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{
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{
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{
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{
"id": "mp-560156",
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"structure_string": "Sr4 Tl4 V4 O16\n1.0\n5.955183 0.000000 0.000000\n0.000000 7.667870 0.000000\n0.000000 0.000000 10.189353\nSr Tl V O\n4 4 4 16\ndirect\n0.978064 0.250777 0.705004 Sr\n0.021936 0.750777 0.794996 Sr\n0.521936 0.749223 0.205004 Sr\n0.478064 0.249223 0.294996 Sr\n0.480386 0.414528 0.922676 Tl\n0.980386 0.085472 0.077324 Tl\n0.519614 0.914528 0.577324 Tl\n0.019614 0.585472 0.422676 Tl\n0.514923 0.468237 0.581845 V\n0.485077 0.968237 0.918155 V\n0.014923 0.031763 0.418155 V\n0.985077 0.531763 0.081845 V\n0.239968 0.491015 0.163549 O\n0.498572 0.050210 0.078796 O\n0.746886 0.549628 0.667194 O\n0.998572 0.449790 0.921204 O\n0.253114 0.049628 0.832806 O\n0.739968 0.008985 0.836451 O\n0.260032 0.508985 0.663549 O\n0.246886 0.950372 0.332806 O\n0.432819 0.746836 0.934608 O\n0.932819 0.753164 0.065392 O\n0.760032 0.991015 0.336451 O\n0.501428 0.550210 0.421204 O\n0.753114 0.450372 0.167194 O\n0.001428 0.949790 0.578796 O\n0.067181 0.253164 0.434608 O\n0.567181 0.246836 0.565392 O\n",
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{
"id": "mp-1190451",
"created_at": "2022-09-04T14:46:26.874162Z",
"structure_string": "K6 Zn4 Cl14\n1.0\n7.063038 0.000000 0.000000\n-0.115781 10.938111 0.000000\n-3.326747 -5.308712 9.094985\nK Zn Cl\n6 4 14\ndirect\n0.611824 0.091896 0.216886 K\n0.388176 0.908104 0.783114 K\n0.092424 0.812275 0.221275 K\n0.907576 0.187725 0.778725 K\n0.868859 0.589469 0.714151 K\n0.131141 0.410531 0.285849 K\n0.495691 0.662670 0.993487 Zn\n0.504309 0.337330 0.006513 Zn\n0.358729 0.271148 0.564821 Zn\n0.641271 0.728852 0.435179 Zn\n0.331320 0.170124 0.701145 Cl\n0.668680 0.829876 0.298855 Cl\n0.307065 0.499863 0.656632 Cl\n0.692935 0.500137 0.343368 Cl\n0.722346 0.803061 0.971318 Cl\n0.277654 0.196939 0.028682 Cl\n0.726014 0.496482 0.989211 Cl\n0.273986 0.503518 0.010789 Cl\n0.252373 0.805506 0.983417 Cl\n0.747627 0.194494 0.016583 Cl\n0.678717 0.269198 0.550622 Cl\n0.321283 0.730802 0.449378 Cl\n0.135127 0.140250 0.327743 Cl\n0.864873 0.859750 0.672257 Cl\n",
"nsites": 24,
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"elements": [
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"formula_full": "K6 Zn4 Cl14",
"formula_reduced": "K3Zn2Cl7",
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{
"id": "mp-1214959",
"created_at": "2022-09-04T14:46:26.541223Z",
"structure_string": "Al4 Ag36 Se24\n1.0\n11.320147 0.000000 0.000000\n0.000000 11.320147 0.000000\n0.000000 0.000000 11.320147\nAl Ag Se\n4 36 24\ndirect\n0.508103 0.508103 0.508103 Al\n0.991897 0.491897 0.008103 Al\n0.491897 0.008103 0.991897 Al\n0.008103 0.991897 0.491897 Al\n0.146019 0.330711 0.465161 Ag\n0.353981 0.669289 0.965161 Ag\n0.853981 0.830711 0.034839 Ag\n0.465161 0.146019 0.330711 Ag\n0.646019 0.169289 0.534839 Ag\n0.965161 0.353981 0.669289 Ag\n0.034839 0.853981 0.830711 Ag\n0.534839 0.646019 0.169289 Ag\n0.330711 0.465161 0.146019 Ag\n0.830711 0.034839 0.853981 Ag\n0.169289 0.534839 0.646019 Ag\n0.669289 0.965161 0.353981 Ag\n0.172828 0.569727 0.362376 Ag\n0.327172 0.430273 0.862376 Ag\n0.827172 0.069727 0.137624 Ag\n0.362376 0.172828 0.569727 Ag\n0.672828 0.930273 0.637624 Ag\n0.862376 0.327172 0.430273 Ag\n0.137624 0.827172 0.069727 Ag\n0.637624 0.672828 0.930273 Ag\n0.569727 0.362376 0.172828 Ag\n0.069727 0.137624 0.827172 Ag\n0.930273 0.637624 0.672828 Ag\n0.430273 0.862376 0.327172 Ag\n0.030984 0.227340 0.231009 Ag\n0.469016 0.772660 0.731009 Ag\n0.969016 0.727340 0.268991 Ag\n0.231009 0.030984 0.227340 Ag\n0.530984 0.272660 0.768991 Ag\n0.731009 0.469016 0.772660 Ag\n0.268991 0.969016 0.727340 Ag\n0.768991 0.530984 0.272660 Ag\n0.227340 0.231009 0.030984 Ag\n0.727340 0.268991 0.969016 Ag\n0.272660 0.768991 0.530984 Ag\n0.772660 0.731009 0.469016 Ag\n0.629662 0.629662 0.629662 Se\n0.870338 0.370338 0.129662 Se\n0.370338 0.129662 0.870338 Se\n0.129662 0.870338 0.370338 Se\n0.262267 0.262267 0.262267 Se\n0.237733 0.737733 0.762267 Se\n0.737733 0.762267 0.237733 Se\n0.762267 0.237733 0.737733 Se\n0.018698 0.018698 0.018698 Se\n0.481302 0.981302 0.518698 Se\n0.981302 0.518698 0.481302 Se\n0.518698 0.481302 0.981302 Se\n0.123608 0.132360 0.602399 Se\n0.376392 0.867640 0.102399 Se\n0.876392 0.632360 0.897601 Se\n0.602399 0.123608 0.132360 Se\n0.623608 0.367640 0.397601 Se\n0.102399 0.376392 0.867640 Se\n0.897601 0.876392 0.632360 Se\n0.397601 0.623608 0.367640 Se\n0.132360 0.602399 0.123608 Se\n0.632360 0.897601 0.876392 Se\n0.367640 0.397601 0.623608 Se\n0.867640 0.102399 0.376392 Se\n",
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"formula_full": "Al4 Ag36 Se24",
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{
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"structure_string": "P3 Cl15\n1.0\n4.338565 7.644237 0.000000\n-4.338565 7.644237 0.000000\n0.000000 5.062618 7.730552\nP Cl\n3 15\ndirect\n0.260149 0.260149 0.223805 P\n0.739851 0.739851 0.776195 P\n0.500000 0.500000 0.500000 P\n0.338717 0.338717 0.574201 Cl\n0.639511 0.286847 0.691527 Cl\n0.148220 0.148220 0.471169 Cl\n0.533301 0.161123 0.166995 Cl\n0.661283 0.661283 0.425799 Cl\n0.713153 0.360489 0.308473 Cl\n0.286847 0.639511 0.691527 Cl\n0.804833 0.804833 0.910676 Cl\n0.466699 0.838877 0.833005 Cl\n0.195167 0.195167 0.089324 Cl\n0.851780 0.851780 0.528831 Cl\n0.360489 0.713153 0.308473 Cl\n0.161123 0.533301 0.166995 Cl\n0.000000 0.000000 0.000000 Cl\n0.838877 0.466699 0.833005 Cl\n",
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{
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"structure_string": "Cu8 H6 C4 N10\n1.0\n2.893036 -5.010885 0.000000\n2.893036 5.010885 0.000000\n0.000000 0.000000 10.862636\nCu H C N\n8 6 4 10\ndirect\n0.835095 0.670190 0.232299 Cu\n0.329810 0.164905 0.232299 Cu\n0.835095 0.164905 0.232299 Cu\n0.666667 0.333333 0.751251 Cu\n0.670190 0.835095 0.732299 Cu\n0.164905 0.329810 0.732299 Cu\n0.333333 0.666667 0.251251 Cu\n0.164905 0.835095 0.732299 Cu\n0.762876 0.237124 0.538893 H\n0.474249 0.237124 0.538893 H\n0.762876 0.525751 0.538893 H\n0.525751 0.762876 0.038893 H\n0.237124 0.474249 0.038893 H\n0.237124 0.762876 0.038893 H\n0.666667 0.333333 0.031318 C\n0.000000 0.000000 0.939095 C\n0.333333 0.666667 0.531318 C\n0.000000 0.000000 0.439095 C\n0.666667 0.333333 0.571909 N\n0.000000 0.000000 0.820362 N\n0.000000 0.000000 0.549339 N\n0.000000 0.000000 0.049339 N\n0.666667 0.333333 0.921829 N\n0.000000 0.000000 0.320362 N\n0.666667 0.333333 0.150524 N\n0.333333 0.666667 0.421829 N\n0.333333 0.666667 0.071909 N\n0.333333 0.666667 0.650524 N\n",
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{
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"structure_string": "La2 Ge4 Ir4\n1.0\n4.308179 0.000000 0.000000\n0.000000 4.308179 0.000000\n0.000000 0.000000 10.289238\nLa Ge Ir\n2 4 4\ndirect\n0.000000 0.500000 0.255597 La\n0.500000 0.000000 0.744403 La\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.500000 0.870048 Ge\n0.500000 0.000000 0.129952 Ge\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.628072 Ir\n0.500000 0.000000 0.371928 Ir\n",
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{
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"structure_string": "Al4 Bi4 O12\n1.0\n5.094505 0.000000 0.000000\n0.000000 7.207137 0.000000\n0.000000 3.940961 7.737180\nAl Bi O\n4 4 12\ndirect\n0.740176 0.906543 0.512175 Al\n0.759824 0.906543 0.012175 Al\n0.240176 0.093457 0.987825 Al\n0.259824 0.093457 0.487825 Al\n0.224141 0.709278 0.880863 Bi\n0.275859 0.709278 0.380863 Bi\n0.724141 0.290722 0.619137 Bi\n0.775859 0.290722 0.119137 Bi\n0.545472 0.974364 0.655938 O\n0.074254 0.831724 0.610875 O\n0.954528 0.974364 0.155938 O\n0.645862 0.653466 0.528602 O\n0.425746 0.831724 0.110875 O\n0.145862 0.346534 0.971398 O\n0.854138 0.653466 0.028602 O\n0.574254 0.168276 0.889125 O\n0.354138 0.346534 0.471398 O\n0.045472 0.025636 0.844062 O\n0.925746 0.168276 0.389125 O\n0.454528 0.025636 0.344062 O\n",
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},
{
"id": "mp-976976",
"created_at": "2022-09-04T14:46:27.283254Z",
"structure_string": "Mg1 Pd5\n1.0\n4.809469 -2.425153 0.000000\n4.809469 2.425153 0.000000\n3.586596 0.000000 4.018543\nMg Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.832835 0.500000 0.167165 Pd\n0.167165 0.832835 0.500000 Pd\n0.332557 0.332557 0.332557 Pd\n0.667443 0.667443 0.667443 Pd\n0.500000 0.167165 0.832835 Pd\n",
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"elements": [
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"Pd"
],
"chemical_system": "Mg-Pd",
"density": 9.856102998171616,
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"volume": 93.74214530052795,
"volume_molar": 9.408806569069199,
"formula_full": "Mg1 Pd5",
"formula_reduced": "MgPd5",
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"updated_at": "2021-11-28T01:37:33.073000Z",
"spacegroup": 155
},
{
"id": "mp-755401",
"created_at": "2022-09-04T14:46:28.339031Z",
"structure_string": "Na12 Cu4 O8\n1.0\n9.511046 0.000000 0.000000\n0.000000 9.511046 0.000000\n0.000000 0.000000 4.594689\nNa Cu O\n12 4 8\ndirect\n0.656026 0.986202 0.500000 Na\n0.513798 0.156026 0.000000 Na\n0.841776 0.158224 0.000000 Na\n0.341776 0.341776 0.500000 Na\n0.013798 0.343974 0.500000 Na\n0.156026 0.513798 0.000000 Na\n0.843974 0.486202 0.000000 Na\n0.986202 0.656026 0.500000 Na\n0.658224 0.658224 0.500000 Na\n0.158224 0.841776 0.000000 Na\n0.486202 0.843974 0.000000 Na\n0.343974 0.013798 0.500000 Na\n0.166588 0.166588 0.000000 Cu\n0.666588 0.333412 0.500000 Cu\n0.333412 0.666588 0.500000 Cu\n0.833412 0.833412 0.000000 Cu\n0.300474 0.030083 0.000000 O\n0.530083 0.199526 0.500000 O\n0.030083 0.300474 0.000000 O\n0.800474 0.469917 0.500000 O\n0.199526 0.530083 0.500000 O\n0.969917 0.699526 0.000000 O\n0.469917 0.800474 0.500000 O\n0.699526 0.969917 0.000000 O\n",
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"elements": [
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"chemical_system": "Cu-Na-O",
"density": 2.6290542662019933,
"density_atomic": 0.0577428953787346,
"volume": 415.6355486261026,
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"formula_full": "Na12 Cu4 O8",
"formula_reduced": "Na3CuO2",
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"updated_at": "2021-11-28T01:37:42.722000Z",
"spacegroup": 136
}
]
}