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{
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{
"id": "mp-769242",
"created_at": "2022-09-04T14:44:17.106610Z",
"structure_string": "Li8 Cu4 H16 O16\n1.0\n6.352105 0.000000 0.000000\n0.000000 6.394732 0.000000\n0.000000 0.000000 8.459733\nLi Cu H O\n8 4 16 16\ndirect\n0.011886 0.799949 0.749076 Li\n0.247579 0.507605 0.997447 Li\n0.252421 0.007605 0.497447 Li\n0.488114 0.299949 0.249076 Li\n0.511886 0.700051 0.749076 Li\n0.747579 0.992395 0.997447 Li\n0.752421 0.492395 0.497447 Li\n0.988114 0.200051 0.249076 Li\n0.240840 0.505985 0.500154 Cu\n0.259160 0.005985 0.000154 Cu\n0.740840 0.994015 0.500154 Cu\n0.759160 0.494015 0.000154 Cu\n0.002986 0.234640 0.594706 H\n0.997014 0.765360 0.094706 H\n0.007887 0.239341 0.905290 H\n0.085855 0.525091 0.248180 H\n0.252844 0.832667 0.248196 H\n0.247156 0.332667 0.748196 H\n0.414145 0.025091 0.748180 H\n0.492113 0.739341 0.405290 H\n0.502986 0.265360 0.594706 H\n0.497014 0.734640 0.094706 H\n0.507887 0.260659 0.905290 H\n0.585855 0.974909 0.248180 H\n0.752844 0.667333 0.248196 H\n0.747156 0.167333 0.748196 H\n0.914145 0.474909 0.748180 H\n0.992113 0.760659 0.405290 H\n0.027262 0.725560 0.513817 O\n0.042514 0.787706 0.986614 O\n0.224978 0.484817 0.737741 O\n0.240082 0.518733 0.261100 O\n0.259918 0.018733 0.761100 O\n0.275022 0.984817 0.237741 O\n0.457486 0.287706 0.486614 O\n0.472738 0.225560 0.013817 O\n0.527262 0.774440 0.513817 O\n0.542514 0.712294 0.986614 O\n0.724978 0.015183 0.737741 O\n0.740082 0.981267 0.261100 O\n0.759918 0.481267 0.761100 O\n0.775022 0.515183 0.237741 O\n0.957486 0.212294 0.486614 O\n0.972738 0.274440 0.013817 O\n",
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{
"id": "mp-774353",
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"structure_string": "Li6 Ti2 Ni4 O12\n1.0\n-0.000170 -1.525765 2.493643\n8.582324 -8.301633 -5.077197\n3.426967 4.101480 2.507018\nLi Ti Ni O\n6 2 4 12\ndirect\n0.000000 0.666624 0.833314 Li\n0.500000 0.166659 0.333340 Li\n0.000009 0.994102 0.490064 Li\n0.500008 0.494139 0.989985 Li\n0.999992 0.339248 0.176607 Li\n0.499992 0.839207 0.676622 Li\n0.000000 0.666652 0.333342 Ti\n0.500000 0.166685 0.833331 Ti\n0.499959 0.497847 0.502691 Ni\n0.500039 0.835452 0.163971 Ni\n0.999962 0.997907 0.002701 Ni\n0.000039 0.335472 0.664009 Ni\n0.000185 0.509844 0.266596 O\n0.500188 0.009835 0.766618 O\n0.999812 0.823474 0.400054 O\n0.499814 0.323498 0.900029 O\n0.000197 0.834277 0.932753 O\n0.500196 0.334285 0.432773 O\n0.999805 0.499045 0.733961 O\n0.499801 0.999056 0.233907 O\n0.999979 0.164184 0.605407 O\n0.499979 0.664158 0.105367 O\n0.000021 0.169189 0.061280 O\n0.500023 0.669166 0.561290 O\n",
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{
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"structure_string": "Sc4 Al4 O12\n1.0\n4.973640 0.000000 0.000000\n0.000000 5.264203 0.000000\n0.000000 0.000000 7.297695\nSc Al O\n4 4 12\ndirect\n0.478041 0.431694 0.750000 Sc\n0.978041 0.068306 0.250000 Sc\n0.021959 0.931694 0.750000 Sc\n0.521959 0.568306 0.250000 Sc\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.192266 0.195096 0.937558 O\n0.692266 0.304904 0.062442 O\n0.307734 0.695096 0.562442 O\n0.807734 0.804904 0.437558 O\n0.807734 0.804904 0.062442 O\n0.307734 0.695096 0.937558 O\n0.692266 0.304904 0.437558 O\n0.192266 0.195096 0.562442 O\n0.122058 0.454477 0.250000 O\n0.622058 0.045523 0.750000 O\n0.377942 0.954477 0.250000 O\n0.877942 0.545523 0.750000 O\n",
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{
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{
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],
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{
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"created_at": "2022-09-04T14:44:16.364739Z",
"structure_string": "Al4 Br12\n1.0\n7.582053 0.000000 0.000000\n0.000000 7.907940 0.000000\n0.000000 1.579056 11.145471\nAl Br\n4 12\ndirect\n0.088612 0.191589 0.449235 Al\n0.588612 0.808411 0.050765 Al\n0.911388 0.808411 0.550765 Al\n0.411388 0.191589 0.949235 Al\n0.921063 0.390376 0.337986 Br\n0.421063 0.609624 0.162014 Br\n0.078937 0.609624 0.662014 Br\n0.578937 0.390376 0.837986 Br\n0.373799 0.246027 0.487031 Br\n0.873799 0.753973 0.012969 Br\n0.626201 0.753973 0.512969 Br\n0.126201 0.246027 0.987031 Br\n0.064549 0.922267 0.364968 Br\n0.564549 0.077733 0.135032 Br\n0.935451 0.077733 0.635032 Br\n0.435451 0.922267 0.864968 Br\n",
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"elements": [
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],
"chemical_system": "Al-Br",
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"formula_full": "Al4 Br12",
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},
{
"id": "mp-13385",
"created_at": "2022-09-04T14:44:16.645333Z",
"structure_string": "Tm2 Ag2 P4 Se12\n1.0\n3.319979 -5.750372 0.000000\n3.319979 5.750372 0.000000\n0.000000 0.000000 15.096684\nTm Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 Tm\n0.000000 0.000000 0.250000 Tm\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.666667 0.333333 0.674717 P\n0.666667 0.333333 0.825283 P\n0.333333 0.666667 0.325283 P\n0.333333 0.666667 0.174717 P\n0.022183 0.342246 0.130678 Se\n0.657754 0.679936 0.130678 Se\n0.320064 0.977817 0.130678 Se\n0.657754 0.977817 0.369322 Se\n0.320064 0.342246 0.369322 Se\n0.022183 0.679936 0.369322 Se\n0.977817 0.657754 0.869322 Se\n0.342246 0.320064 0.869322 Se\n0.679936 0.022183 0.869322 Se\n0.342246 0.022183 0.630678 Se\n0.679936 0.657754 0.630678 Se\n0.977817 0.320064 0.630678 Se\n",
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"elements": [
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],
"chemical_system": "Ag-P-Se-Tm",
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"density_atomic": 0.03469661906583189,
"volume": 576.4250390521581,
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"formula_full": "Tm2 Ag2 P4 Se12",
"formula_reduced": "TmAg(PSe3)2",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:30.036000Z",
"spacegroup": 163
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{
"id": "mp-30851",
"created_at": "2022-09-04T14:44:16.646846Z",
"structure_string": "Ti6 Pt10\n1.0\n-2.746920 4.128272 5.535022\n2.746920 -4.128272 5.535022\n2.746920 4.128272 -5.535022\nTi Pt\n6 10\ndirect\n0.644830 0.435329 0.790499 Ti\n0.855170 0.145669 0.290499 Ti\n0.355170 0.564671 0.209501 Ti\n0.144830 0.854331 0.709501 Ti\n0.750000 0.000000 0.750000 Ti\n0.250000 0.000000 0.250000 Ti\n0.103924 0.316676 0.212752 Pt\n0.396076 0.108829 0.712752 Pt\n0.896076 0.683324 0.787248 Pt\n0.603924 0.891171 0.287248 Pt\n0.993101 0.243101 0.750000 Pt\n0.506899 0.756899 0.750000 Pt\n0.006899 0.756899 0.250000 Pt\n0.493101 0.243101 0.250000 Pt\n0.250000 0.500000 0.750000 Pt\n0.750000 0.500000 0.250000 Pt\n",
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"elements": [
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"volume": 251.0693268212907,
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"formula_full": "Ti6 Pt10",
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"updated_at": "2021-11-28T01:36:26.395000Z",
"spacegroup": 72
},
{
"id": "mp-1026425",
"created_at": "2022-09-04T14:44:16.647782Z",
"structure_string": "Mg14 Sn1 Mo1\n1.0\n6.290012 0.047343 0.000000\n-3.104006 5.376295 0.000000\n0.000000 0.000000 10.204716\nMg Sn Mo\n14 1 1\ndirect\n0.166872 0.333436 0.625000 Mg\n0.165818 0.832908 0.625000 Mg\n0.667637 0.334469 0.125000 Mg\n0.666027 0.333785 0.625000 Mg\n0.667637 0.833167 0.125000 Mg\n0.666027 0.832241 0.625000 Mg\n0.330307 0.158374 0.369642 Mg\n0.330307 0.158374 0.880358 Mg\n0.330307 0.671934 0.369642 Mg\n0.330307 0.671934 0.880358 Mg\n0.832484 0.166243 0.378248 Mg\n0.832484 0.166243 0.871752 Mg\n0.842901 0.671451 0.369926 Mg\n0.842901 0.671451 0.880074 Mg\n0.162766 0.331383 0.125000 Sn\n0.165218 0.832608 0.125000 Mo\n",
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"density": 2.6586479448691103,
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"formula_full": "Mg14 Sn1 Mo1",
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{
"id": "mp-1245392",
"created_at": "2022-09-04T14:44:16.664063Z",
"structure_string": "Mn8 Sn2 N8\n1.0\n5.553179 0.714566 0.423661\n2.672012 5.196102 0.492106\n2.563736 3.039139 7.510266\nMn Sn N\n8 2 8\ndirect\n0.733141 0.472898 0.320472 Mn\n0.266859 0.527102 0.679528 Mn\n0.740280 0.212035 0.006491 Mn\n0.259720 0.787965 0.993509 Mn\n0.783202 0.488353 0.655628 Mn\n0.216798 0.511647 0.344372 Mn\n0.277168 0.987804 0.649213 Mn\n0.722832 0.012196 0.350787 Mn\n0.738476 0.923821 0.810361 Sn\n0.261524 0.076179 0.189639 Sn\n0.001055 0.716016 0.509920 N\n0.998945 0.283984 0.490080 N\n0.901826 0.791164 0.160090 N\n0.098174 0.208836 0.839910 N\n0.424589 0.557499 0.840390 N\n0.575411 0.442501 0.159610 N\n0.486225 0.770891 0.480860 N\n0.513775 0.229109 0.519140 N\n",
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"formula_full": "Mn8 Sn2 N8",
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}
]
}