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{
"id": "mp-1192304",
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{
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{
"id": "mp-1106138",
"created_at": "2022-09-04T14:43:02.417753Z",
"structure_string": "Ce4 Al4 Pd8\n1.0\n5.937887 0.000000 0.000000\n0.000000 7.029209 0.000000\n0.000000 0.000000 7.571811\nCe Al Pd\n4 4 8\ndirect\n0.341053 0.750000 0.032583 Ce\n0.158947 0.750000 0.532583 Ce\n0.658947 0.250000 0.967417 Ce\n0.841053 0.250000 0.467417 Ce\n0.657364 0.750000 0.382815 Al\n0.842636 0.750000 0.882815 Al\n0.342636 0.250000 0.617185 Al\n0.157364 0.250000 0.117185 Al\n0.914549 0.549974 0.179369 Pd\n0.585451 0.950026 0.679369 Pd\n0.085451 0.049974 0.820631 Pd\n0.414549 0.450026 0.320631 Pd\n0.085451 0.450026 0.820631 Pd\n0.414549 0.049974 0.320631 Pd\n0.914549 0.950026 0.179369 Pd\n0.585451 0.549974 0.679369 Pd\n",
"nsites": 16,
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"elements": [
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"density": 7.98515119401304,
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"formula_full": "Ce4 Al4 Pd8",
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"spacegroup": 62
},
{
"id": "mp-21164",
"created_at": "2022-09-04T14:43:02.925792Z",
"structure_string": "Sr4 Ge4 Pt4\n1.0\n6.692063 0.000000 0.000000\n0.000000 6.692063 0.000000\n0.000000 0.000000 6.692063\nSr Ge Pt\n4 4 4\ndirect\n0.135841 0.135841 0.135841 Sr\n0.364159 0.864159 0.635841 Sr\n0.635841 0.364159 0.864159 Sr\n0.864159 0.635841 0.364159 Sr\n0.165478 0.334522 0.665478 Ge\n0.334522 0.665478 0.165478 Ge\n0.665478 0.165478 0.334522 Ge\n0.834522 0.834522 0.834522 Ge\n0.582605 0.917395 0.082605 Pt\n0.917395 0.082605 0.582605 Pt\n0.082605 0.582605 0.917395 Pt\n0.417395 0.417395 0.417395 Pt\n",
"nsites": 12,
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],
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"density": 7.875497774213262,
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"formula_full": "Sr4 Ge4 Pt4",
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"spacegroup": 198
},
{
"id": "mp-20578",
"created_at": "2022-09-04T14:43:02.348277Z",
"structure_string": "Eu2 B8 Ir8\n1.0\n7.699602 0.000000 0.000000\n0.000000 7.699602 0.000000\n0.000000 0.000000 3.980751\nEu B Ir\n2 8 8\ndirect\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.657912 0.778783 0.608354 B\n0.157912 0.278783 0.891646 B\n0.278783 0.842088 0.108354 B\n0.721217 0.157912 0.108354 B\n0.342088 0.221217 0.608354 B\n0.842088 0.721217 0.891646 B\n0.221217 0.657912 0.391646 B\n0.778783 0.342088 0.391646 B\n0.344337 0.110733 0.107532 Ir\n0.655663 0.889267 0.107532 Ir\n0.610733 0.155663 0.607532 Ir\n0.110733 0.655663 0.892468 Ir\n0.155663 0.389267 0.392468 Ir\n0.844337 0.610733 0.392468 Ir\n0.889267 0.344337 0.892468 Ir\n0.389267 0.844337 0.607532 Ir\n",
"nsites": 18,
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"elements": [
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"B",
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"chemical_system": "B-Eu-Ir",
"density": 13.5671553690128,
"density_atomic": 0.07627301938425786,
"volume": 235.99432860153766,
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"formula_full": "Eu2 B8 Ir8",
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"formula_anonymous": "AB4C4",
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},
{
"id": "mp-30027",
"created_at": "2022-09-04T14:43:02.398444Z",
"structure_string": "Rb4 Cr4 Cl12\n1.0\n3.563433 6.244993 0.000000\n-3.563433 6.244993 0.000000\n0.000000 0.922749 12.878182\nRb Cr Cl\n4 4 12\ndirect\n0.684522 0.649753 0.628800 Rb\n0.350247 0.315478 0.871200 Rb\n0.315478 0.350247 0.371200 Rb\n0.649753 0.684522 0.128800 Rb\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.960239 0.039761 0.250000 Cr\n0.039761 0.960239 0.750000 Cr\n0.126535 0.728012 0.140961 Cl\n0.271988 0.873465 0.359039 Cl\n0.873465 0.271988 0.859039 Cl\n0.728012 0.126535 0.640961 Cl\n0.188443 0.646160 0.649717 Cl\n0.353840 0.811557 0.850283 Cl\n0.811557 0.353840 0.350283 Cl\n0.646160 0.188443 0.149717 Cl\n0.853213 0.821218 0.915292 Cl\n0.178782 0.146787 0.584708 Cl\n0.146787 0.178782 0.084708 Cl\n0.821218 0.853213 0.415292 Cl\n",
"nsites": 20,
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"elements": [
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"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Rb",
"density": 2.8255205718557463,
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"volume": 573.1721861303449,
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"formula_full": "Rb4 Cr4 Cl12",
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"spacegroup": 15
},
{
"id": "mp-7505",
"created_at": "2022-09-04T14:43:02.614872Z",
"structure_string": "K4 P4 Pd2\n1.0\n3.199860 -7.137543 0.000000\n3.199860 7.137543 0.000000\n0.000000 0.000000 5.975371\nK P Pd\n4 4 2\ndirect\n0.211968 0.788032 0.750000 K\n0.575242 0.424758 0.750000 K\n0.788032 0.211968 0.250000 K\n0.424758 0.575242 0.250000 K\n0.059455 0.280803 0.750000 P\n0.280803 0.059455 0.250000 P\n0.940545 0.719197 0.250000 P\n0.719197 0.940545 0.750000 P\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
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],
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"formula_full": "K4 P4 Pd2",
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{
"id": "mp-1195030",
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"structure_string": "B20 H66 C20 I2\n1.0\n9.618986 0.000000 0.000000\n-0.072396 10.011618 0.000000\n-3.564552 -3.907468 12.504607\nB H C I\n20 66 20 2\ndirect\n0.116736 0.633078 0.382801 B\n0.883264 0.366922 0.617199 B\n0.222203 0.664121 0.300174 B\n0.777797 0.335879 0.699826 B\n0.145222 0.803817 0.375156 B\n0.854778 0.196183 0.624844 B\n0.111874 0.780266 0.491587 B\n0.888126 0.219734 0.508413 B\n0.281092 0.557739 0.386713 B\n0.718908 0.442261 0.613287 B\n0.406692 0.666599 0.357397 B\n0.593308 0.333401 0.642603 B\n0.324806 0.829678 0.375265 B\n0.675194 0.170322 0.624735 B\n0.253255 0.904938 0.500159 B\n0.746745 0.095062 0.499841 B\n0.268592 0.809771 0.596570 B\n0.731408 0.190229 0.403430 B\n0.206323 0.633169 0.513358 B\n0.793677 0.366831 0.486642 B\n0.537213 0.508653 0.285054 H\n0.462787 0.491347 0.714946 H\n0.641195 0.663184 0.371851 H\n0.358805 0.336816 0.628149 H\n0.528550 0.790273 0.234085 H\n0.471450 0.209727 0.765915 H\n0.437507 0.629570 0.147881 H\n0.562493 0.370430 0.852119 H\n0.685180 0.533265 0.151866 H\n0.314820 0.466735 0.848134 H\n0.766619 0.702411 0.228067 H\n0.233381 0.297589 0.771933 H\n0.553398 0.624311 0.003572 H\n0.446602 0.375689 0.996428 H\n0.626405 0.796236 0.079254 H\n0.373595 0.203764 0.920746 H\n0.805663 0.552896 0.004100 H\n0.194337 0.447104 0.995900 H\n0.762192 0.691154 0.946239 H\n0.237808 0.308846 0.053761 H\n0.877201 0.727008 0.078785 H\n0.122799 0.272992 0.921215 H\n0.267990 0.983783 0.735394 H\n0.732010 0.016217 0.264606 H\n0.418920 0.888174 0.759444 H\n0.581080 0.111826 0.240556 H\n0.110692 0.773937 0.738006 H\n0.889308 0.226063 0.261994 H\n0.271825 0.697105 0.777425 H\n0.728175 0.302895 0.222575 H\n0.193377 0.982058 0.899582 H\n0.806623 0.017942 0.100418 H\n0.358753 0.911577 0.939709 H\n0.641247 0.088423 0.060291 H\n0.060211 0.773082 0.914928 H\n0.939789 0.226918 0.085072 H\n0.227423 0.708128 0.959246 H\n0.772577 0.291872 0.040754 H\n0.131786 0.990671 0.072611 H\n0.868214 0.009329 0.927389 H\n0.142079 0.837547 0.115421 H\n0.857921 0.162453 0.884579 H\n0.302227 0.928455 0.116385 H\n0.697773 0.071545 0.883615 H\n0.010998 0.553420 0.340273 H\n0.989002 0.446580 0.659727 H\n0.172528 0.621118 0.205296 H\n0.827472 0.378882 0.794704 H\n0.062404 0.866617 0.327230 H\n0.937596 0.133383 0.672770 H\n0.997737 0.807521 0.507909 H\n0.002263 0.192479 0.492091 H\n0.360798 0.914455 0.338318 H\n0.639202 0.085545 0.661682 H\n0.252793 0.029108 0.528453 H\n0.747207 0.970892 0.471547 H\n0.169382 0.547419 0.549023 H\n0.830618 0.452581 0.450977 H\n0.414384 0.607992 0.439789 H\n0.585616 0.392008 0.560211 H\n0.442607 0.795158 0.433400 H\n0.557393 0.204842 0.566600 H\n0.367549 0.874596 0.564413 H\n0.632451 0.125404 0.435587 H\n0.335797 0.687850 0.573916 H\n0.664203 0.312150 0.426084 H\n0.538531 0.623624 0.308891 C\n0.461469 0.376376 0.691109 C\n0.536825 0.676537 0.212544 C\n0.463175 0.323463 0.787456 C\n0.667282 0.645159 0.167746 C\n0.332718 0.354841 0.832254 C\n0.649485 0.685689 0.064910 C\n0.350515 0.314311 0.935090 C\n0.780667 0.662892 0.020876 C\n0.219333 0.337108 0.979124 C\n0.300908 0.876190 0.722053 C\n0.699092 0.123810 0.277947 C\n0.227107 0.798718 0.780299 C\n0.772893 0.201282 0.219701 C\n0.242742 0.882446 0.896749 C\n0.757258 0.117554 0.103251 C\n0.175398 0.805486 0.957763 C\n0.824602 0.194514 0.042237 C\n0.188006 0.895227 0.071849 C\n0.811994 0.104773 0.928151 C\n0.285335 0.329726 0.337343 I\n0.714665 0.670274 0.662657 I\n",
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"formula_full": "B20 H66 C20 I2",
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{
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"structure_string": "Hf4 Si4 Pd4\n1.0\n3.891098 0.000000 0.000000\n0.000000 6.606012 0.000000\n0.000000 0.000000 7.615653\nHf Si Pd\n4 4 4\ndirect\n0.250000 0.527808 0.678962 Hf\n0.750000 0.472192 0.321038 Hf\n0.250000 0.027808 0.821038 Hf\n0.750000 0.972192 0.178962 Hf\n0.250000 0.258276 0.124213 Si\n0.750000 0.741724 0.875787 Si\n0.250000 0.758276 0.375787 Si\n0.750000 0.241724 0.624213 Si\n0.750000 0.856882 0.562110 Pd\n0.250000 0.143118 0.437890 Pd\n0.750000 0.356882 0.937890 Pd\n0.250000 0.643118 0.062110 Pd\n",
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{
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"structure_string": "Dy16 Ga4 Sb4 S36\n1.0\n6.932316 -7.048014 0.000000\n6.932316 7.048014 0.000000\n0.000000 0.000000 13.534794\nDy Ga Sb S\n16 4 4 36\ndirect\n0.042749 0.625661 0.317000 Dy\n0.374339 0.957251 0.683000 Dy\n0.542749 0.125661 0.183000 Dy\n0.874339 0.457251 0.817000 Dy\n0.091143 0.127871 0.187107 Dy\n0.872129 0.908857 0.812893 Dy\n0.591143 0.627871 0.312893 Dy\n0.372129 0.408857 0.687107 Dy\n0.320260 0.337600 0.399179 Dy\n0.662400 0.679740 0.600821 Dy\n0.820260 0.837601 0.100821 Dy\n0.162399 0.179740 0.899179 Dy\n0.328631 0.449844 0.103709 Dy\n0.550156 0.671369 0.896291 Dy\n0.828631 0.949844 0.396291 Dy\n0.050156 0.171369 0.603709 Dy\n0.823796 0.386778 0.091321 Ga\n0.613222 0.176204 0.908679 Ga\n0.323796 0.886778 0.408679 Ga\n0.113222 0.676204 0.591321 Ga\n0.831488 0.330011 0.386810 Sb\n0.669989 0.168512 0.613190 Sb\n0.331488 0.830011 0.113190 Sb\n0.169989 0.668512 0.886810 Sb\n0.015075 0.163558 0.400776 S\n0.836442 0.984925 0.599224 S\n0.515075 0.663558 0.099224 S\n0.336442 0.484925 0.900776 S\n0.147275 0.662532 0.081505 S\n0.337468 0.852725 0.918495 S\n0.647275 0.162532 0.418495 S\n0.837468 0.352725 0.581505 S\n0.818460 0.204101 0.197244 S\n0.795899 0.181540 0.802756 S\n0.318460 0.704101 0.302756 S\n0.295899 0.681540 0.697244 S\n0.821573 0.577464 0.190904 S\n0.422536 0.178427 0.809096 S\n0.321573 0.077464 0.309096 S\n0.922536 0.678427 0.690904 S\n0.125006 0.874994 0.500000 S\n0.625006 0.374994 0.000000 S\n0.116716 0.491971 0.488729 S\n0.508029 0.883284 0.511271 S\n0.616716 0.991971 0.011271 S\n0.008029 0.383284 0.988729 S\n0.811624 0.681436 0.431602 S\n0.318564 0.188376 0.568398 S\n0.311624 0.181436 0.068398 S\n0.818564 0.688376 0.931602 S\n0.002842 0.881632 0.248524 S\n0.118368 0.997158 0.751476 S\n0.502842 0.381632 0.251476 S\n0.618368 0.497158 0.748524 S\n0.499464 0.500536 0.500000 S\n0.999464 0.000536 0.000000 S\n0.142334 0.390497 0.245413 S\n0.609503 0.857666 0.754587 S\n0.642334 0.890497 0.254587 S\n0.109503 0.357666 0.745413 S\n",
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]
}