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{
"id": "mp-1096968",
"created_at": "2022-09-04T14:41:50.851764Z",
"structure_string": "Cr32 N64\n1.0\n10.437404 -12.757128 0.000000\n10.437404 12.757128 0.000000\n0.000000 0.000000 9.158106\nCr N\n32 64\ndirect\n0.117588 0.882412 0.938023 Cr\n0.882412 0.117588 0.061977 Cr\n0.117588 0.882412 0.561977 Cr\n0.882412 0.117588 0.438023 Cr\n0.243854 0.756146 0.064249 Cr\n0.756146 0.243854 0.935751 Cr\n0.243854 0.756146 0.435751 Cr\n0.756146 0.243854 0.564249 Cr\n0.129349 0.585644 0.936053 Cr\n0.585644 0.129349 0.063947 Cr\n0.129349 0.585644 0.563947 Cr\n0.585644 0.129349 0.436053 Cr\n0.870651 0.414356 0.063947 Cr\n0.414356 0.870651 0.936053 Cr\n0.870651 0.414356 0.436053 Cr\n0.414356 0.870651 0.563947 Cr\n0.932110 0.605201 0.936320 Cr\n0.605201 0.932110 0.063680 Cr\n0.932110 0.605201 0.563680 Cr\n0.605201 0.932110 0.436320 Cr\n0.067890 0.394799 0.063680 Cr\n0.394799 0.067890 0.936320 Cr\n0.067890 0.394799 0.436320 Cr\n0.394799 0.067890 0.563680 Cr\n0.922514 0.794723 0.061241 Cr\n0.794723 0.922514 0.938759 Cr\n0.922514 0.794723 0.438759 Cr\n0.794723 0.922514 0.561241 Cr\n0.077486 0.205277 0.938759 Cr\n0.205277 0.077486 0.061241 Cr\n0.077486 0.205277 0.561241 Cr\n0.205277 0.077486 0.438759 Cr\n0.110691 0.889309 0.750000 N\n0.889309 0.110691 0.250000 N\n0.183372 0.816628 0.978632 N\n0.816628 0.183372 0.021368 N\n0.183372 0.816628 0.521368 N\n0.816628 0.183372 0.478632 N\n0.020258 0.844250 0.007744 N\n0.844250 0.020258 0.992256 N\n0.020258 0.844250 0.492256 N\n0.844250 0.020258 0.507744 N\n0.979742 0.155750 0.992256 N\n0.155750 0.979742 0.007744 N\n0.979742 0.155750 0.507744 N\n0.155750 0.979742 0.492256 N\n0.233862 0.766138 0.250000 N\n0.766138 0.233862 0.750000 N\n0.209247 0.653204 0.020363 N\n0.653204 0.209247 0.979637 N\n0.209247 0.653204 0.479637 N\n0.653204 0.209247 0.520363 N\n0.790753 0.346796 0.979637 N\n0.346796 0.790753 0.020363 N\n0.790753 0.346796 0.520363 N\n0.346796 0.790753 0.479637 N\n0.142051 0.592618 0.750000 N\n0.592618 0.142051 0.250000 N\n0.857949 0.407382 0.250000 N\n0.407382 0.857949 0.750000 N\n0.034619 0.609675 0.976333 N\n0.609675 0.034619 0.023667 N\n0.034619 0.609675 0.523667 N\n0.609675 0.034619 0.476333 N\n0.965381 0.390325 0.023667 N\n0.390325 0.965381 0.976333 N\n0.965381 0.390325 0.476333 N\n0.390325 0.965381 0.523667 N\n0.875681 0.516304 0.013831 N\n0.516304 0.875681 0.986169 N\n0.875681 0.516304 0.486169 N\n0.516304 0.875681 0.513831 N\n0.124319 0.483696 0.986169 N\n0.483696 0.124319 0.013831 N\n0.124319 0.483696 0.513831 N\n0.483696 0.124319 0.486169 N\n0.921303 0.596754 0.750000 N\n0.596754 0.921303 0.250000 N\n0.078697 0.403246 0.250000 N\n0.403246 0.078697 0.750000 N\n0.902221 0.696007 0.991748 N\n0.696007 0.902221 0.008252 N\n0.902221 0.696007 0.508252 N\n0.696007 0.902221 0.491748 N\n0.097779 0.303993 0.008252 N\n0.303993 0.097779 0.991748 N\n0.097779 0.303993 0.491748 N\n0.303993 0.097779 0.508252 N\n0.919347 0.790001 0.250000 N\n0.790001 0.919347 0.750000 N\n0.080653 0.209999 0.750000 N\n0.209999 0.080653 0.250000 N\n0.852607 0.852607 0.000000 N\n0.852607 0.852607 0.500000 N\n0.147393 0.147393 0.000000 N\n0.147393 0.147393 0.500000 N\n",
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"elements": [
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"volume": 2438.8274171839303,
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"formula_full": "Cr32 N64",
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"spacegroup": 63
},
{
"id": "mp-1189188",
"created_at": "2022-09-04T14:42:05.526752Z",
"structure_string": "Ho12 Ni4\n1.0\n0.000000 0.000000 6.262922\n6.806703 0.000000 0.000000\n0.000000 9.534901 0.000000\nHo Ni\n12 4\ndirect\n0.321032 0.678361 0.066395 Ho\n0.178968 0.178361 0.433605 Ho\n0.678968 0.321639 0.566395 Ho\n0.821032 0.821639 0.933605 Ho\n0.678968 0.321639 0.933605 Ho\n0.821032 0.821639 0.566395 Ho\n0.321032 0.678361 0.433605 Ho\n0.178968 0.178361 0.066395 Ho\n0.859261 0.533723 0.250000 Ho\n0.640739 0.033723 0.250000 Ho\n0.140739 0.466277 0.750000 Ho\n0.359261 0.966277 0.750000 Ho\n0.054015 0.890589 0.250000 Ni\n0.445985 0.390589 0.250000 Ni\n0.945985 0.109411 0.750000 Ni\n0.554015 0.609411 0.750000 Ni\n",
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"elements": [
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"density": 9.044497641210329,
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"volume": 406.47139907224613,
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"formula_full": "Ho12 Ni4",
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},
{
"id": "mp-1210733",
"created_at": "2022-09-04T14:43:36.661949Z",
"structure_string": "Lu16 Mg4 Rh4\n1.0\n0.000000 6.730349 6.730349\n6.730349 0.000000 6.730349\n6.730349 6.730349 0.000000\nLu Mg Rh\n16 4 4\ndirect\n0.347234 0.347234 0.347234 Lu\n0.347234 0.347234 0.958299 Lu\n0.347234 0.958299 0.347234 Lu\n0.958299 0.347234 0.347234 Lu\n0.812989 0.187011 0.187011 Lu\n0.187011 0.812989 0.812989 Lu\n0.187011 0.812989 0.187011 Lu\n0.812989 0.187011 0.812989 Lu\n0.187011 0.187011 0.812989 Lu\n0.812989 0.812989 0.187011 Lu\n0.936236 0.563764 0.563764 Lu\n0.563764 0.936236 0.936236 Lu\n0.563764 0.936236 0.563764 Lu\n0.936236 0.563764 0.936236 Lu\n0.563764 0.563764 0.936236 Lu\n0.936236 0.936236 0.563764 Lu\n0.579818 0.579818 0.579818 Mg\n0.579818 0.579818 0.260545 Mg\n0.579818 0.260545 0.579818 Mg\n0.260545 0.579818 0.579818 Mg\n0.141931 0.141931 0.141931 Rh\n0.141931 0.141931 0.574206 Rh\n0.141931 0.574206 0.141931 Rh\n0.574206 0.141931 0.141931 Rh\n",
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"elements": [
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},
{
"id": "mp-1205301",
"created_at": "2022-09-04T14:41:49.050901Z",
"structure_string": "Y12 H4\n1.0\n3.674630 0.000000 0.000000\n0.000000 6.365873 0.000000\n0.000000 0.000000 17.377804\nY H\n12 4\ndirect\n0.000000 0.665966 0.411035 Y\n0.000000 0.334034 0.588965 Y\n0.000000 0.665966 0.088965 Y\n0.000000 0.334034 0.911035 Y\n0.000000 0.328753 0.250000 Y\n0.000000 0.671247 0.750000 Y\n0.500000 0.170558 0.417057 Y\n0.500000 0.829442 0.582943 Y\n0.500000 0.170558 0.082943 Y\n0.500000 0.829442 0.917057 Y\n0.500000 0.833541 0.250000 Y\n0.500000 0.166459 0.750000 Y\n0.000000 0.332201 0.379964 H\n0.000000 0.667799 0.620036 H\n0.000000 0.332201 0.120036 H\n0.000000 0.667799 0.879964 H\n",
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{
"id": "mp-1224045",
"created_at": "2022-09-04T14:39:05.824627Z",
"structure_string": "In1 Ga5 As4\n1.0\n-2.906622 -2.906622 0.000000\n0.000000 2.906622 -2.906622\n9.055585 -11.962207 -9.055585\nIn Ga As\n1 5 4\ndirect\n0.354087 0.645913 0.937738 In\n0.991954 0.008046 0.024138 Ga\n0.595777 0.404223 0.212669 Ga\n0.199257 0.800743 0.402228 Ga\n0.802789 0.197211 0.591634 Ga\n0.406078 0.593922 0.781765 Ga\n0.945243 0.054757 0.164270 As\n0.548190 0.451810 0.355431 As\n0.151457 0.848543 0.545629 As\n0.755168 0.244832 0.734497 As\n",
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{
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"structure_string": "Na2 Mg6\n1.0\n3.303747 -5.722257 0.000000\n3.303747 5.722257 0.000000\n0.000000 0.000000 5.375889\nNa Mg\n2 6\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n0.162646 0.325293 0.250000 Mg\n0.162646 0.837354 0.250000 Mg\n0.674707 0.837354 0.250000 Mg\n0.325293 0.162646 0.750000 Mg\n0.837354 0.162646 0.750000 Mg\n0.837354 0.674707 0.750000 Mg\n",
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{
"id": "mp-755738",
"created_at": "2022-09-04T14:41:29.138945Z",
"structure_string": "Rb8 O4\n1.0\n4.736416 0.000000 0.000000\n0.000000 7.303639 0.000000\n0.000000 0.000000 8.813853\nRb O\n8 4\ndirect\n0.250000 0.009849 0.154178 Rb\n0.250000 0.134991 0.588902 Rb\n0.750000 0.365009 0.088902 Rb\n0.750000 0.490151 0.654178 Rb\n0.250000 0.509849 0.345822 Rb\n0.250000 0.634991 0.911098 Rb\n0.750000 0.865009 0.411098 Rb\n0.750000 0.990151 0.845822 Rb\n0.750000 0.258018 0.407945 O\n0.250000 0.241982 0.907945 O\n0.750000 0.758018 0.092055 O\n0.250000 0.741982 0.592055 O\n",
"nsites": 12,
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],
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"density": 4.072346934346211,
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"volume": 304.898256871826,
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"formula_full": "Rb8 O4",
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{
"id": "mp-1227912",
"created_at": "2022-09-04T14:47:07.917479Z",
"structure_string": "Ca22 Cd36 Au8\n1.0\n-5.214735 5.214735 15.416909\n5.214735 -5.214735 15.416909\n5.214735 5.214735 -15.416909\nCa Cd Au\n22 36 8\ndirect\n0.523350 0.523350 0.000000 Ca\n0.273350 0.773350 0.500000 Ca\n0.982203 0.482203 0.500000 Ca\n0.232203 0.232203 0.000000 Ca\n0.625216 0.125216 0.500000 Ca\n0.875216 0.875216 0.000000 Ca\n0.692668 0.485325 0.792656 Ca\n0.235325 0.942668 0.292656 Ca\n0.650012 0.942668 0.707344 Ca\n0.692668 0.900012 0.207344 Ca\n0.807456 0.513653 0.706197 Ca\n0.263653 0.057456 0.206197 Ca\n0.851259 0.057456 0.793803 Ca\n0.807456 0.101259 0.293803 Ca\n0.410649 0.192499 0.781850 Ca\n0.942499 0.660649 0.281850 Ca\n0.378799 0.660649 0.718150 Ca\n0.410649 0.628799 0.218150 Ca\n0.085052 0.792649 0.707597 Ca\n0.542649 0.335052 0.207597 Ca\n0.127455 0.335052 0.792403 Ca\n0.085052 0.377455 0.292403 Ca\n0.740042 0.374182 0.930659 Cd\n0.443523 0.374182 0.634139 Cd\n0.124182 0.990042 0.430659 Cd\n0.559383 0.990042 0.865861 Cd\n0.740042 0.809383 0.365861 Cd\n0.443523 0.809383 0.069341 Cd\n0.124182 0.693523 0.134139 Cd\n0.559383 0.693523 0.569341 Cd\n0.762077 0.628262 0.573993 Cd\n0.054269 0.628262 0.866185 Cd\n0.378262 0.012077 0.073993 Cd\n0.938084 0.012077 0.633815 Cd\n0.762077 0.188084 0.133815 Cd\n0.054269 0.188084 0.426007 Cd\n0.378262 0.304269 0.366185 Cd\n0.938084 0.304269 0.926007 Cd\n0.024765 0.499142 0.022864 Cd\n0.476278 0.499142 0.474377 Cd\n0.249142 0.274765 0.522864 Cd\n0.751901 0.274765 0.025623 Cd\n0.024765 0.001901 0.525623 Cd\n0.476278 0.001901 0.977136 Cd\n0.249142 0.726278 0.974377 Cd\n0.751901 0.726278 0.477136 Cd\n0.870934 0.231421 0.639512 Cd\n0.591909 0.231421 0.360488 Cd\n0.981421 0.120934 0.139512 Cd\n0.981421 0.841909 0.860488 Cd\n0.627896 0.768314 0.859582 Cd\n0.908732 0.768314 0.140418 Cd\n0.518314 0.877896 0.359582 Cd\n0.518314 0.158732 0.640418 Cd\n0.193278 0.895976 0.702698 Cd\n0.645976 0.443278 0.202698 Cd\n0.240579 0.443278 0.797302 Cd\n0.193278 0.490579 0.297302 Cd\n0.624318 0.624318 0.000000 Au\n0.374318 0.874318 0.500000 Au\n0.876861 0.376861 0.500000 Au\n0.126861 0.126861 0.000000 Au\n0.306733 0.102785 0.796053 Au\n0.852785 0.556733 0.296053 Au\n0.260680 0.556733 0.703947 Au\n0.306733 0.510680 0.203947 Au\n",
"nsites": 66,
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"elements": [
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],
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"density": 6.440568030494615,
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"volume": 1676.9564619421878,
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"formula_full": "Ca22 Cd36 Au8",
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"formula_anonymous": "A4B11C18",
"energy": -131.83834594,
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},
{
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{
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{
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"structure_string": "Eu1 P1\n1.0\n0.000000 2.939923 2.939923\n2.939923 0.000000 2.939923\n2.939923 2.939923 0.000000\nEu P\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 P\n",
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{
"id": "mp-29745",
"created_at": "2022-09-04T14:45:59.467371Z",
"structure_string": "Na8 Mn8 Se12\n1.0\n7.006694 7.827988 0.000000\n-7.006694 7.827988 0.000000\n0.000000 3.379260 6.486128\nNa Mn Se\n8 8 12\ndirect\n0.019900 0.189566 0.360969 Na\n0.810434 0.980100 0.139031 Na\n0.980100 0.810434 0.639031 Na\n0.189566 0.019900 0.860969 Na\n0.720918 0.279082 0.250000 Na\n0.279082 0.720918 0.750000 Na\n0.430117 0.569883 0.250000 Na\n0.569883 0.430117 0.750000 Na\n0.446699 0.919392 0.241944 Mn\n0.080608 0.553301 0.258056 Mn\n0.553301 0.080608 0.758056 Mn\n0.919392 0.446699 0.741944 Mn\n0.634083 0.786313 0.703613 Mn\n0.213687 0.365917 0.796387 Mn\n0.365917 0.213687 0.296387 Mn\n0.786313 0.634083 0.203613 Mn\n0.227188 0.997524 0.452609 Se\n0.002476 0.772812 0.047391 Se\n0.772812 0.002476 0.547391 Se\n0.997524 0.227188 0.952609 Se\n0.853438 0.415834 0.450265 Se\n0.584166 0.146562 0.049735 Se\n0.146562 0.584166 0.549735 Se\n0.415834 0.853438 0.950265 Se\n0.571213 0.721849 0.433556 Se\n0.278151 0.428787 0.066444 Se\n0.428787 0.278151 0.566444 Se\n0.721849 0.571213 0.933556 Se\n",
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]
}