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{
"id": "mp-753378",
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"structure_string": "Ta2 Ga2 O8\n1.0\n4.670979 0.000000 0.000000\n0.000000 5.007901 0.000000\n0.000000 0.000000 5.650893\nTa Ga O\n2 2 8\ndirect\n0.000000 0.000000 0.820066 Ta\n0.500000 0.000000 0.320066 Ta\n0.000000 0.500000 0.169742 Ga\n0.500000 0.500000 0.669742 Ga\n0.773247 0.168436 0.115393 O\n0.772783 0.676948 0.889703 O\n0.727217 0.676948 0.389703 O\n0.726753 0.168436 0.615393 O\n0.272783 0.323052 0.389703 O\n0.273247 0.831564 0.615393 O\n0.226753 0.831564 0.115393 O\n0.227217 0.323052 0.889703 O\n",
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{
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"spacegroup": 140
},
{
"id": "mp-632311",
"created_at": "2022-09-04T14:48:22.346504Z",
"structure_string": "Ta2 H1\n1.0\n3.388072 0.000000 0.000000\n0.000000 3.388072 0.000000\n0.000000 0.000000 3.426501\nTa H\n2 1\ndirect\n0.500000 0.000000 0.739821 Ta\n0.000000 0.500000 0.260179 Ta\n0.000000 0.000000 0.000000 H\n",
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"elements": [
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"spacegroup": 115
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{
"id": "mp-1216180",
"created_at": "2022-09-04T14:48:22.358787Z",
"structure_string": "Yb29 Se32\n1.0\n-5.900150 5.900150 11.813624\n5.900150 -5.900150 11.813624\n5.900150 5.900150 -11.813624\nYb Se\n29 32\ndirect\n0.126171 0.873658 0.747486 Yb\n0.374914 0.624496 0.249581 Yb\n0.625086 0.375504 0.750419 Yb\n0.873829 0.126342 0.252514 Yb\n0.747523 0.747523 0.495045 Yb\n0.000000 0.500000 0.000000 Yb\n0.252477 0.252477 0.504955 Yb\n0.500000 0.000000 0.000000 Yb\n0.873658 0.126171 0.747486 Yb\n0.126342 0.873829 0.252514 Yb\n0.375504 0.625086 0.750419 Yb\n0.624496 0.374914 0.249581 Yb\n0.625086 0.874667 0.249581 Yb\n0.873829 0.621315 0.747486 Yb\n0.126171 0.378685 0.252514 Yb\n0.374914 0.125333 0.750419 Yb\n0.000000 0.000000 0.500000 Yb\n0.252477 0.747523 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.747523 0.252477 0.000000 Yb\n0.125333 0.374914 0.750419 Yb\n0.378685 0.126171 0.252514 Yb\n0.621315 0.873829 0.747486 Yb\n0.874667 0.625086 0.249581 Yb\n0.500000 0.000000 0.500000 Yb\n0.750698 0.750698 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.249302 0.249302 0.000000 Yb\n0.000000 0.000000 0.000000 Yb\n0.875192 0.875192 0.500496 Se\n0.124808 0.625304 0.000000 Se\n0.374696 0.374696 0.499504 Se\n0.625304 0.124808 0.000000 Se\n0.124808 0.124808 0.499504 Se\n0.374696 0.875192 0.000000 Se\n0.625304 0.625304 0.500496 Se\n0.875192 0.374696 0.000000 Se\n0.751327 0.000000 0.751327 Se\n0.995520 0.749841 0.245679 Se\n0.245056 0.500000 0.745056 Se\n0.495838 0.250159 0.245679 Se\n0.377316 0.877316 0.500000 Se\n0.626938 0.626938 0.000000 Se\n0.877316 0.377316 0.500000 Se\n0.124249 0.124249 0.000000 Se\n0.500000 0.245056 0.745056 Se\n0.749841 0.995520 0.245679 Se\n0.000000 0.751327 0.751327 Se\n0.250159 0.495838 0.245679 Se\n0.248673 0.000000 0.248673 Se\n0.504162 0.749841 0.754321 Se\n0.754944 0.500000 0.254944 Se\n0.004480 0.250159 0.754321 Se\n0.622684 0.122684 0.500000 Se\n0.875751 0.875751 0.000000 Se\n0.122684 0.622684 0.500000 Se\n0.373062 0.373062 0.000000 Se\n0.500000 0.754944 0.254944 Se\n0.749841 0.504162 0.754321 Se\n0.000000 0.248673 0.248673 Se\n0.250159 0.004480 0.754321 Se\n",
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"density": 7.616092200577331,
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"volume": 1645.0126472811462,
"volume_molar": 16.240160186733267,
"formula_full": "Yb29 Se32",
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"updated_at": "2021-11-28T01:39:06.025000Z",
"spacegroup": 139
},
{
"id": "mp-757027",
"created_at": "2022-09-04T14:48:22.402686Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n5.128523 0.000000 0.000000\n0.000000 6.860979 0.000000\n0.000000 0.000000 10.330478\nLi Fe P O\n4 4 4 16\ndirect\n0.244403 0.001413 0.147522 Li\n0.744403 0.501413 0.352478 Li\n0.244403 0.498587 0.647522 Li\n0.744403 0.998587 0.852478 Li\n0.245914 0.501656 0.161861 Fe\n0.745914 0.001656 0.338139 Fe\n0.245914 0.998344 0.661861 Fe\n0.745914 0.498344 0.838139 Fe\n0.749632 0.255353 0.097000 P\n0.249632 0.755353 0.403000 P\n0.749632 0.244647 0.597000 P\n0.249632 0.744647 0.903000 P\n0.199622 0.743433 0.051186 O\n0.047687 0.250648 0.126801 O\n0.622268 0.069257 0.154417 O\n0.636531 0.441485 0.162670 O\n0.136531 0.941485 0.337330 O\n0.122268 0.569257 0.345583 O\n0.547687 0.750648 0.373199 O\n0.699622 0.243433 0.448814 O\n0.199622 0.756567 0.551186 O\n0.047687 0.249352 0.626801 O\n0.622268 0.430743 0.654417 O\n0.636531 0.058515 0.662670 O\n0.136531 0.558515 0.837330 O\n0.122268 0.930743 0.845583 O\n0.547687 0.749352 0.873199 O\n0.699622 0.256567 0.948814 O\n",
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{
"id": "mp-558115",
"created_at": "2022-09-04T14:48:22.424444Z",
"structure_string": "Si40 O80\n1.0\n14.551761 -6.960310 0.000000\n14.551761 6.960310 0.000000\n11.222548 0.000000 11.586806\nSi O\n40 80\ndirect\n0.769957 0.129582 0.772842 Si\n0.813402 0.384651 0.009588 Si\n0.772825 0.030047 0.400073 Si\n0.030047 0.400073 0.772825 Si\n0.011499 0.223049 0.765151 Si\n0.227175 0.969953 0.599927 Si\n0.213594 0.213594 0.213594 Si\n0.615614 0.647578 0.233813 Si\n0.230043 0.870418 0.227158 Si\n0.615349 0.990412 0.186598 Si\n0.129582 0.772842 0.769957 Si\n0.223049 0.765151 0.011499 Si\n0.599927 0.227175 0.969953 Si\n0.766187 0.384386 0.352422 Si\n0.227158 0.230043 0.870418 Si\n0.009588 0.813402 0.384651 Si\n0.647578 0.233813 0.615614 Si\n0.026361 0.647471 0.628920 Si\n0.186598 0.615349 0.990412 Si\n0.765151 0.011499 0.223049 Si\n0.988501 0.776951 0.234849 Si\n0.371080 0.973639 0.352529 Si\n0.786406 0.786406 0.786406 Si\n0.772842 0.769957 0.129582 Si\n0.863152 0.863152 0.863152 Si\n0.776951 0.234849 0.988501 Si\n0.400073 0.772825 0.030047 Si\n0.352422 0.766187 0.384386 Si\n0.969953 0.599927 0.227175 Si\n0.384651 0.009588 0.813402 Si\n0.870418 0.227158 0.230043 Si\n0.990412 0.186598 0.615349 Si\n0.233813 0.615614 0.647578 Si\n0.352529 0.371080 0.973639 Si\n0.647471 0.628920 0.026361 Si\n0.973639 0.352529 0.371080 Si\n0.628920 0.026361 0.647471 Si\n0.234849 0.988501 0.776951 Si\n0.384386 0.352422 0.766187 Si\n0.136848 0.136848 0.136848 Si\n0.523892 0.668097 0.032275 O\n0.967725 0.476108 0.331903 O\n0.951398 0.281859 0.506976 O\n0.752366 0.344317 0.996958 O\n0.104625 0.791544 0.120807 O\n0.331903 0.967725 0.476108 O\n0.702714 0.899844 0.718377 O\n0.722007 0.893042 0.132148 O\n0.824814 0.824814 0.824814 O\n0.175186 0.175186 0.175186 O\n0.281859 0.506976 0.951398 O\n0.780036 0.996504 0.850736 O\n0.309047 0.683942 0.519623 O\n0.815221 0.333261 0.262709 O\n0.149264 0.219964 0.003496 O\n0.887544 0.916246 0.420656 O\n0.247634 0.655683 0.003042 O\n0.916246 0.420656 0.887544 O\n0.867852 0.277993 0.106958 O\n0.796783 0.146077 0.329928 O\n0.032275 0.523892 0.668097 O\n0.277993 0.106958 0.867852 O\n0.262709 0.815221 0.333261 O\n0.112456 0.083754 0.579344 O\n0.146077 0.329928 0.796783 O\n0.476108 0.331903 0.967725 O\n0.352246 0.874448 0.371404 O\n0.266834 0.972638 0.668931 O\n0.316058 0.480377 0.690953 O\n0.874448 0.371404 0.352246 O\n0.519623 0.309047 0.683942 O\n0.895375 0.208456 0.879193 O\n0.371404 0.352246 0.874448 O\n0.683942 0.519623 0.309047 O\n0.899844 0.718377 0.702714 O\n0.737291 0.184779 0.666739 O\n0.972638 0.668931 0.266834 O\n0.281623 0.297286 0.100156 O\n0.048602 0.718141 0.493024 O\n0.493024 0.048602 0.718141 O\n0.506976 0.951398 0.281859 O\n0.647754 0.125552 0.628596 O\n0.208456 0.879193 0.895375 O\n0.331069 0.733166 0.027362 O\n0.125552 0.628596 0.647754 O\n0.203217 0.853923 0.670072 O\n0.083754 0.579344 0.112456 O\n0.996504 0.850736 0.780036 O\n0.106958 0.867852 0.277993 O\n0.733166 0.027362 0.331069 O\n0.893042 0.132148 0.722007 O\n0.853923 0.670072 0.203217 O\n0.628596 0.647754 0.125552 O\n0.666739 0.737291 0.184779 O\n0.027362 0.331069 0.733166 O\n0.670072 0.203217 0.853923 O\n0.003042 0.247634 0.655683 O\n0.132148 0.722007 0.893042 O\n0.219964 0.003496 0.149264 O\n0.120807 0.104625 0.791544 O\n0.718377 0.702714 0.899844 O\n0.184779 0.666739 0.737291 O\n0.668097 0.032275 0.523892 O\n0.718141 0.493024 0.048602 O\n0.329928 0.796783 0.146077 O\n0.690953 0.316058 0.480377 O\n0.003496 0.149264 0.219964 O\n0.655683 0.003042 0.247634 O\n0.668931 0.266834 0.972638 O\n0.579344 0.112456 0.083754 O\n0.297286 0.100156 0.281623 O\n0.333261 0.262709 0.815221 O\n0.850736 0.780036 0.996504 O\n0.420656 0.887544 0.916246 O\n0.996958 0.752366 0.344317 O\n0.344317 0.996958 0.752366 O\n0.100156 0.281623 0.297286 O\n0.879193 0.895375 0.208456 O\n0.791544 0.120807 0.104625 O\n0.480377 0.690953 0.316058 O\n",
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{
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"structure_string": "Ba4 N8 O24\n1.0\n8.295269 0.000000 0.000000\n0.000000 8.295269 0.000000\n0.000000 0.000000 8.295269\nBa N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.344493 0.344493 0.344493 N\n0.344493 0.155507 0.844493 N\n0.155507 0.844493 0.344493 N\n0.844493 0.344493 0.155507 N\n0.655507 0.655507 0.655507 N\n0.155507 0.655507 0.844493 N\n0.844493 0.155507 0.655507 N\n0.655507 0.844493 0.155507 N\n0.779076 0.285070 0.030662 O\n0.214930 0.969338 0.279076 O\n0.220924 0.785070 0.469338 O\n0.279076 0.214930 0.969338 O\n0.279076 0.285070 0.469338 O\n0.469338 0.279076 0.285070 O\n0.285070 0.469338 0.279076 O\n0.214930 0.530662 0.779076 O\n0.969338 0.220924 0.714930 O\n0.714930 0.969338 0.220924 O\n0.030662 0.720924 0.785070 O\n0.530662 0.779076 0.214930 O\n0.785070 0.030662 0.720924 O\n0.779076 0.214930 0.530662 O\n0.720924 0.785070 0.030662 O\n0.220924 0.714930 0.969338 O\n0.720924 0.714930 0.530662 O\n0.530662 0.720924 0.714930 O\n0.714930 0.530662 0.720924 O\n0.785070 0.469338 0.220924 O\n0.030662 0.779076 0.285070 O\n0.285070 0.030662 0.779076 O\n0.969338 0.279076 0.214930 O\n0.469338 0.220924 0.785070 O\n",
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{
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