0.776148 0.103305 0.704163 F\n0.063228 0.046474 0.813923 F\n0.034578 0.111017 0.571968 F\n0.947832 0.145205 0.310374 F\n0.231165 0.152935 0.169136 F\n0.753318 0.038406 0.445807 F\n0.723852 0.103305 0.204163 F\n0.436772 0.046474 0.313923 F\n0.465422 0.111017 0.071968 F\n",
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"density_atomic": 0.07100664525533817,
"volume": 957.6568468412167,
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"formula_full": "Ca4 As8 H4 F52",
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"energy": -341.78115153,
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"updated_at": "2021-11-28T01:34:40.689000Z",
"spacegroup": 14
},
{
"id": "mp-1194545",
"created_at": "2022-09-04T14:39:43.561399Z",
"structure_string": "Ba8 Hg4 S20\n1.0\n8.508016 0.000000 0.000000\n0.000000 8.832691 0.000000\n0.000000 0.000000 12.337398\nBa Hg S\n8 4 20\ndirect\n0.643305 0.506216 0.810835 Ba\n0.856695 0.993784 0.310835 Ba\n0.356695 0.006216 0.189165 Ba\n0.143305 0.493784 0.689165 Ba\n0.356695 0.493784 0.189165 Ba\n0.143305 0.006216 0.689165 Ba\n0.643305 0.993784 0.810835 Ba\n0.856695 0.506216 0.310835 Ba\n0.011989 0.750000 0.008744 Hg\n0.488011 0.750000 0.508744 Hg\n0.988011 0.250000 0.991256 Hg\n0.511989 0.250000 0.491256 Hg\n0.569628 0.750000 0.027568 S\n0.930372 0.750000 0.527568 S\n0.430372 0.250000 0.972432 S\n0.069628 0.250000 0.472432 S\n0.090782 0.750000 0.194195 S\n0.409218 0.750000 0.694195 S\n0.909218 0.250000 0.805805 S\n0.590782 0.250000 0.305805 S\n0.943060 0.750000 0.822293 S\n0.556940 0.750000 0.322293 S\n0.056940 0.250000 0.177707 S\n0.443060 0.250000 0.677707 S\n0.693045 0.553475 0.067103 S\n0.806955 0.946525 0.567103 S\n0.306955 0.053475 0.932897 S\n0.193045 0.446525 0.432897 S\n0.306955 0.446525 0.932897 S\n0.193045 0.053475 0.432897 S\n0.693045 0.946525 0.067103 S\n0.806955 0.553475 0.567103 S\n",
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],
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"formula_full": "Ba8 Hg4 S20",
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{
"id": "mp-1103032",
"created_at": "2022-09-04T14:39:43.564852Z",
"structure_string": "Ho4 Al4 Pt4\n1.0\n4.420791 0.000000 0.000000\n0.000000 6.875405 0.000000\n0.000000 0.000000 7.741188\nHo Al Pt\n4 4 4\ndirect\n0.250000 0.031822 0.680396 Ho\n0.250000 0.531822 0.819604 Ho\n0.750000 0.968178 0.319604 Ho\n0.750000 0.468178 0.180396 Ho\n0.250000 0.145310 0.063257 Al\n0.250000 0.645310 0.436743 Al\n0.750000 0.854690 0.936743 Al\n0.750000 0.354690 0.563257 Al\n0.250000 0.273682 0.382416 Pt\n0.250000 0.773682 0.117584 Pt\n0.750000 0.726318 0.617584 Pt\n0.750000 0.226318 0.882416 Pt\n",
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"formula_full": "Ho4 Al4 Pt4",
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"spacegroup": 62
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{
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"created_at": "2022-09-04T14:39:43.569668Z",
"structure_string": "Y2 Al2 Si2\n1.0\n2.006770 -5.162362 0.000000\n2.006770 5.162362 0.000000\n0.000000 0.000000 5.715136\nY Al Si\n2 2 2\ndirect\n0.305569 0.694431 0.250000 Y\n0.694431 0.305569 0.750000 Y\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.400738 0.599262 0.750000 Si\n0.599262 0.400738 0.250000 Si\n",
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{
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"structure_string": "Li2 Mn1 Fe3 O8\n1.0\n2.928397 5.135133 0.000000\n-2.928397 5.135133 0.000000\n0.000000 3.447195 4.913533\nLi Mn Fe O\n2 1 3 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.743659 0.247052 0.793066 O\n0.729568 0.729568 0.787536 O\n0.247052 0.743659 0.793066 O\n0.229177 0.229177 0.786768 O\n0.770823 0.770823 0.213232 O\n0.752948 0.256341 0.206934 O\n0.270432 0.270432 0.212464 O\n0.256341 0.752948 0.206934 O\n",
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],
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{
"id": "mp-1226234",
"created_at": "2022-09-04T14:39:43.573259Z",
"structure_string": "Cs2 Ti6 P10 O38\n1.0\n8.432607 5.605941 0.000000\n-8.432607 5.605941 0.000000\n0.000000 1.613792 8.771329\nCs Ti P O\n2 6 10 38\ndirect\n0.925517 0.062481 0.160476 Cs\n0.062481 0.925517 0.660476 Cs\n0.750112 0.529757 0.509062 Ti\n0.468660 0.248855 0.990311 Ti\n0.248855 0.468660 0.490311 Ti\n0.529757 0.750112 0.009062 Ti\n0.502640 0.000621 0.498647 Ti\n0.000621 0.502640 0.998647 Ti\n0.703056 0.297177 0.249363 P\n0.297177 0.703056 0.749363 P\n0.081362 0.665149 0.315236 P\n0.334937 0.918833 0.184805 P\n0.918833 0.334937 0.684805 P\n0.665149 0.081362 0.815236 P\n0.584564 0.730269 0.371905 P\n0.268996 0.415297 0.128446 P\n0.415297 0.268996 0.628446 P\n0.730269 0.584564 0.871905 P\n0.185141 0.616539 0.390745 O\n0.383897 0.815086 0.109452 O\n0.815086 0.383897 0.609452 O\n0.616539 0.185141 0.890745 O\n0.671890 0.157771 0.364256 O\n0.841750 0.327061 0.134942 O\n0.327061 0.841750 0.634942 O\n0.157771 0.671890 0.864256 O\n0.706977 0.688998 0.422915 O\n0.310509 0.293022 0.077599 O\n0.293022 0.310509 0.577599 O\n0.688998 0.706977 0.922915 O\n0.580472 0.855624 0.456435 O\n0.143593 0.418564 0.043840 O\n0.418564 0.143593 0.543840 O\n0.855624 0.580472 0.956435 O\n0.163370 0.836853 0.250289 O\n0.836853 0.163370 0.750289 O\n0.033770 0.595544 0.175118 O\n0.403810 0.965557 0.325850 O\n0.965557 0.403810 0.825850 O\n0.595544 0.033770 0.675118 O\n0.729242 0.429900 0.333528 O\n0.570064 0.271486 0.166409 O\n0.271486 0.570064 0.666409 O\n0.429900 0.729242 0.833528 O\n0.955102 0.658937 0.428120 O\n0.342799 0.046022 0.073036 O\n0.046022 0.342799 0.573036 O\n0.658937 0.955102 0.928120 O\n0.441858 0.594036 0.408855 O\n0.405860 0.558214 0.090706 O\n0.558214 0.405860 0.590706 O\n0.594036 0.441858 0.908855 O\n0.782864 0.621053 0.698464 O\n0.380302 0.218380 0.801890 O\n0.218380 0.380302 0.301890 O\n0.621053 0.782864 0.198464 O\n",
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{
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{
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{
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{
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}