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{
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{
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"structure_string": "Li1 Mg6 W1\n1.0\n3.168993 -5.219368 0.000000\n3.168993 5.219368 0.000000\n0.000000 0.000000 4.849277\nLi Mg W\n1 6 1\ndirect\n0.664391 0.335609 0.000000 Li\n0.662726 0.829641 0.000000 Mg\n0.170359 0.337274 0.000000 Mg\n0.852581 0.669995 0.500000 Mg\n0.330005 0.147419 0.500000 Mg\n0.831529 0.168471 0.500000 Mg\n0.324590 0.675410 0.500000 Mg\n0.163824 0.836176 0.000000 W\n",
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{
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"structure_string": "Zn4 Cu4 O8\n1.0\n2.893614 0.000000 0.000000\n-1.430423 8.228939 0.000000\n-1.413758 -0.399246 8.296494\nZn Cu O\n4 4 8\ndirect\n0.914396 0.571331 0.269421 Zn\n0.085604 0.428669 0.730579 Zn\n0.295962 0.214280 0.380631 Zn\n0.704038 0.785720 0.619369 Zn\n0.318460 0.688881 0.944746 Cu\n0.099233 0.889310 0.308110 Cu\n0.900767 0.110690 0.691890 Cu\n0.681540 0.311119 0.055254 Cu\n0.090082 0.268384 0.911079 O\n0.315837 0.941106 0.692301 O\n0.684163 0.058894 0.307699 O\n0.909918 0.731616 0.088921 O\n0.699612 0.611388 0.779226 O\n0.545895 0.717006 0.389164 O\n0.300388 0.388612 0.220774 O\n0.454105 0.282994 0.610836 O\n",
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"formula_full": "Zn4 Cu4 O8",
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},
{
"id": "mp-12120",
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"structure_string": "Fe2 N2\n1.0\n1.369195 -2.371516 0.000000\n1.369195 2.371516 0.000000\n0.000000 0.000000 5.004323\nFe N\n2 2\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.750000 N\n0.333333 0.666667 0.250000 N\n",
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"density": 7.138210994500016,
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"spacegroup": 194
},
{
"id": "mp-10287",
"created_at": "2022-09-04T14:47:14.297987Z",
"structure_string": "Rb1 Mn1 Te2\n1.0\n-2.196809 2.196809 7.384537\n2.196809 -2.196809 7.384537\n2.196809 2.196809 -7.384537\nRb Mn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Mn\n0.349995 0.349995 0.000000 Te\n0.650005 0.650005 0.000000 Te\n",
"nsites": 4,
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"density": 4.608333878144455,
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"formula_full": "Rb1 Mn1 Te2",
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},
{
"id": "mp-753219",
"created_at": "2022-09-04T14:47:14.329446Z",
"structure_string": "Li3 Mn1 Ni3 O8\n1.0\n2.860715 5.093929 0.000000\n-2.860715 5.093929 0.000000\n0.000000 3.320736 4.829256\nLi Mn Ni O\n3 1 3 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.268352 0.268352 0.222602 O\n0.756357 0.242182 0.219479 O\n0.776118 0.776118 0.205445 O\n0.242182 0.756357 0.219479 O\n0.757818 0.243643 0.780521 O\n0.223882 0.223882 0.794555 O\n0.243643 0.757818 0.780521 O\n0.731648 0.731648 0.777398 O\n",
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"formula_full": "Li3 Mn1 Ni3 O8",
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"updated_at": "2021-11-28T01:37:55.762000Z",
"spacegroup": 12
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{
"id": "mp-561845",
"created_at": "2022-09-04T14:47:14.793754Z",
"structure_string": "Yb12 Au24 F108\n1.0\n9.332647 0.000000 0.000000\n0.000000 11.356031 0.000000\n0.000000 0.000000 22.222093\nYb Au F\n12 24 108\ndirect\n0.042459 0.404524 0.915451 Yb\n0.542459 0.095476 0.915451 Yb\n0.314973 0.000000 0.750000 Yb\n0.957541 0.404524 0.415451 Yb\n0.042459 0.595476 0.584549 Yb\n0.457541 0.095476 0.415451 Yb\n0.685027 0.000000 0.250000 Yb\n0.957541 0.595476 0.084549 Yb\n0.814973 0.500000 0.750000 Yb\n0.542459 0.904524 0.584549 Yb\n0.185027 0.500000 0.250000 Yb\n0.457541 0.904524 0.084549 Yb\n0.660520 0.609552 0.490781 Au\n0.861901 0.286826 0.171195 Au\n0.160520 0.109552 0.009219 Au\n0.932697 0.926023 0.664885 Au\n0.339480 0.390448 0.509219 Au\n0.567303 0.573977 0.164885 Au\n0.638099 0.213174 0.671195 Au\n0.861901 0.713174 0.328805 Au\n0.138099 0.286826 0.671195 Au\n0.361901 0.213174 0.171195 Au\n0.138099 0.713174 0.828805 Au\n0.067303 0.926023 0.164885 Au\n0.932697 0.073977 0.835115 Au\n0.432697 0.426023 0.835115 Au\n0.660520 0.390448 0.009219 Au\n0.339480 0.609552 0.990781 Au\n0.432697 0.573977 0.664885 Au\n0.160520 0.890448 0.490781 Au\n0.638099 0.786826 0.828805 Au\n0.567303 0.426023 0.335115 Au\n0.839480 0.890448 0.990781 Au\n0.839480 0.109552 0.509219 Au\n0.361901 0.786826 0.328805 Au\n0.067303 0.073977 0.335115 Au\n0.913115 0.394153 0.106051 F\n0.221630 0.285142 0.119242 F\n0.507474 0.415075 0.066908 F\n0.267615 0.880005 0.152332 F\n0.303036 0.318599 0.236219 F\n0.631136 0.525794 0.677218 F\n0.992526 0.084925 0.566908 F\n0.003641 0.358461 0.224412 F\n0.868864 0.025794 0.322782 F\n0.278370 0.214858 0.619242 F\n0.696964 0.681401 0.763781 F\n0.267615 0.119995 0.347668 F\n0.997169 0.221680 0.871021 F\n0.191541 0.634338 0.051521 F\n0.921301 0.261555 0.488157 F\n0.691541 0.134338 0.448479 F\n0.421301 0.761555 0.011843 F\n0.578699 0.761555 0.511843 F\n0.002831 0.221680 0.371021 F\n0.078699 0.738445 0.511843 F\n0.502831 0.721680 0.128979 F\n0.761006 0.956927 0.532788 F\n0.996359 0.358461 0.724412 F\n0.221630 0.714858 0.380758 F\n0.131136 0.025794 0.822782 F\n0.997169 0.778320 0.628979 F\n0.308459 0.134338 0.948479 F\n0.278370 0.785142 0.880758 F\n0.196964 0.818599 0.763781 F\n0.372501 0.575107 0.800288 F\n0.767615 0.380005 0.347668 F\n0.778370 0.285142 0.619242 F\n0.086885 0.394153 0.606051 F\n0.918447 0.550007 0.664976 F\n0.086885 0.605847 0.893949 F\n0.913115 0.605847 0.393949 F\n0.413115 0.105847 0.106051 F\n0.196964 0.181401 0.736219 F\n0.767615 0.619995 0.152332 F\n0.418447 0.050007 0.835024 F\n0.503641 0.858461 0.275588 F\n0.081553 0.550007 0.164976 F\n0.497169 0.278320 0.871021 F\n0.261006 0.543073 0.532788 F\n0.232385 0.380005 0.847668 F\n0.808459 0.365662 0.948479 F\n0.761006 0.043073 0.967212 F\n0.721630 0.785142 0.380758 F\n0.238994 0.043073 0.467212 F\n0.127499 0.924893 0.300288 F\n0.496359 0.141539 0.724412 F\n0.500000 0.000000 0.000000 F\n0.778370 0.714858 0.880758 F\n0.631136 0.474206 0.822782 F\n0.492526 0.415075 0.566908 F\n0.238994 0.956927 0.032788 F\n0.696964 0.318599 0.736219 F\n0.007474 0.084925 0.066908 F\n0.131136 0.974206 0.677218 F\n0.803036 0.818599 0.263781 F\n0.738994 0.543073 0.032788 F\n0.992526 0.915075 0.933092 F\n0.502831 0.278320 0.371021 F\n0.003641 0.641539 0.275588 F\n0.691541 0.865662 0.051521 F\n0.803036 0.181401 0.236219 F\n0.732385 0.880005 0.652332 F\n0.578699 0.238445 0.988157 F\n0.507474 0.584925 0.433092 F\n0.372501 0.424893 0.699712 F\n0.308459 0.865662 0.551521 F\n0.368864 0.525794 0.177218 F\n0.868864 0.974206 0.177218 F\n0.421301 0.238445 0.488157 F\n0.808459 0.634338 0.551521 F\n0.872501 0.075107 0.699712 F\n0.368864 0.474206 0.322782 F\n0.732385 0.119995 0.847668 F\n0.261006 0.456927 0.967212 F\n0.996359 0.641539 0.775588 F\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.586885 0.105847 0.606051 F\n0.232385 0.619995 0.652332 F\n0.627499 0.424893 0.199712 F\n0.581553 0.050007 0.335024 F\n0.002831 0.778320 0.128979 F\n0.418447 0.949993 0.664976 F\n0.497169 0.721680 0.628979 F\n0.627499 0.575107 0.300288 F\n0.496359 0.858461 0.775588 F\n0.127499 0.075107 0.199712 F\n0.007474 0.915075 0.433092 F\n0.581553 0.949993 0.164976 F\n0.586885 0.894153 0.893949 F\n0.503641 0.141539 0.224412 F\n0.738994 0.456927 0.467212 F\n0.000000 0.500000 0.500000 F\n0.081553 0.449993 0.335024 F\n0.918447 0.449993 0.835024 F\n0.921301 0.738445 0.011843 F\n0.872501 0.924893 0.800288 F\n0.413115 0.894153 0.393949 F\n0.492526 0.584925 0.933092 F\n0.721630 0.214858 0.119242 F\n0.191541 0.365662 0.448479 F\n0.303036 0.681401 0.263781 F\n0.078699 0.261555 0.988157 F\n",
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{
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{
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"structure_string": "Ba1 Eu1 Cr4 O12\n1.0\n5.931101 0.000000 -0.000000\n0.000000 5.931101 0.000000\n0.000000 0.000000 8.257924\nBa Eu Cr O\n1 1 4 12\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.500000 Eu\n0.000000 0.500000 0.749403 Cr\n0.000000 0.500000 0.250597 Cr\n0.500000 0.000000 0.749403 Cr\n0.500000 0.000000 0.250597 Cr\n0.245386 0.245386 0.744879 O\n0.245386 0.245386 0.255121 O\n0.754614 0.754614 0.255121 O\n0.754614 0.754614 0.744879 O\n0.754614 0.245386 0.744879 O\n0.754614 0.245386 0.255121 O\n0.245386 0.754614 0.255121 O\n0.245386 0.754614 0.744879 O\n0.000000 0.500000 0.500000 O\n0.000000 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": "Nd2 Zn1 Hg1\n1.0\n0.000000 3.775311 3.775311\n3.775311 0.000000 3.775311\n3.775311 3.775311 0.000000\nNd Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
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{
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}