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{
"id": "mp-1071423",
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{
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"structure_string": "Ce8 Ga1 Pd24\n1.0\n8.452957 0.000000 0.000000\n0.000000 8.452957 0.000000\n0.000000 0.000000 8.452957\nCe Ga Pd\n8 1 24\ndirect\n0.250901 0.250901 0.749099 Ce\n0.250901 0.749099 0.250901 Ce\n0.749099 0.250901 0.250901 Ce\n0.749099 0.749099 0.749099 Ce\n0.749099 0.749099 0.250901 Ce\n0.749099 0.250901 0.749099 Ce\n0.250901 0.749099 0.749099 Ce\n0.250901 0.250901 0.250901 Ce\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.745865 Pd\n0.500000 0.254135 0.500000 Pd\n0.254135 0.500000 0.500000 Pd\n0.500000 0.500000 0.254135 Pd\n0.500000 0.745865 0.500000 Pd\n0.745865 0.500000 0.500000 Pd\n0.000000 0.000000 0.707206 Pd\n0.000000 0.292794 0.000000 Pd\n0.292794 0.000000 0.000000 Pd\n0.000000 0.000000 0.292794 Pd\n0.000000 0.707206 0.000000 Pd\n0.707206 0.000000 0.000000 Pd\n0.000000 0.500000 0.740024 Pd\n0.500000 0.259976 0.000000 Pd\n0.259976 0.000000 0.500000 Pd\n0.000000 0.259976 0.500000 Pd\n0.500000 0.000000 0.740024 Pd\n0.259976 0.500000 0.000000 Pd\n0.000000 0.500000 0.259976 Pd\n0.500000 0.740024 0.000000 Pd\n0.000000 0.740024 0.500000 Pd\n0.500000 0.000000 0.259976 Pd\n0.740024 0.000000 0.500000 Pd\n0.740024 0.500000 0.000000 Pd\n",
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"formula_full": "Ce8 Ga1 Pd24",
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"updated_at": "2021-11-28T01:39:47.192000Z",
"spacegroup": 221
},
{
"id": "mp-1093785",
"created_at": "2022-09-04T14:48:28.700892Z",
"structure_string": "Ba2 Tl1 In1\n1.0\n-6.386570 7.218102 10.204812\n6.386570 -7.218102 10.204812\n6.386570 7.218102 -10.204812\nBa Tl In\n2 1 1\ndirect\n0.000000 0.249844 0.249844 Ba\n0.000000 0.750156 0.750156 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
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"volume": 1881.7229904484198,
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"formula_full": "Ba2 Tl1 In1",
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"updated_at": "2021-11-28T01:39:40.234000Z",
"spacegroup": 71
},
{
"id": "mp-1094479",
"created_at": "2022-09-04T14:48:28.703228Z",
"structure_string": "Mg1 Zr1\n1.0\n5.598779 -1.532907 0.000000\n5.598779 1.532907 0.000000\n5.179080 0.000000 2.621691\nMg Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n",
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"spacegroup": 166
},
{
"id": "mp-1518021",
"created_at": "2022-09-04T14:48:28.704923Z",
"structure_string": "Ba2 Ca2 Eu2 Nb2 O12\n1.0\n5.945824 -0.017097 -0.027723\n-0.022989 6.033517 -0.035225\n-0.046474 -0.055165 8.473291\nBa Ca Eu Nb O\n2 2 2 2 12\ndirect\n0.505729 0.534325 0.250984 Ba\n0.494271 0.465675 0.749016 Ba\n0.990305 0.045074 0.254336 Ca\n0.009695 0.954926 0.745664 Ca\n0.000000 0.500000 0.000000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.226546 0.186602 0.939977 O\n0.273302 0.694648 0.532120 O\n0.773454 0.813398 0.060023 O\n0.726698 0.305352 0.467880 O\n0.306898 0.729358 0.957639 O\n0.180606 0.219940 0.553479 O\n0.693102 0.270642 0.042361 O\n0.819394 0.780060 0.446521 O\n0.391698 0.996862 0.230625 O\n0.066756 0.445324 0.267913 O\n0.608302 0.003138 0.769375 O\n0.933244 0.554676 0.732087 O\n",
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],
"chemical_system": "Ba-Ca-Eu-Nb-O",
"density": 5.6628415024249295,
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"formula_full": "Ba2 Ca2 Eu2 Nb2 O12",
"formula_reduced": "BaCaEuNbO6",
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"spacegroup": 2
},
{
"id": "mp-1212422",
"created_at": "2022-09-04T14:48:28.706631Z",
"structure_string": "Ho4 Fe34 H6\n1.0\n4.274085 -7.402932 0.000000\n4.274085 7.402932 0.000000\n0.000000 0.000000 8.171965\nHo Fe H\n4 34 6\ndirect\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n0.000000 0.000000 0.250000 Ho\n0.000000 0.000000 0.750000 Ho\n0.377478 0.048862 0.250000 Fe\n0.622522 0.951138 0.750000 Fe\n0.951138 0.328616 0.250000 Fe\n0.048862 0.377478 0.750000 Fe\n0.048862 0.671384 0.750000 Fe\n0.951138 0.622522 0.250000 Fe\n0.671384 0.622522 0.250000 Fe\n0.328616 0.951138 0.750000 Fe\n0.328616 0.377478 0.750000 Fe\n0.671384 0.048862 0.250000 Fe\n0.622522 0.671384 0.750000 Fe\n0.377478 0.328616 0.250000 Fe\n0.333333 0.666667 0.604166 Fe\n0.666667 0.333333 0.395834 Fe\n0.666667 0.333333 0.104166 Fe\n0.333333 0.666667 0.895834 Fe\n0.166764 0.333527 0.017041 Fe\n0.833236 0.666473 0.982959 Fe\n0.666473 0.833236 0.017041 Fe\n0.833236 0.666473 0.517041 Fe\n0.333527 0.166764 0.982959 Fe\n0.166764 0.333527 0.482959 Fe\n0.166764 0.833236 0.017041 Fe\n0.333527 0.166764 0.517041 Fe\n0.833236 0.166764 0.982959 Fe\n0.666473 0.833236 0.482959 Fe\n0.833236 0.166764 0.517041 Fe\n0.166764 0.833236 0.482959 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.164755 0.329511 0.250000 H\n0.835245 0.670489 0.750000 H\n0.670489 0.835245 0.250000 H\n0.329511 0.164755 0.750000 H\n0.164755 0.835245 0.250000 H\n0.835245 0.164755 0.750000 H\n",
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{
"id": "mp-1245304",
"created_at": "2022-09-04T14:48:28.707328Z",
"structure_string": "Co40 O40\n1.0\n10.249190 -0.524745 0.004944\n-0.534797 10.192811 0.336190\n-0.003782 0.341937 10.027102\nCo O\n40 40\ndirect\n0.268185 0.821040 0.152628 Co\n0.225852 0.359858 0.533486 Co\n0.353535 0.108884 0.055151 Co\n0.522003 0.520164 0.532951 Co\n0.896754 0.942148 0.657325 Co\n0.638300 0.038757 0.676531 Co\n0.338409 0.006964 0.561224 Co\n0.630718 0.570092 0.981464 Co\n0.012378 0.396899 0.733053 Co\n0.170620 0.561809 0.024517 Co\n0.028703 0.021035 0.157915 Co\n0.734289 0.271984 0.560405 Co\n0.020076 0.149648 0.458698 Co\n0.871740 0.377615 0.050823 Co\n0.810313 0.543693 0.638356 Co\n0.348109 0.749578 0.551338 Co\n0.569728 0.262013 0.886961 Co\n0.513347 0.952058 0.373938 Co\n0.776431 0.860902 0.966955 Co\n0.240688 0.867466 0.822050 Co\n0.339586 0.554393 0.778504 Co\n0.077022 0.675993 0.568410 Co\n0.596053 0.729678 0.267014 Co\n0.521997 0.924998 0.025971 Co\n0.984646 0.682977 0.225529 Co\n0.175094 0.285091 0.939393 Co\n0.895127 0.114633 0.872383 Co\n0.283653 0.603163 0.346015 Co\n0.703859 0.464850 0.278663 Co\n0.114699 0.066362 0.707730 Co\n0.372198 0.233007 0.709538 Co\n0.792901 0.757479 0.477569 Co\n0.188174 0.905665 0.385992 Co\n0.597992 0.242121 0.158008 Co\n0.486830 0.253994 0.393733 Co\n0.773065 0.045907 0.366127 Co\n0.993614 0.446415 0.391202 Co\n0.239105 0.269332 0.236937 Co\n0.967081 0.711542 0.866726 Co\n0.566338 0.750258 0.711058 Co\n0.940780 0.674472 0.417054 O\n0.766597 0.975212 0.800550 O\n0.044381 0.881242 0.774145 O\n0.121272 0.308816 0.369323 O\n0.655567 0.846659 0.106344 O\n0.547628 0.111140 0.024037 O\n0.174649 0.156097 0.093353 O\n0.609674 0.576373 0.175271 O\n0.879862 0.444269 0.229803 O\n0.597668 0.217404 0.702998 O\n0.608241 0.129866 0.329768 O\n0.351318 0.953371 0.282046 O\n0.095321 0.852398 0.226659 O\n0.678961 0.865680 0.382214 O\n0.129609 0.004576 0.522413 O\n0.886238 0.399629 0.564626 O\n0.940152 0.092932 0.296278 O\n0.667086 0.641994 0.605498 O\n0.417563 0.279780 0.207324 O\n0.956923 0.290684 0.912742 O\n0.382838 0.423732 0.648194 O\n0.355430 0.201664 0.525466 O\n0.338320 0.906537 0.986010 O\n0.502086 0.907847 0.603647 O\n0.103051 0.250715 0.666828 O\n0.019270 0.649186 0.043017 O\n0.913941 0.985156 0.011712 O\n0.624327 0.393076 0.444333 O\n0.971462 0.586144 0.727081 O\n0.243520 0.718844 0.701051 O\n0.449835 0.668262 0.417865 O\n0.367190 0.260556 0.891770 O\n0.183127 0.467209 0.875015 O\n0.273586 0.629782 0.163253 O\n0.817624 0.095703 0.555132 O\n0.774517 0.699437 0.900783 O\n0.680371 0.375543 0.006875 O\n0.301849 0.052097 0.747916 O\n0.158097 0.536372 0.480658 O\n0.497733 0.634742 0.854383 O\n",
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{
"id": "mp-1073777",
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"structure_string": "Mg6 Si6\n1.0\n2.142817 6.055240 0.000000\n-2.142817 6.055240 0.000000\n0.000000 2.251937 8.719693\nMg Si\n6 6\ndirect\n0.356132 0.356132 0.508027 Mg\n0.251807 0.251807 0.166065 Mg\n0.469891 0.469891 0.831925 Mg\n0.748193 0.748193 0.833935 Mg\n0.530109 0.530109 0.168075 Mg\n0.643868 0.643868 0.491973 Mg\n0.958681 0.958681 0.635279 Si\n0.894618 0.894618 0.027557 Si\n0.041319 0.041319 0.364721 Si\n0.856101 0.856101 0.301682 Si\n0.143899 0.143899 0.698318 Si\n0.105382 0.105382 0.972443 Si\n",
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{
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{
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{
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{
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"structure_string": "Li4 Ti4 Si4 O16\n1.0\n4.980980 0.000000 0.000000\n0.000000 6.102749 0.000000\n0.000000 0.000000 9.360387\nLi Ti Si O\n4 4 4 16\ndirect\n0.480250 0.750000 0.169626 Li\n0.980250 0.250000 0.330374 Li\n0.019750 0.750000 0.669626 Li\n0.519750 0.250000 0.830374 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.475431 0.250000 0.177562 Si\n0.975431 0.750000 0.322438 Si\n0.024569 0.250000 0.677562 Si\n0.524569 0.750000 0.822438 Si\n0.798427 0.250000 0.129076 O\n0.327922 0.031495 0.115535 O\n0.327922 0.468505 0.115535 O\n0.901326 0.750000 0.147175 O\n0.401326 0.250000 0.352825 O\n0.827922 0.968505 0.384465 O\n0.827922 0.531495 0.384465 O\n0.298427 0.750000 0.370924 O\n0.701573 0.250000 0.629076 O\n0.172078 0.031495 0.615535 O\n0.172078 0.468505 0.615535 O\n0.598674 0.750000 0.647175 O\n0.098674 0.250000 0.852825 O\n0.672078 0.531495 0.884465 O\n0.672078 0.968505 0.884465 O\n0.201573 0.750000 0.870924 O\n",
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]
}