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{
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{
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{
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"structure_string": "Li2 Co2 P4 O14\n1.0\n6.207111 0.000000 0.000000\n0.806074 6.156417 0.000000\n0.436434 2.635093 6.176974\nLi Co P O\n2 2 4 14\ndirect\n0.013262 0.714617 0.830784 Li\n0.986738 0.285383 0.169216 Li\n0.636563 0.089790 0.788610 Co\n0.363437 0.910210 0.211390 Co\n0.601035 0.652952 0.649717 P\n0.871893 0.781447 0.235668 P\n0.128107 0.218553 0.764332 P\n0.398965 0.347048 0.350283 P\n0.587471 0.396012 0.801408 O\n0.412529 0.603988 0.198592 O\n0.321134 0.221290 0.217268 O\n0.393876 0.779592 0.519499 O\n0.678866 0.778710 0.782732 O\n0.955873 0.063924 0.755104 O\n0.950205 0.603779 0.142868 O\n0.049795 0.396221 0.857132 O\n0.207612 0.353253 0.522427 O\n0.792388 0.646747 0.477573 O\n0.044127 0.936076 0.244896 O\n0.606124 0.220408 0.480501 O\n0.333708 0.043626 0.882692 O\n0.666292 0.956374 0.117308 O\n",
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"formula_full": "Li2 Co2 P4 O14",
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"formula_anonymous": "ABC2D7",
"energy": -160.00219052,
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{
"id": "mp-1211208",
"created_at": "2022-09-04T14:47:24.272531Z",
"structure_string": "Mg16 Mo12 O48\n1.0\n5.240825 0.000000 0.000000\n0.000000 10.744006 0.000000\n0.000000 0.000000 17.351539\nMg Mo O\n16 12 48\ndirect\n0.078952 0.250000 0.250312 Mg\n0.921048 0.750000 0.749688 Mg\n0.421048 0.750000 0.750312 Mg\n0.578952 0.250000 0.249688 Mg\n0.232779 0.071523 0.526899 Mg\n0.767221 0.928477 0.473101 Mg\n0.267221 0.928477 0.026899 Mg\n0.767221 0.571523 0.473101 Mg\n0.732779 0.071523 0.973101 Mg\n0.232779 0.428477 0.526899 Mg\n0.732779 0.428477 0.973101 Mg\n0.267221 0.571523 0.026899 Mg\n0.256135 0.250000 0.697111 Mg\n0.743865 0.750000 0.302889 Mg\n0.243865 0.750000 0.197111 Mg\n0.756135 0.250000 0.802889 Mg\n0.295391 0.533871 0.334241 Mo\n0.704609 0.466129 0.665759 Mo\n0.204609 0.466129 0.834241 Mo\n0.704609 0.033871 0.665759 Mo\n0.795391 0.533871 0.165759 Mo\n0.295391 0.966129 0.334241 Mo\n0.795391 0.966129 0.165759 Mo\n0.204609 0.033871 0.834241 Mo\n0.270486 0.250000 0.054835 Mo\n0.729514 0.750000 0.945165 Mo\n0.229514 0.750000 0.554835 Mo\n0.770486 0.250000 0.445165 Mo\n0.055892 0.250000 0.505917 O\n0.944108 0.750000 0.494083 O\n0.444108 0.750000 0.005917 O\n0.555892 0.250000 0.994083 O\n0.079176 0.114855 0.036681 O\n0.920824 0.885145 0.963319 O\n0.420824 0.885145 0.536681 O\n0.920824 0.614855 0.963319 O\n0.579176 0.114855 0.463319 O\n0.079176 0.385145 0.036681 O\n0.579176 0.385145 0.463319 O\n0.420824 0.614855 0.536681 O\n0.091795 0.001941 0.423631 O\n0.908205 0.998059 0.576369 O\n0.408205 0.998059 0.923631 O\n0.908205 0.501941 0.576369 O\n0.591795 0.001941 0.076369 O\n0.091795 0.498059 0.423631 O\n0.591795 0.498059 0.076369 O\n0.408205 0.501941 0.923631 O\n0.328604 0.122218 0.291306 O\n0.671396 0.877782 0.708694 O\n0.171396 0.877782 0.791306 O\n0.671396 0.622218 0.708694 O\n0.828604 0.122218 0.208694 O\n0.328604 0.377782 0.291306 O\n0.828604 0.377782 0.208694 O\n0.171396 0.622218 0.791306 O\n0.335616 0.250000 0.155813 O\n0.664384 0.750000 0.844187 O\n0.164384 0.750000 0.655813 O\n0.835616 0.250000 0.344187 O\n0.044974 0.626258 0.275930 O\n0.955026 0.373742 0.724070 O\n0.455026 0.373742 0.775930 O\n0.955026 0.126258 0.724070 O\n0.544974 0.626258 0.224070 O\n0.044974 0.873742 0.275930 O\n0.544974 0.873742 0.224070 O\n0.455026 0.126258 0.775930 O\n0.059947 0.622790 0.120410 O\n0.940053 0.377210 0.879590 O\n0.440053 0.377210 0.620410 O\n0.940053 0.122790 0.879590 O\n0.559947 0.622790 0.379590 O\n0.059947 0.877210 0.120410 O\n0.559947 0.877210 0.379590 O\n0.440053 0.122790 0.620410 O\n",
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"formula_full": "Mg16 Mo12 O48",
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{
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"created_at": "2022-09-04T14:47:24.275508Z",
"structure_string": "Nd1 Eu1 Ge4 O12\n1.0\n6.757018 0.000000 0.000000\n0.000000 6.757018 0.000000\n0.000000 0.000000 9.524759\nNd Eu Ge O\n1 1 4 12\ndirect\n-0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Eu\n-0.000000 0.500000 0.744836 Ge\n-0.000000 0.500000 0.255164 Ge\n0.500000 0.000000 0.744836 Ge\n0.500000 -0.000000 0.255164 Ge\n0.246282 0.246282 0.753225 O\n0.246282 0.246282 0.246775 O\n0.753718 0.753718 0.246775 O\n0.753718 0.753718 0.753225 O\n0.753718 0.246282 0.753225 O\n0.753718 0.246282 0.246775 O\n0.246282 0.753718 0.246775 O\n0.246282 0.753718 0.753225 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "Li1 La8 Cu3 O16\n1.0\n7.091025 0.000000 0.000000\n-2.035502 7.293604 0.000000\n-1.015308 -4.193581 7.275291\nLi La Cu O\n1 8 3 16\ndirect\n0.000654 0.749562 0.500606 Li\n0.274619 0.840658 0.320272 La\n0.722202 0.169189 0.675875 La\n0.276396 0.328422 0.326280 La\n0.278091 0.592530 0.815296 La\n0.277149 0.098699 0.817879 La\n0.723410 0.657509 0.681393 La\n0.722443 0.907444 0.186091 La\n0.723152 0.402065 0.183175 La\n0.000287 0.249948 0.500265 Cu\n0.001019 0.498226 0.001279 Cu\n0.997096 0.002245 0.997511 Cu\n0.995675 0.630113 0.246458 O\n0.628462 0.293665 0.411119 O\n0.003998 0.126608 0.249551 O\n0.006869 0.495387 0.500635 O\n0.634787 0.800974 0.401401 O\n0.633723 0.546208 0.903059 O\n0.629246 0.053923 0.897996 O\n0.362279 0.704787 0.592508 O\n0.996977 0.375341 0.749986 O\n0.993329 0.006504 0.498602 O\n0.996446 0.747698 0.000471 O\n0.997098 0.247647 0.000692 O\n0.368816 0.212102 0.582423 O\n0.370723 0.450126 0.089380 O\n0.367908 0.957937 0.085236 O\n0.004567 0.872055 0.752965 O\n",
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{
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