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{
"id": "mp-753804",
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"structure_string": "Li1 Co2 P2 O8\n1.0\n3.890212 3.380851 0.000000\n-3.890212 3.380851 0.000000\n0.000000 0.007077 6.870613\nLi Co P O\n1 2 2 8\ndirect\n0.497453 0.502547 0.000000 Li\n0.002693 0.997307 0.000000 Co\n0.500628 0.499372 0.500000 Co\n0.499220 0.000130 0.248912 P\n0.999870 0.500780 0.751088 P\n0.696656 0.445438 0.746936 O\n0.095611 0.796994 0.794429 O\n0.098444 0.352784 0.933659 O\n0.578706 0.874065 0.436088 O\n0.647216 0.901556 0.066341 O\n0.125935 0.421294 0.563912 O\n0.203006 0.904389 0.205571 O\n0.554562 0.303344 0.253064 O\n",
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{
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"structure_string": "Sn2 B1 Se1\n1.0\n0.000000 3.476192 3.476192\n3.476192 0.000000 3.476192\n3.476192 3.476192 0.000000\nSn B Se\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sn\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 Se\n",
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{
"id": "mp-760309",
"created_at": "2022-09-04T14:43:14.959593Z",
"structure_string": "Mn8 F28\n1.0\n5.209960 0.000000 0.000000\n0.000000 7.369539 0.000000\n0.000000 1.873638 12.933455\nMn F\n8 28\ndirect\n0.766186 0.974378 0.108991 Mn\n0.263558 0.921349 0.320499 Mn\n0.770027 0.578950 0.679771 Mn\n0.256289 0.525614 0.890058 Mn\n0.756289 0.474386 0.109942 Mn\n0.270027 0.421050 0.320229 Mn\n0.763558 0.078651 0.679501 Mn\n0.266186 0.025622 0.891009 Mn\n0.942878 0.996523 0.803662 F\n0.540122 0.945652 0.392606 F\n0.658104 0.829609 0.678836 F\n0.365246 0.777177 0.882862 F\n0.068639 0.843893 0.426553 F\n0.079030 0.946208 0.010356 F\n0.963536 0.890680 0.228417 F\n0.949931 0.592202 0.813988 F\n0.061657 0.645098 0.619269 F\n0.656187 0.727050 0.099167 F\n0.367644 0.675204 0.303251 F\n0.599469 0.565253 0.566371 F\n0.474511 0.508416 0.760940 F\n0.537960 0.458462 0.974354 F\n0.037960 0.541538 0.025646 F\n0.974511 0.491584 0.239060 F\n0.099469 0.434747 0.433629 F\n0.867644 0.324796 0.696749 F\n0.156187 0.272950 0.900833 F\n0.561657 0.354902 0.380731 F\n0.449931 0.407798 0.186012 F\n0.463536 0.109320 0.771583 F\n0.579030 0.053792 0.989644 F\n0.568639 0.156107 0.573447 F\n0.865246 0.222823 0.117138 F\n0.158104 0.170391 0.321164 F\n0.040122 0.054348 0.607394 F\n0.442878 0.003477 0.196338 F\n",
"nsites": 36,
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"elements": [
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"density": 3.248512910776182,
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"volume": 496.5800488079053,
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"formula_full": "Mn8 F28",
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"spacegroup": 4
},
{
"id": "mp-971948",
"created_at": "2022-09-04T14:43:14.972314Z",
"structure_string": "Zn3 Co1\n1.0\n-1.818701 1.818701 3.954257\n1.818701 -1.818701 3.954257\n1.818701 1.818701 -3.954257\nZn Co\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Co\n",
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"formula_full": "Zn3 Co1",
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},
{
"id": "mp-1040927",
"created_at": "2022-09-04T14:43:14.990502Z",
"structure_string": "Mg4 Ta8 Cu8 O32\n1.0\n8.609476 0.000000 0.000000\n0.000000 6.651698 0.000000\n0.000000 0.436495 12.276079\nMg Ta Cu O\n4 8 8 32\ndirect\n0.839630 0.888833 0.050757 Mg\n0.160370 0.111167 0.949243 Mg\n0.339630 0.111167 0.449243 Mg\n0.660370 0.888833 0.550757 Mg\n0.544064 0.903016 0.844002 Ta\n0.955936 0.903016 0.344002 Ta\n0.912779 0.385551 0.135972 Ta\n0.044064 0.096984 0.655998 Ta\n0.087221 0.614449 0.864028 Ta\n0.412779 0.614449 0.364028 Ta\n0.587221 0.385551 0.635972 Ta\n0.455936 0.096984 0.155998 Ta\n0.815927 0.233377 0.877298 Cu\n0.939514 0.626344 0.622772 Cu\n0.060486 0.373656 0.377228 Cu\n0.184073 0.766623 0.122702 Cu\n0.684073 0.233377 0.377298 Cu\n0.560486 0.626344 0.122772 Cu\n0.315927 0.766623 0.622702 Cu\n0.439514 0.373656 0.877228 Cu\n0.756293 0.960533 0.400240 O\n0.983285 0.347596 0.602133 O\n0.424344 0.813641 0.471964 O\n0.924344 0.186359 0.028036 O\n0.743707 0.960533 0.900240 O\n0.243707 0.039467 0.599760 O\n0.888508 0.913392 0.612107 O\n0.104127 0.499859 0.138655 O\n0.395873 0.499859 0.638655 O\n0.126362 0.703165 0.715563 O\n0.626362 0.296835 0.784437 O\n0.895873 0.500141 0.861345 O\n0.111492 0.086608 0.387893 O\n0.455479 0.115820 0.305269 O\n0.719801 0.588407 0.585503 O\n0.780199 0.588407 0.085503 O\n0.955479 0.884180 0.194731 O\n0.604127 0.500141 0.361345 O\n0.544521 0.884180 0.694731 O\n0.575656 0.186359 0.528036 O\n0.516715 0.347596 0.102133 O\n0.873638 0.296835 0.284437 O\n0.256293 0.039467 0.099760 O\n0.611492 0.913392 0.112107 O\n0.075656 0.813641 0.971964 O\n0.219801 0.411593 0.914497 O\n0.016715 0.652404 0.397867 O\n0.483285 0.652404 0.897867 O\n0.388508 0.086608 0.887893 O\n0.280199 0.411593 0.414497 O\n0.373638 0.703165 0.215563 O\n0.044521 0.115820 0.805269 O\n",
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"elements": [
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],
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"density": 6.058892646007207,
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"volume": 703.0220026901934,
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"formula_full": "Mg4 Ta8 Cu8 O32",
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"spacegroup": 14
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{
"id": "mp-1216233",
"created_at": "2022-09-04T14:43:14.979429Z",
"structure_string": "Y2 Ti12 Cu9 O36\n1.0\n-3.722647 -3.722647 3.722647\n0.000000 -7.424996 -7.424996\n7.424996 -7.424996 0.000000\nY Ti Cu O\n2 12 9 36\ndirect\n0.004722 0.000000 0.000000 Y\n0.661945 0.333333 0.333333 Y\n0.833333 0.166667 0.166667 Ti\n0.496829 0.506028 0.508419 Ti\n0.169838 0.827305 0.824914 Ti\n0.173982 0.333333 0.333333 Ti\n0.833333 0.666667 0.666667 Ti\n0.492685 0.000000 0.000000 Ti\n0.496829 0.508419 0.985553 Ti\n0.169838 0.824914 0.347780 Ti\n0.833333 0.166667 0.666667 Ti\n0.169838 0.347780 0.827305 Ti\n0.833333 0.666667 0.166667 Ti\n0.496829 0.985553 0.506028 Ti\n0.996245 0.498898 0.498871 Cu\n0.670422 0.834435 0.834462 Cu\n0.333333 0.166667 0.166667 Cu\n0.670422 0.331101 0.834435 Cu\n0.333333 0.666667 0.166667 Cu\n0.996245 0.002232 0.498898 Cu\n0.333333 0.166667 0.666667 Cu\n0.996245 0.498871 0.002232 Cu\n0.670422 0.834462 0.331101 Cu\n0.245701 0.441945 0.622817 O\n0.918565 0.784584 0.959055 O\n0.583869 0.117792 0.292204 O\n0.351008 0.350122 0.175977 O\n0.003965 0.684067 0.502563 O\n0.686365 0.016482 0.842943 O\n0.980302 0.316851 0.490390 O\n0.662701 0.649267 0.830771 O\n0.315659 0.983211 0.157356 O\n0.082797 0.215542 0.041130 O\n0.748102 0.548749 0.374278 O\n0.420966 0.891388 0.710516 O\n0.420966 0.398095 0.891388 O\n0.082797 0.743329 0.215542 O\n0.748102 0.076973 0.548749 O\n0.662701 0.519963 0.649267 O\n0.315659 0.859433 0.983211 O\n0.980302 0.192758 0.316851 O\n0.686365 0.140575 0.016482 O\n0.351008 0.473900 0.350122 O\n0.003965 0.813371 0.684067 O\n0.918565 0.256360 0.784584 O\n0.583869 0.590005 0.117792 O\n0.245701 0.935238 0.441945 O\n0.003965 0.502563 0.813371 O\n0.686365 0.842943 0.140575 O\n0.351008 0.175977 0.473900 O\n0.583869 0.292204 0.590005 O\n0.245701 0.622817 0.935238 O\n0.918565 0.959055 0.256360 O\n0.748102 0.374278 0.076973 O\n0.420966 0.710516 0.398095 O\n0.082797 0.041130 0.743329 O\n0.315659 0.157356 0.859433 O\n0.980302 0.490390 0.192758 O\n0.662701 0.830771 0.519963 O\n",
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"formula_full": "Y2 Ti12 Cu9 O36",
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{
"id": "mp-1080859",
"created_at": "2022-09-04T14:43:14.979756Z",
"structure_string": "Ce16 Se32\n1.0\n-7.068767 7.068767 11.645773\n7.068767 -7.068767 11.645773\n7.068767 7.068767 -11.645773\nCe Se\n16 32\ndirect\n0.188429 0.717045 0.272885 Ce\n0.688429 0.415544 0.471384 Ce\n0.165544 0.194160 0.227115 Ce\n0.665544 0.438429 0.971384 Ce\n0.561571 0.532955 0.227115 Ce\n0.061571 0.834456 0.028616 Ce\n0.584456 0.055840 0.272885 Ce\n0.084456 0.811571 0.528616 Ce\n0.944160 0.217045 0.528616 Ce\n0.444160 0.915544 0.727115 Ce\n0.467045 0.694160 0.028616 Ce\n0.967045 0.938429 0.772885 Ce\n0.805840 0.032955 0.971384 Ce\n0.305840 0.334456 0.772885 Ce\n0.282955 0.555840 0.471384 Ce\n0.782955 0.311571 0.727115 Ce\n0.870389 0.870389 0.000000 Se\n0.370389 0.370389 0.000000 Se\n0.120389 0.620389 0.500000 Se\n0.620389 0.120389 0.500000 Se\n0.879611 0.379611 0.500000 Se\n0.379611 0.879611 0.500000 Se\n0.629611 0.629611 0.000000 Se\n0.129611 0.129611 0.000000 Se\n0.912635 0.875000 0.537635 Se\n0.412635 0.875000 0.037635 Se\n0.625000 0.087365 0.962365 Se\n0.125000 0.162635 0.537635 Se\n0.837365 0.375000 0.962365 Se\n0.337365 0.375000 0.462365 Se\n0.625000 0.587365 0.462365 Se\n0.125000 0.662635 0.037635 Se\n0.530920 0.723018 0.251803 Se\n0.030920 0.779116 0.807902 Se\n0.529116 0.221215 0.248197 Se\n0.029116 0.780920 0.307902 Se\n0.219080 0.526982 0.248197 Se\n0.719080 0.470884 0.692098 Se\n0.220884 0.028785 0.251803 Se\n0.720884 0.469080 0.192098 Se\n0.971215 0.223018 0.192098 Se\n0.471215 0.279116 0.748197 Se\n0.473018 0.721215 0.692098 Se\n0.973018 0.280920 0.751803 Se\n0.778785 0.026982 0.307902 Se\n0.278785 0.970884 0.751803 Se\n0.276982 0.528785 0.807902 Se\n0.776982 0.969080 0.748197 Se\n",
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{
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"structure_string": "Sm6 Hg2\n1.0\n3.518823 -6.094780 0.000000\n3.518823 6.094780 0.000000\n0.000000 0.000000 5.502024\nSm Hg\n6 2\ndirect\n0.174261 0.348522 0.250000 Sm\n0.651478 0.825739 0.250000 Sm\n0.174261 0.825739 0.250000 Sm\n0.825739 0.651478 0.750000 Sm\n0.348522 0.174261 0.750000 Sm\n0.825739 0.174261 0.750000 Sm\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
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{
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"structure_string": "Lu1 Cu1 Se2\n1.0\n2.032522 -3.520431 0.000000\n2.032522 3.520431 0.000000\n0.000000 0.000000 6.375557\nLu Cu Se\n1 1 2\ndirect\n0.000000 0.000000 0.800679 Lu\n0.666667 0.333333 0.178032 Cu\n0.333333 0.666667 0.072230 Se\n0.666667 0.333333 0.568259 Se\n",
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{
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{
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{
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"formula_full": "Y1 Cd1 Rh2",
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"formula_anonymous": "ABC2",
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]
}