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{
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{
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{
"id": "mp-769457",
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"structure_string": "Li8 Ti8 Cr2 Fe8 O36\n1.0\n2.944630 0.000000 0.000000\n0.000000 9.252806 0.000000\n0.000000 0.000000 25.248742\nLi Ti Cr Fe O\n8 8 2 8 36\ndirect\n0.000000 0.196237 0.989916 Li\n0.000000 0.198743 0.184441 Li\n0.000000 0.301257 0.684441 Li\n0.000000 0.303763 0.489916 Li\n0.000000 0.696237 0.510084 Li\n0.000000 0.698743 0.315559 Li\n0.000000 0.801257 0.815559 Li\n0.000000 0.803763 0.010084 Li\n0.000000 0.998303 0.099555 Ti\n0.500000 0.157576 0.809057 Ti\n0.500000 0.342424 0.309057 Ti\n0.000000 0.501697 0.599555 Ti\n0.000000 0.498303 0.400445 Ti\n0.500000 0.657576 0.690943 Ti\n0.500000 0.842424 0.190943 Ti\n0.000000 0.001697 0.900445 Ti\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.999019 0.307672 Fe\n0.500000 0.150714 0.586511 Fe\n0.500000 0.349286 0.086511 Fe\n0.000000 0.500981 0.807672 Fe\n0.000000 0.499019 0.192328 Fe\n0.500000 0.650714 0.913489 Fe\n0.500000 0.849286 0.413489 Fe\n0.000000 0.000981 0.692328 Fe\n0.000000 0.992625 0.424194 O\n0.000000 0.007375 0.575806 O\n0.500000 0.061381 0.943874 O\n0.500000 0.042328 0.156623 O\n0.500000 0.132797 0.665641 O\n0.000000 0.105660 0.759812 O\n0.500000 0.143535 0.503172 O\n0.500000 0.137691 0.293907 O\n0.000000 0.185558 0.858424 O\n0.000000 0.199115 0.082235 O\n0.000000 0.300885 0.582235 O\n0.000000 0.314442 0.358424 O\n0.500000 0.362309 0.793907 O\n0.500000 0.356465 0.003172 O\n0.000000 0.394340 0.259812 O\n0.500000 0.367203 0.165641 O\n0.500000 0.457672 0.656623 O\n0.500000 0.438619 0.443874 O\n0.000000 0.492625 0.075806 O\n0.000000 0.507375 0.924194 O\n0.500000 0.561381 0.556126 O\n0.500000 0.542328 0.343377 O\n0.500000 0.632797 0.834359 O\n0.000000 0.605660 0.740188 O\n0.500000 0.643535 0.996828 O\n0.500000 0.637691 0.206093 O\n0.000000 0.685558 0.641576 O\n0.000000 0.699115 0.417765 O\n0.000000 0.800885 0.917765 O\n0.000000 0.814442 0.141576 O\n0.500000 0.862309 0.706093 O\n0.500000 0.856465 0.496828 O\n0.000000 0.894340 0.240188 O\n0.500000 0.867203 0.334359 O\n0.500000 0.957672 0.843377 O\n0.500000 0.938619 0.056126 O\n",
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"formula_full": "Li8 Ti8 Cr2 Fe8 O36",
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{
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"structure_string": "Dy2 Er6\n1.0\n3.588690 -6.215793 0.000000\n3.588690 6.215793 0.000000\n0.000000 0.000000 5.612627\nDy Er\n2 6\ndirect\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.166248 0.332496 0.250000 Er\n0.667504 0.833752 0.250000 Er\n0.166248 0.833752 0.250000 Er\n0.833752 0.667504 0.750000 Er\n0.332496 0.166248 0.750000 Er\n0.833752 0.166248 0.750000 Er\n",
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{
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"structure_string": "Pr2 Ti4 Zn2 O12\n1.0\n5.380510 0.000000 0.000000\n0.000000 5.640589 0.000000\n0.000000 0.000000 7.719763\nPr Ti Zn O\n2 4 2 12\ndirect\n0.014623 0.690084 0.000000 Pr\n0.514623 0.309916 0.500000 Pr\n0.004154 0.226868 0.748370 Ti\n0.004154 0.226868 0.251630 Ti\n0.504154 0.773132 0.248370 Ti\n0.504154 0.773132 0.751630 Ti\n0.506271 0.295721 0.000000 Zn\n0.006271 0.704279 0.500000 Zn\n0.078350 0.234012 0.500000 O\n0.203180 0.957755 0.797058 O\n0.203180 0.957755 0.202942 O\n0.306234 0.443118 0.194848 O\n0.306234 0.443118 0.805152 O\n0.373379 0.727366 0.500000 O\n0.578350 0.765988 0.000000 O\n0.703180 0.042245 0.702942 O\n0.703180 0.042245 0.297058 O\n0.806234 0.556882 0.694848 O\n0.806234 0.556882 0.305152 O\n0.873379 0.272634 0.000000 O\n",
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{
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"formula_full": "Li4 Ti3 V2 Cu3 O16",
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{
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},
{
"id": "mp-1096600",
"created_at": "2022-09-04T14:39:07.108854Z",
"structure_string": "Nb2 Tc1 Mo1\n1.0\n-4.597789 5.656057 8.126722\n4.597789 -5.656057 8.126722\n4.597789 5.656057 -8.126722\nNb Tc Mo\n2 1 1\ndirect\n0.000000 0.251234 0.251234 Nb\n0.000000 0.748766 0.748766 Nb\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Mo\n",
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]
}