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{
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{
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{
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{
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{
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{
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"structure_string": "Ti2 C1\n1.0\n4.895817 -1.542635 0.000000\n4.895817 1.542635 0.000000\n4.409745 0.000000 2.627337\nTi C\n2 1\ndirect\n0.245909 0.245909 0.245909 Ti\n0.754091 0.754091 0.754091 Ti\n0.500000 0.500000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:40:10.232184Z",
"structure_string": "Ca3 La5 Mn7 Ni1 O24\n1.0\n5.495316 0.000000 0.000000\n-0.000634 7.784299 0.000000\n-0.016788 -0.002791 11.058740\nCa La Mn Ni O\n3 5 7 1 24\ndirect\n0.486964 0.751655 0.270171 Ca\n0.989115 0.250970 0.482585 Ca\n0.515876 0.248756 0.727626 Ca\n0.007331 0.753887 0.018871 La\n0.505202 0.247687 0.237860 La\n0.003044 0.749200 0.510818 La\n0.493602 0.751835 0.765245 La\n0.995408 0.246112 0.983398 La\n0.999495 0.502792 0.252437 Mn\n0.498774 0.495361 0.500176 Mn\n0.000437 0.493312 0.747359 Mn\n0.001557 0.998998 0.252315 Mn\n0.499793 0.003662 0.500423 Mn\n0.998522 0.004785 0.747628 Mn\n0.501191 0.500274 0.000514 Mn\n0.500295 0.000635 0.999947 Ni\n0.431737 0.258382 0.014234 O\n0.789563 0.036323 0.113611 O\n0.784865 0.462964 0.109235 O\n0.280407 0.544188 0.141535 O\n0.273202 0.960749 0.145573 O\n0.919665 0.751849 0.248673 O\n0.066521 0.249411 0.256303 O\n0.720476 0.038034 0.361655 O\n0.718044 0.463131 0.361621 O\n0.218871 0.537718 0.388529 O\n0.221385 0.961114 0.390367 O\n0.564607 0.751533 0.498096 O\n0.420316 0.247888 0.503418 O\n0.783668 0.460087 0.608585 O\n0.785837 0.040443 0.606208 O\n0.278418 0.540143 0.639287 O\n0.279434 0.959242 0.638934 O\n0.931934 0.750455 0.740923 O\n0.086055 0.248201 0.758849 O\n0.725658 0.039801 0.853345 O\n0.722270 0.455454 0.857401 O\n0.218700 0.539189 0.891523 O\n0.209906 0.961406 0.886906 O\n0.571855 0.742370 0.987817 O\n",
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{
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"structure_string": "Mg12 Sb2 W2\n1.0\n5.189201 0.000000 0.000000\n0.000000 5.913558 0.000000\n0.000000 0.000000 10.745313\nMg Sb W\n12 2 2\ndirect\n0.500000 0.248290 0.417368 Mg\n0.500000 0.751710 0.417368 Mg\n0.000000 0.761767 0.084806 Mg\n0.000000 0.238233 0.084806 Mg\n0.000000 0.000000 0.324743 Mg\n0.000000 0.500000 0.335074 Mg\n0.500000 0.748290 0.917368 Mg\n0.500000 0.251710 0.917368 Mg\n0.000000 0.261767 0.584806 Mg\n0.000000 0.738233 0.584806 Mg\n0.000000 0.500000 0.824743 Mg\n0.000000 0.000000 0.835074 Mg\n0.500000 0.500000 0.169586 Sb\n0.500000 0.000000 0.669586 Sb\n0.500000 0.000000 0.166245 W\n0.500000 0.500000 0.666245 W\n",
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{
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"structure_string": "Sr2 Lu1 Cu2 Bi2 O8\n1.0\n3.780662 -0.000000 -0.000000\n-0.000000 3.780662 -0.000000\n-1.890331 -1.890331 15.271758\nSr Lu Cu Bi O\n2 1 2 2 8\ndirect\n0.114678 0.114678 0.229355 Sr\n0.885322 0.885322 0.770645 Sr\n-0.000000 0.000000 -0.000000 Lu\n0.447843 0.447843 0.895685 Cu\n0.552157 0.552157 0.104315 Cu\n0.295155 0.295155 0.590311 Bi\n0.704845 0.704845 0.409689 Bi\n0.046847 0.546847 0.093694 O\n0.953153 0.453153 0.906306 O\n0.546847 0.046847 0.093694 O\n0.453153 0.953153 0.906306 O\n0.202894 0.202894 0.405788 O\n0.797106 0.797106 0.594212 O\n0.365453 0.365453 0.730907 O\n0.634547 0.634547 0.269093 O\n",
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{
"id": "mp-684020",
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"structure_string": "Ce24 C12 I34\n1.0\n6.279430 9.922820 0.000000\n-6.279430 9.922820 0.000000\n0.000000 0.080578 19.270046\nCe C I\n24 12 34\ndirect\n0.072889 0.019796 0.154651 Ce\n0.573671 0.098267 0.884478 Ce\n0.701824 0.285740 0.978021 Ce\n0.098267 0.573671 0.384478 Ce\n0.019796 0.072889 0.654651 Ce\n0.357337 0.356873 0.049117 Ce\n0.927111 0.980204 0.845349 Ce\n0.643127 0.642663 0.450883 Ce\n0.545385 0.536018 0.126873 Ce\n0.454615 0.463982 0.873127 Ce\n0.356873 0.357337 0.549117 Ce\n0.285740 0.701824 0.478021 Ce\n0.901733 0.426329 0.615522 Ce\n0.536018 0.545385 0.626873 Ce\n0.714260 0.298176 0.521979 Ce\n0.806037 0.338275 0.787596 Ce\n0.426329 0.901733 0.115522 Ce\n0.980204 0.927111 0.345349 Ce\n0.642663 0.643127 0.950883 Ce\n0.463982 0.454615 0.373127 Ce\n0.661725 0.193963 0.712404 Ce\n0.193963 0.661725 0.212404 Ce\n0.338275 0.806037 0.287596 Ce\n0.298176 0.714260 0.021979 Ce\n0.278074 0.633036 0.348943 C\n0.533651 0.533453 0.988453 C\n0.165003 0.744734 0.346462 C\n0.255266 0.834997 0.153538 C\n0.533453 0.533651 0.488453 C\n0.466547 0.466349 0.511547 C\n0.633036 0.278074 0.848943 C\n0.366964 0.721926 0.151057 C\n0.834997 0.255266 0.653538 C\n0.721926 0.366964 0.651057 C\n0.466349 0.466547 0.011547 C\n0.744734 0.165003 0.846462 C\n0.395733 0.900425 0.442366 I\n0.793262 0.813690 0.899292 I\n0.910519 0.398702 0.448240 I\n0.398702 0.910519 0.948240 I\n0.284263 0.806086 0.639963 I\n0.115162 0.098857 0.304761 I\n0.604267 0.099575 0.557634 I\n0.308908 0.286366 0.396987 I\n0.884838 0.901143 0.695239 I\n0.971600 0.501328 0.756418 I\n0.423663 0.372578 0.208910 I\n0.186310 0.206738 0.600708 I\n0.806086 0.284263 0.139963 I\n0.713634 0.691092 0.103013 I\n0.089481 0.601298 0.551760 I\n0.028400 0.498672 0.243582 I\n0.691092 0.713634 0.603013 I\n0.715737 0.193914 0.360037 I\n0.286366 0.308908 0.896987 I\n0.627422 0.576337 0.291090 I\n0.098857 0.115162 0.804761 I\n0.206738 0.186310 0.100708 I\n0.601298 0.089481 0.051760 I\n0.498672 0.028400 0.743582 I\n0.813690 0.793262 0.399292 I\n0.099575 0.604267 0.057634 I\n0.501328 0.971600 0.256418 I\n0.576337 0.627422 0.791090 I\n0.372578 0.423663 0.708910 I\n0.900425 0.395733 0.942366 I\n0.901143 0.884838 0.195239 I\n0.193914 0.715737 0.860037 I\n0.000000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n",
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{
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"elements": [
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],
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"density": 9.79356413829151,
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"formula_full": "Er4 Fe8",
"formula_reduced": "ErFe2",
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{
"id": "mp-551685",
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"structure_string": "Pb4 O2\n1.0\n5.472354 0.000000 0.000000\n0.000000 5.472354 0.000000\n0.000000 0.000000 5.472354\nPb O\n4 2\ndirect\n0.750000 0.750000 0.250000 Pb\n0.750000 0.250000 0.750000 Pb\n0.250000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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"elements": [
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"density": 8.722243354793145,
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"formula_full": "Pb4 O2",
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}
]
}