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{
"id": "mp-1206395",
"created_at": "2022-09-04T14:43:15.227607Z",
"structure_string": "Tl2 S1 Cl2\n1.0\n6.473131 0.000000 0.000000\n0.000000 6.473131 0.000000\n0.000000 0.000000 12.673230\nTl S Cl\n2 1 2\ndirect\n0.500000 0.500000 0.197123 Tl\n0.500000 0.500000 0.802877 Tl\n0.500000 0.500000 0.000000 S\n0.500000 0.500000 0.605050 Cl\n0.500000 0.500000 0.394950 Cl\n",
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{
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{
"id": "mp-2744",
"created_at": "2022-09-04T14:42:52.004561Z",
"structure_string": "Li1 Pd1\n1.0\n1.399935 -2.424759 0.000000\n1.399935 2.424759 0.000000\n0.000000 0.000000 4.195430\nLi Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.500000 Pd\n",
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{
"id": "mp-1026644",
"created_at": "2022-09-04T14:41:28.127485Z",
"structure_string": "Mg14 Sn1 Sb1\n1.0\n6.350324 -0.179448 0.000000\n-3.330569 5.768714 0.000000\n0.000000 0.000000 10.344047\nMg Sn Sb\n14 1 1\ndirect\n0.170111 0.335055 0.625000 Mg\n0.169912 0.834955 0.625000 Mg\n0.669157 0.333736 0.125000 Mg\n0.668073 0.334269 0.625000 Mg\n0.669157 0.835420 0.125000 Mg\n0.668073 0.833803 0.625000 Mg\n0.332103 0.166513 0.376092 Mg\n0.332103 0.166513 0.873908 Mg\n0.332103 0.665591 0.376092 Mg\n0.332103 0.665591 0.873908 Mg\n0.832827 0.166414 0.375707 Mg\n0.832827 0.166414 0.874293 Mg\n0.832180 0.666091 0.376639 Mg\n0.832180 0.666091 0.873361 Mg\n0.164843 0.332421 0.125000 Sn\n0.162248 0.831123 0.125000 Sb\n",
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{
"id": "mp-1200614",
"created_at": "2022-09-04T14:42:19.133211Z",
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"formula_full": "P2 H18 C4 S2 N8 O8",
"formula_reduced": "PH9C2S(NO)4",
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{
"id": "mp-1201098",
"created_at": "2022-09-04T14:44:25.452157Z",
"structure_string": "Sr4 B10 H6 O22\n1.0\n-6.574211 0.000000 0.000000\n3.182278 5.804904 0.000000\n-0.217203 -0.907300 -11.473083\nSr B H O\n4 10 6 22\ndirect\n0.236158 0.525246 0.231812 Sr\n0.431583 0.527736 0.746010 Sr\n0.386862 0.126518 0.437442 Sr\n0.880707 0.121402 0.942885 Sr\n0.955884 0.657269 0.738218 B\n0.344054 0.998574 0.763572 B\n0.030616 0.031783 0.658381 B\n0.340894 0.102523 0.989365 B\n0.758861 0.621158 0.221641 B\n0.839744 0.115370 0.496390 B\n0.586803 0.171532 0.166064 B\n0.770792 0.214322 0.703205 B\n0.150791 0.952301 0.181025 B\n0.836988 0.031536 0.269856 B\n0.349315 0.614698 0.484344 H\n0.621110 0.656767 0.513296 H\n0.089356 0.646617 0.486503 H\n0.438456 0.614044 0.984874 H\n0.706011 0.631130 0.993472 H\n0.169769 0.631096 0.002193 H\n0.378257 0.979459 0.211219 O\n0.225568 0.692073 0.438759 O\n0.275656 0.089745 0.667321 O\n0.576572 0.025701 0.758299 O\n0.558545 0.180187 0.036426 O\n0.988478 0.206447 0.726226 O\n0.147680 0.016887 0.059212 O\n0.786631 0.120820 0.382442 O\n0.680605 0.775314 0.256309 O\n0.789320 0.434861 0.755131 O\n0.735105 0.202680 0.574821 O\n0.083493 0.085989 0.266468 O\n0.459227 0.536735 0.518343 O\n0.978952 0.026977 0.530660 O\n0.874667 0.796949 0.697695 O\n0.599880 0.390784 0.227086 O\n0.301893 0.114909 0.873791 O\n0.186112 0.741064 0.765163 O\n0.796518 0.152829 0.178339 O\n0.624115 0.694656 0.952810 O\n0.980650 0.697451 0.181911 O\n0.218442 0.514348 0.007743 O\n",
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{
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"structure_string": "Yb4 Ti4 O12\n1.0\n5.333879 0.000000 0.000000\n0.000000 5.491454 0.000000\n0.000000 0.000000 7.614348\nYb Ti O\n4 4 12\ndirect\n0.987841 0.446415 0.750000 Yb\n0.512159 0.946415 0.750000 Yb\n0.487841 0.053585 0.250000 Yb\n0.012159 0.553585 0.250000 Yb\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.086553 0.024525 0.750000 O\n0.204579 0.294149 0.045743 O\n0.204579 0.294149 0.454257 O\n0.295421 0.794149 0.454257 O\n0.295421 0.794149 0.045743 O\n0.413447 0.524525 0.750000 O\n0.586553 0.475475 0.250000 O\n0.704579 0.205851 0.954257 O\n0.704579 0.205851 0.545743 O\n0.795421 0.705851 0.545743 O\n0.795421 0.705851 0.954257 O\n0.913447 0.975475 0.250000 O\n",
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{
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{
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{
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"elements": [
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"density_atomic": 0.07868806722955382,
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"formula_full": "Pr4 Nb20 O56",
"formula_reduced": "PrNb5O14",
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"formation_energy": null,
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"energy_uncorrected": -711.82373058,
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"updated_at": "2021-11-28T01:35:18.173000Z",
"spacegroup": 59
},
{
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"created_at": "2022-09-04T14:43:36.850878Z",
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"updated_at": "2021-11-28T01:36:18.810000Z",
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}
]
}