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{
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{
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{
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"structure_string": "Ba2 Sr2 Nd2 Nb2 O12\n1.0\n6.042649 -0.006292 0.018720\n-0.002782 6.093176 -0.019529\n0.031029 -0.023581 8.566325\nBa Sr Nd Nb O\n2 2 2 2 12\ndirect\n0.994903 0.026658 0.250544 Ba\n0.005097 0.973342 0.749456 Ba\n0.509278 0.534792 0.252376 Sr\n0.490722 0.465208 0.747624 Sr\n0.500000 -0.000000 0.000000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.500000 0.000000 Nb\n0.500000 -0.000000 0.500000 Nb\n0.198267 0.236368 0.961615 O\n0.310538 0.729397 0.549116 O\n0.801733 0.763632 0.038385 O\n0.689462 0.270603 0.450884 O\n0.263780 0.696573 0.950034 O\n0.232971 0.195696 0.527614 O\n0.736220 0.303427 0.049966 O\n0.767029 0.804304 0.472386 O\n0.432694 0.956336 0.269919 O\n0.089009 0.496049 0.230097 O\n0.567306 0.043664 0.730081 O\n0.910991 0.503951 0.769903 O\n",
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{
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"structure_string": "Ge4 Pt4 Se4\n1.0\n6.077593 0.000000 0.000000\n0.000000 6.091925 0.000000\n0.000000 0.000000 6.151135\nGe Pt Se\n4 4 4\ndirect\n0.618549 0.880695 0.874390 Ge\n0.118549 0.119305 0.125610 Ge\n0.118549 0.619305 0.874390 Ge\n0.618549 0.380695 0.125610 Ge\n0.996394 0.492280 0.240125 Pt\n0.496394 0.507720 0.759875 Pt\n0.496394 0.007720 0.240125 Pt\n0.996394 0.992280 0.759875 Pt\n0.384057 0.116100 0.636328 Se\n0.884057 0.883900 0.363672 Se\n0.884057 0.383900 0.636328 Se\n0.384057 0.616100 0.363672 Se\n",
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"formula_full": "Ge4 Pt4 Se4",
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{
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"created_at": "2022-09-04T14:48:14.212025Z",
"structure_string": "Mo2 W1 Se2 S4\n1.0\n1.615481 -2.798095 0.000000\n1.615481 2.798095 0.000000\n0.000000 0.000000 29.658287\nMo W Se S\n2 1 2 4\ndirect\n0.333333 0.666667 0.115643 Mo\n0.333333 0.666667 0.578326 Mo\n0.666667 0.333333 0.346964 W\n0.666667 0.333333 0.520774 Se\n0.666667 0.333333 0.635891 Se\n0.333333 0.666667 0.399521 S\n0.666667 0.333333 0.063262 S\n0.666667 0.333333 0.168030 S\n0.333333 0.666667 0.294431 S\n",
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{
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"structure_string": "K1 Rb1 Mg14 O15\n1.0\n9.086999 0.000000 0.000000\n0.000000 8.958142 0.000000\n0.000000 0.000000 4.331517\nK Rb Mg O\n1 1 14 15\ndirect\n0.103014 0.000000 -0.000000 K\n0.953354 0.500000 -0.000000 Rb\n0.521391 0.000000 -0.000000 Mg\n0.484792 0.500000 -0.000000 Mg\n0.010934 0.249312 0.500000 Mg\n0.010934 0.750688 0.500000 Mg\n0.490337 0.236316 0.500000 Mg\n0.490337 0.763684 0.500000 Mg\n0.259244 0.000000 0.500000 Mg\n0.260384 0.500000 0.500000 Mg\n0.784766 0.000000 0.500000 Mg\n0.705305 0.500000 0.500000 Mg\n0.237252 0.284462 0.000000 Mg\n0.237252 0.715538 -0.000000 Mg\n0.768122 0.233445 0.000000 Mg\n0.768122 0.766555 -0.000000 Mg\n0.272029 0.500000 -0.000000 O\n0.737863 0.000000 -0.000000 O\n0.691196 0.500000 -0.000000 O\n0.248689 0.228376 0.500000 O\n0.248689 0.771624 0.500000 O\n0.746982 0.250838 0.500000 O\n0.746982 0.749162 0.500000 O\n0.006104 0.000000 0.500000 O\n0.052814 0.500000 0.500000 O\n0.481424 0.000000 0.500000 O\n0.482468 0.500000 0.500000 O\n0.006764 0.236083 -0.000000 O\n0.006764 0.763917 -0.000000 O\n0.467847 0.226876 0.000000 O\n0.467847 0.773124 -0.000000 O\n",
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{
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"structure_string": "In4 Se4\n1.0\n2.041811 -3.536521 0.000000\n2.041811 3.536521 0.000000\n0.000000 0.000000 17.550413\nIn Se\n4 4\ndirect\n0.333333 0.666667 0.330389 In\n0.666667 0.333333 0.830389 In\n0.666667 0.333333 0.669611 In\n0.333333 0.666667 0.169611 In\n0.333333 0.666667 0.596798 Se\n0.666667 0.333333 0.096798 Se\n0.666667 0.333333 0.403202 Se\n0.333333 0.666667 0.903202 Se\n",
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{
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"structure_string": "Mg1 Ga4 P6 H6 O18\n1.0\n8.510198 0.000000 -0.000000\n-4.255098 7.370047 -0.000000\n-0.000000 0.000000 8.101572\nMg Ga P H O\n1 4 6 6 18\ndirect\n0.333333 0.666667 0.750000 Mg\n0.333333 0.666667 0.450318 Ga\n0.666667 0.333333 0.037098 Ga\n0.666667 0.333333 0.462902 Ga\n0.333333 0.666667 0.049682 Ga\n0.913039 0.288096 0.750000 P\n0.649496 0.980379 0.250000 P\n0.330882 0.350504 0.250000 P\n0.711904 0.624942 0.750000 P\n0.375058 0.086961 0.750000 P\n0.019621 0.669118 0.250000 P\n0.849449 0.808358 0.750000 H\n0.952614 0.790441 0.250000 H\n0.837826 0.047386 0.250000 H\n0.191642 0.041091 0.750000 H\n0.958909 0.150551 0.750000 H\n0.209559 0.162174 0.250000 H\n0.085813 0.472028 0.750000 O\n0.616754 0.143760 0.250000 O\n0.527007 0.383246 0.250000 O\n0.527972 0.613785 0.750000 O\n0.140003 0.712231 0.095487 O\n0.446825 0.195050 0.586116 O\n0.748225 0.553175 0.586116 O\n0.287769 0.427773 0.095487 O\n0.572227 0.859997 0.095487 O\n0.804950 0.251775 0.586116 O\n0.804950 0.251775 0.913884 O\n0.572227 0.859997 0.404513 O\n0.287769 0.427773 0.404513 O\n0.748225 0.553175 0.913884 O\n0.446825 0.195050 0.913884 O\n0.140003 0.712231 0.404513 O\n0.856240 0.472993 0.250000 O\n0.386215 0.914187 0.750000 O\n",
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{
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"structure_string": "Ba2 Sr2 Pr2 Sb2 O12\n1.0\n6.074147 -0.001661 -0.018414\n-0.006273 6.097387 -0.012125\n-0.032137 -0.022245 8.597221\nBa Sr Pr Sb O\n2 2 2 2 12\ndirect\n0.505018 0.522649 0.250055 Ba\n0.494982 0.477351 0.749945 Ba\n0.992978 0.031960 0.252519 Sr\n0.007022 0.968040 0.747481 Sr\n0.000000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.237707 0.196909 0.956134 O\n0.261564 0.700382 0.527953 O\n0.762293 0.803091 0.043866 O\n0.738436 0.299618 0.472047 O\n0.299577 0.739601 0.963846 O\n0.191118 0.231815 0.542122 O\n0.700423 0.260399 0.036154 O\n0.808882 0.768185 0.457878 O\n0.418459 0.995752 0.229188 O\n0.060010 0.465077 0.270255 O\n0.581541 0.004248 0.770812 O\n0.939990 0.534923 0.729745 O\n",
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{
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"structure_string": "Ga8 Ni4 O16\n1.0\n-2.931380 5.077296 0.000001\n2.988505 1.725414 4.880232\n5.890883 3.401101 -4.809909\nGa Ni O\n8 4 16\ndirect\n0.000000 0.000000 0.992281 Ga\n0.500000 0.500000 0.492281 Ga\n0.000000 0.500000 0.257719 Ga\n0.500000 0.000000 0.757719 Ga\n0.000000 0.750002 0.625000 Ga\n0.500000 0.249998 0.125000 Ga\n0.000000 0.249998 0.625000 Ga\n0.500000 0.750002 0.125000 Ga\n0.750000 0.500000 0.875000 Ni\n0.250000 0.500000 0.875000 Ni\n0.250000 0.000000 0.375000 Ni\n0.750000 0.000000 0.375000 Ni\n0.000000 0.757891 0.386926 O\n0.500000 0.257895 0.886925 O\n0.000000 0.242109 0.386926 O\n0.500000 0.742105 0.886924 O\n0.000000 0.257895 0.863076 O\n0.500000 0.757891 0.363074 O\n0.000000 0.742106 0.863076 O\n0.500000 0.242109 0.363074 O\n0.235117 0.000000 0.623799 O\n0.735114 0.500000 0.123797 O\n0.764884 0.000000 0.623799 O\n0.264886 0.500000 0.123796 O\n0.235114 0.500000 0.626204 O\n0.735116 0.000000 0.126201 O\n0.764886 0.500000 0.626203 O\n0.264883 0.000000 0.126201 O\n",
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"elements": [
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],
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"formula_full": "Ga8 Ni4 O16",
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"spacegroup": 74
},
{
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"elements": [
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],
"chemical_system": "Hf-O",
"density": 10.414755258039133,
"density_atomic": 0.08939067850622384,
"volume": 268.48436997073463,
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"formula_full": "Hf8 O16",
"formula_reduced": "HfO2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:38:49.231000Z",
"spacegroup": 61
},
{
"id": "mp-1095894",
"created_at": "2022-09-04T14:48:11.043950Z",
"structure_string": "Hf1 Cd1 Pd2\n1.0\n-5.060790 5.415934 7.976378\n5.060790 -5.415934 7.976378\n5.060790 5.415934 -7.976378\nHf Cd Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Cd\n0.000000 0.270559 0.270559 Pd\n0.000000 0.729441 0.729441 Pd\n",
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],
"chemical_system": "Cd-Hf-Pd",
"density": 0.9565308896307608,
"density_atomic": 0.004574067753575844,
"volume": 874.4951355110429,
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"formula_full": "Hf1 Cd1 Pd2",
"formula_reduced": "HfCdPd2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:27.176000Z",
"spacegroup": 71
}
]
}