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{
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{
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{
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"structure_string": "Mg4 V12 O28\n1.0\n5.332934 0.000000 0.000000\n0.000000 10.230906 0.000000\n0.000000 0.000000 10.234264\nMg V O\n4 12 28\ndirect\n0.845340 0.078092 0.250000 Mg\n0.345340 0.421908 0.750000 Mg\n0.154660 0.921908 0.750000 Mg\n0.654660 0.578092 0.250000 Mg\n0.202774 0.682778 0.972675 V\n0.702774 0.817222 0.027325 V\n0.797226 0.317222 0.472675 V\n0.297226 0.182778 0.527325 V\n0.191932 0.782294 0.250000 V\n0.691932 0.717706 0.750000 V\n0.808068 0.217706 0.750000 V\n0.308068 0.282294 0.250000 V\n0.702774 0.817222 0.472675 V\n0.202774 0.682778 0.527325 V\n0.297226 0.182778 0.972675 V\n0.797226 0.317222 0.027325 V\n0.557168 0.287860 0.879148 O\n0.057168 0.212140 0.120852 O\n0.442832 0.712140 0.379148 O\n0.942832 0.787860 0.620852 O\n0.442832 0.712140 0.120852 O\n0.942832 0.787860 0.879148 O\n0.557168 0.287860 0.620852 O\n0.057168 0.212140 0.379148 O\n0.041208 0.287339 0.881608 O\n0.541208 0.212661 0.118392 O\n0.958792 0.712661 0.381608 O\n0.458792 0.787339 0.618392 O\n0.958792 0.712661 0.118392 O\n0.458792 0.787339 0.881608 O\n0.041208 0.287339 0.618392 O\n0.541208 0.212661 0.381608 O\n0.333731 0.444386 0.250000 O\n0.833731 0.055614 0.750000 O\n0.666269 0.555614 0.750000 O\n0.166269 0.944386 0.250000 O\n0.278579 0.035698 0.595693 O\n0.778579 0.464302 0.404307 O\n0.721421 0.964302 0.095693 O\n0.221421 0.535698 0.904307 O\n0.721421 0.964302 0.404307 O\n0.221421 0.535698 0.595693 O\n0.278579 0.035698 0.904307 O\n0.778579 0.464302 0.095693 O\n",
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{
"id": "mp-1204194",
"created_at": "2022-09-04T14:42:47.437259Z",
"structure_string": "Gd12 Mo4 O28\n1.0\n7.570731 0.000000 0.000000\n0.000000 7.579282 0.000000\n0.000000 0.000000 10.660931\nGd Mo O\n12 4 28\ndirect\n0.027992 0.508708 0.742810 Gd\n0.472008 0.491292 0.242810 Gd\n0.527992 0.991292 0.257190 Gd\n0.972008 0.008708 0.757190 Gd\n0.276502 0.254419 0.967057 Gd\n0.223498 0.745581 0.467057 Gd\n0.776502 0.245581 0.032943 Gd\n0.723498 0.754419 0.532943 Gd\n0.300545 0.246123 0.513966 Gd\n0.199455 0.753877 0.013966 Gd\n0.800545 0.253877 0.486034 Gd\n0.699455 0.746123 0.986034 Gd\n0.502773 0.500234 0.750680 Mo\n0.997227 0.499766 0.250680 Mo\n0.002773 0.999766 0.249320 Mo\n0.497227 0.000234 0.749320 Mo\n0.410576 0.247697 0.742274 O\n0.089424 0.752303 0.242274 O\n0.910576 0.252303 0.257726 O\n0.589424 0.747697 0.757726 O\n0.220511 0.463989 0.367747 O\n0.279489 0.536011 0.867747 O\n0.720511 0.036011 0.632253 O\n0.779489 0.963989 0.132253 O\n0.872496 0.549896 0.400327 O\n0.627504 0.450104 0.900327 O\n0.372496 0.950104 0.599673 O\n0.127504 0.049896 0.099673 O\n0.169957 0.464062 0.116107 O\n0.330043 0.535938 0.616107 O\n0.669957 0.035938 0.883893 O\n0.830043 0.964062 0.383893 O\n0.788067 0.529192 0.133798 O\n0.711933 0.470808 0.633798 O\n0.288067 0.970808 0.866202 O\n0.211933 0.029192 0.366202 O\n0.040355 0.246477 0.614531 O\n0.459645 0.753523 0.114531 O\n0.540355 0.253523 0.385469 O\n0.959645 0.746477 0.885469 O\n0.994731 0.262796 0.880955 O\n0.505269 0.737204 0.380955 O\n0.494731 0.237204 0.119045 O\n0.005269 0.762796 0.619045 O\n",
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{
"id": "mp-1212138",
"created_at": "2022-09-04T14:42:47.442657Z",
"structure_string": "K8 Ce4 Cl20\n1.0\n8.174838 0.000000 0.000000\n0.000000 8.849467 0.000000\n0.000000 0.000000 13.167990\nK Ce Cl\n8 4 20\ndirect\n0.531944 0.499772 0.826310 K\n0.468056 0.500228 0.173690 K\n0.031944 0.500228 0.673690 K\n0.468056 0.999772 0.173690 K\n0.968056 0.499772 0.326310 K\n0.531944 0.000228 0.826310 K\n0.968056 0.000228 0.326310 K\n0.031944 0.999772 0.673690 K\n0.574310 0.750000 0.503929 Ce\n0.425690 0.250000 0.496071 Ce\n0.074310 0.250000 0.996071 Ce\n0.925690 0.750000 0.003929 Ce\n0.824915 0.750000 0.798097 Cl\n0.175085 0.250000 0.201903 Cl\n0.324915 0.250000 0.701903 Cl\n0.675085 0.750000 0.298097 Cl\n0.359511 0.750000 0.669926 Cl\n0.640489 0.250000 0.330074 Cl\n0.859511 0.250000 0.830074 Cl\n0.140489 0.750000 0.169926 Cl\n0.920318 0.750000 0.510613 Cl\n0.079682 0.250000 0.489387 Cl\n0.420318 0.250000 0.989387 Cl\n0.579682 0.750000 0.010613 Cl\n0.655784 0.040019 0.584730 Cl\n0.344216 0.959981 0.415270 Cl\n0.155784 0.959981 0.915270 Cl\n0.344216 0.540019 0.415270 Cl\n0.844216 0.040019 0.084730 Cl\n0.655784 0.459981 0.584730 Cl\n0.844216 0.459981 0.084730 Cl\n0.155784 0.540019 0.915270 Cl\n",
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{
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"structure_string": "Li1 Sb3 Te1 Cl1 O6\n1.0\n-4.236213 -0.007411 0.161999\n-2.403718 -4.550961 8.287912\n1.848750 5.002009 8.308665\nLi Sb Te Cl O\n1 3 1 1 6\ndirect\n0.532305 0.506034 0.458442 Li\n0.711237 0.489485 0.875112 Sb\n0.323542 0.865607 0.497128 Sb\n0.634348 0.149040 0.489989 Sb\n0.325394 0.513187 0.138936 Te\n0.047580 0.521200 0.531465 Cl\n0.221988 0.490468 0.937092 O\n0.746676 0.515141 0.075353 O\n0.179289 0.086100 0.489891 O\n0.782922 0.930093 0.500771 O\n0.450868 0.274545 0.250062 O\n0.496978 0.730530 0.730758 O\n",
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{
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{
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{
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{
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],
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"spacegroup": 194
},
{
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"updated_at": "2021-11-28T01:35:53.148000Z",
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{
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"structure_string": "Sr2 La1 Ta1 O6\n1.0\n0.000000 4.326715 4.326715\n4.326715 0.000000 4.326715\n4.326715 4.326715 0.000000\nSr La Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ta\n0.769417 0.230583 0.230583 O\n0.230583 0.769417 0.769417 O\n0.230583 0.769417 0.230583 O\n0.769417 0.230583 0.769417 O\n0.230583 0.230583 0.769417 O\n0.769417 0.769417 0.230583 O\n",
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"density_atomic": 0.061729837914334736,
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"formula_full": "Sr2 La1 Ta1 O6",
"formula_reduced": "Sr2LaTaO6",
"formula_anonymous": "ABC2D6",
"energy": -83.88687446999998,
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"updated_at": "2021-11-28T01:35:55.367000Z",
"spacegroup": 225
}
]
}