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{
"id": "mp-1274711",
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"structure_string": "Fe4 B4 O12\n1.0\n-4.980186 -0.000046 -0.422249\n1.984920 4.325021 5.650633\n-1.984875 4.325210 -5.650807\nFe B O\n4 4 12\ndirect\n0.750130 0.750244 0.249674 Fe\n0.499857 0.499685 0.500269 Fe\n0.250128 0.250242 0.749682 Fe\n0.999863 0.999679 0.000275 Fe\n0.874999 0.208256 0.458271 B\n0.375002 0.708248 0.958264 B\n0.625008 0.291730 0.041704 B\n0.125008 0.791738 0.541703 B\n0.875088 0.048590 0.298619 O\n0.375096 0.548596 0.798597 O\n0.624911 0.451442 0.201410 O\n0.124897 0.951421 0.701419 O\n0.634841 0.287064 0.538502 O\n0.134840 0.787049 0.038506 O\n0.615051 0.788594 0.037172 O\n0.115060 0.288605 0.537169 O\n0.384704 0.211352 0.962941 O\n0.884711 0.711357 0.462923 O\n0.365409 0.713058 0.461440 O\n0.865399 0.213052 0.961460 O\n",
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{
"id": "mp-568360",
"created_at": "2022-09-04T14:40:12.988271Z",
"structure_string": "Ce26 Zn116\n1.0\n14.560283 0.000000 0.000000\n-7.280142 12.609575 0.000000\n0.000000 0.000000 14.007479\nCe Zn\n26 116\ndirect\n0.794891 0.589781 0.948650 Ce\n0.410219 0.205109 0.551350 Ce\n0.082588 0.541294 0.750000 Ce\n0.205109 0.794891 0.448650 Ce\n0.205109 0.410219 0.448650 Ce\n0.872570 0.127430 0.250000 Ce\n0.205109 0.794891 0.051350 Ce\n0.541294 0.458706 0.250000 Ce\n0.127430 0.872570 0.750000 Ce\n0.127430 0.254860 0.750000 Ce\n0.410219 0.205109 0.948650 Ce\n0.794891 0.589781 0.551350 Ce\n0.872570 0.745140 0.250000 Ce\n0.794891 0.205109 0.551350 Ce\n0.589781 0.794891 0.051350 Ce\n0.917412 0.458706 0.250000 Ce\n0.254860 0.127430 0.250000 Ce\n0.000000 0.000000 0.500000 Ce\n0.458706 0.917412 0.750000 Ce\n0.205109 0.410219 0.051350 Ce\n0.745140 0.872570 0.750000 Ce\n0.541294 0.082588 0.250000 Ce\n0.458706 0.541294 0.750000 Ce\n0.000000 0.000000 0.000000 Ce\n0.589781 0.794891 0.448650 Ce\n0.794891 0.205109 0.948650 Ce\n0.474061 0.237030 0.157854 Zn\n0.964997 0.634420 0.397387 Zn\n0.201482 0.000000 0.000000 Zn\n0.730858 0.461716 0.750000 Zn\n0.333333 0.666667 0.097344 Zn\n0.905328 0.094672 0.843739 Zn\n0.718855 0.634469 0.750000 Zn\n0.035002 0.365580 0.897387 Zn\n0.762970 0.237030 0.342146 Zn\n0.365531 0.281145 0.750000 Zn\n0.128727 0.564363 0.142834 Zn\n0.905328 0.810655 0.843739 Zn\n0.669422 0.634420 0.397387 Zn\n0.964997 0.330578 0.397387 Zn\n0.035002 0.669422 0.602613 Zn\n0.666667 0.333333 0.597344 Zn\n0.000000 0.500000 0.500000 Zn\n0.634420 0.669422 0.602613 Zn\n0.000000 0.798518 0.500000 Zn\n0.398321 0.796642 0.948934 Zn\n0.564363 0.435637 0.857166 Zn\n0.915615 0.634469 0.750000 Zn\n0.094672 0.189345 0.343739 Zn\n0.201482 0.201482 0.000000 Zn\n0.634469 0.718855 0.250000 Zn\n0.269142 0.730858 0.250000 Zn\n0.000000 0.798518 0.000000 Zn\n1.000000 0.201482 0.000000 Zn\n1.000000 0.201482 0.500000 Zn\n0.634420 0.964997 0.602613 Zn\n0.798518 0.798518 0.000000 Zn\n0.669422 0.035002 0.102613 Zn\n0.500000 0.000000 0.500000 Zn\n0.237030 0.474061 0.657854 Zn\n0.333333 0.666667 0.750000 Zn\n0.094672 0.189345 0.156261 Zn\n0.128727 0.564363 0.357166 Zn\n0.237030 0.474061 0.842146 Zn\n0.398321 0.796642 0.551066 Zn\n0.798518 0.798518 0.500000 Zn\n0.461716 0.730858 0.250000 Zn\n0.365580 0.035002 0.397387 Zn\n0.435637 0.871273 0.357166 Zn\n0.718855 0.084385 0.750000 Zn\n0.094672 0.905328 0.156261 Zn\n0.094672 0.905328 0.343739 Zn\n0.634420 0.669422 0.897387 Zn\n0.201482 0.201482 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.435637 0.564363 0.357166 Zn\n0.666667 0.333333 0.902656 Zn\n0.601679 0.398321 0.051066 Zn\n0.905328 0.810655 0.656261 Zn\n0.035002 0.365580 0.602613 Zn\n0.730858 0.269142 0.750000 Zn\n0.905328 0.094672 0.656261 Zn\n0.964997 0.634420 0.102613 Zn\n0.084385 0.365531 0.250000 Zn\n0.601679 0.203358 0.448934 Zn\n0.203358 0.601679 0.948934 Zn\n0.762970 0.525939 0.157854 Zn\n0.564363 0.435637 0.642834 Zn\n0.798518 0.000000 0.500000 Zn\n0.964997 0.330578 0.102613 Zn\n0.500000 0.000000 0.000000 Zn\n0.365580 0.330578 0.397387 Zn\n0.669422 0.634420 0.102613 Zn\n0.333333 0.666667 0.402656 Zn\n0.000000 0.000000 0.250000 Zn\n0.762970 0.525939 0.342146 Zn\n0.810655 0.905328 0.156261 Zn\n0.915615 0.281145 0.750000 Zn\n0.564363 0.128727 0.642834 Zn\n0.330578 0.964997 0.897387 Zn\n0.435637 0.564363 0.142834 Zn\n0.035002 0.669422 0.897387 Zn\n0.669422 0.035002 0.397387 Zn\n0.601679 0.398321 0.448934 Zn\n0.796642 0.398321 0.448934 Zn\n0.871273 0.435637 0.857166 Zn\n0.365531 0.084385 0.750000 Zn\n0.330578 0.365580 0.897387 Zn\n0.237030 0.762970 0.657854 Zn\n0.084385 0.718855 0.250000 Zn\n0.525939 0.762970 0.842146 Zn\n0.189345 0.094672 0.843739 Zn\n0.810655 0.905328 0.343739 Zn\n0.666667 0.333333 0.250000 Zn\n0.398321 0.601679 0.948934 Zn\n0.000000 0.000000 0.750000 Zn\n0.203358 0.601679 0.551066 Zn\n0.398321 0.601679 0.551066 Zn\n0.189345 0.094672 0.656261 Zn\n0.525939 0.762970 0.657854 Zn\n0.762970 0.237030 0.157854 Zn\n0.500000 0.500000 0.500000 Zn\n0.796642 0.398321 0.051066 Zn\n0.237030 0.762970 0.842146 Zn\n0.634469 0.915615 0.250000 Zn\n0.330578 0.365580 0.602613 Zn\n0.601679 0.203358 0.051066 Zn\n0.871273 0.435637 0.642834 Zn\n0.201482 0.000000 0.500000 Zn\n0.365580 0.035002 0.102613 Zn\n0.330578 0.964997 0.602613 Zn\n0.564363 0.128727 0.857166 Zn\n0.281145 0.915615 0.250000 Zn\n0.281145 0.365531 0.250000 Zn\n0.000000 0.500000 0.000000 Zn\n0.474061 0.237030 0.342146 Zn\n0.634420 0.964997 0.897387 Zn\n0.798518 0.000000 0.000000 Zn\n0.365580 0.330578 0.102613 Zn\n0.269142 0.538284 0.250000 Zn\n0.435637 0.871273 0.142834 Zn\n0.538284 0.269142 0.750000 Zn\n",
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"elements": [
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"density": 7.251308755100779,
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"formula_full": "Ce26 Zn116",
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{
"id": "mp-752441",
"created_at": "2022-09-04T14:40:13.036696Z",
"structure_string": "Sr6 Cr6 O18\n1.0\n2.752558 -4.767570 0.000000\n2.752558 4.767570 0.000000\n0.000000 0.000000 13.533804\nSr Cr O\n6 6 18\ndirect\n0.333333 0.666667 0.091220 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.408780 Sr\n0.666667 0.333333 0.591220 Sr\n0.666667 0.333333 0.908780 Sr\n0.333333 0.666667 0.842850 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666667 0.657150 Cr\n0.666667 0.333333 0.157150 Cr\n0.666667 0.333333 0.342850 Cr\n0.164331 0.328661 0.582407 O\n0.164331 0.328661 0.917593 O\n0.487464 0.512536 0.750000 O\n0.671339 0.835669 0.582407 O\n0.671339 0.835669 0.917593 O\n0.025072 0.512536 0.750000 O\n0.487464 0.974928 0.750000 O\n0.164331 0.835669 0.582407 O\n0.164331 0.835669 0.917593 O\n0.835669 0.164331 0.082407 O\n0.835669 0.164331 0.417593 O\n0.512536 0.025072 0.250000 O\n0.974928 0.487464 0.250000 O\n0.328661 0.164331 0.082407 O\n0.328661 0.164331 0.417593 O\n0.512536 0.487464 0.250000 O\n0.835669 0.671339 0.417593 O\n0.835669 0.671339 0.082407 O\n",
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{
"id": "mp-3598",
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"structure_string": "Ba6 Ru6 O18\n1.0\n2.899262 -5.021669 0.000000\n2.899262 5.021669 0.000000\n0.000000 0.000000 14.252885\nBa Ru O\n6 6 18\ndirect\n0.333333 0.666667 0.411945 Ba\n0.666667 0.333333 0.911945 Ba\n0.666667 0.333333 0.588055 Ba\n0.333333 0.666667 0.088055 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.333333 0.666667 0.839409 Ru\n0.666667 0.333333 0.339409 Ru\n0.666667 0.333333 0.160591 Ru\n0.333333 0.666667 0.660591 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.835164 0.670329 0.419698 O\n0.329671 0.164836 0.419698 O\n0.835164 0.164836 0.419698 O\n0.164836 0.835164 0.919698 O\n0.164836 0.835164 0.580302 O\n0.164836 0.329671 0.919698 O\n0.670329 0.835164 0.919698 O\n0.329671 0.164836 0.080302 O\n0.835164 0.670329 0.080302 O\n0.164836 0.329671 0.580302 O\n0.670329 0.835164 0.580302 O\n0.835164 0.164836 0.080302 O\n0.510824 0.489176 0.250000 O\n0.021648 0.510824 0.750000 O\n0.489176 0.978352 0.750000 O\n0.510824 0.021648 0.250000 O\n0.978352 0.489176 0.250000 O\n0.489176 0.510824 0.750000 O\n",
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{
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{
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{
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"structure_string": "Lu2 Cu2 Si2\n1.0\n2.053883 -3.557429 0.000000\n2.053883 3.557429 0.000000\n0.000000 0.000000 7.217266\nLu Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n",
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{
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"structure_string": "Ac2 Pr6\n1.0\n3.781934 -6.550501 0.000000\n3.781934 6.550501 0.000000\n0.000000 0.000000 6.241265\nAc Pr\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.163406 0.326813 0.250000 Pr\n0.673187 0.836594 0.250000 Pr\n0.163406 0.836594 0.250000 Pr\n0.836594 0.673187 0.750000 Pr\n0.326813 0.163406 0.750000 Pr\n0.836594 0.163406 0.750000 Pr\n",
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