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{
"id": "mp-1173322",
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{
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{
"id": "mp-1110826",
"created_at": "2022-09-04T14:43:05.494000Z",
"structure_string": "K2 Na1 Y1 I6\n1.0\n0.000000 6.144564 6.144564\n6.144564 0.000000 6.144564\n6.144564 6.144564 0.000000\nK Na Y I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.754569 0.245431 0.245431 I\n0.245431 0.245431 0.754569 I\n0.245431 0.754569 0.754569 I\n0.245431 0.754569 0.245431 I\n0.754569 0.245431 0.754569 I\n0.754569 0.754569 0.245431 I\n",
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"volume": 463.9842214172737,
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"formula_full": "K2 Na1 Y1 I6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1035835",
"created_at": "2022-09-04T14:43:05.496076Z",
"structure_string": "Y1 Hf1 Mg14 O16\n1.0\n4.392943 0.000000 0.000000\n0.000000 8.771164 0.000000\n0.000000 0.000000 8.795257\nY Hf Mg O\n1 1 14 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.255157 Mg\n0.500000 0.000000 0.744843 Mg\n0.500000 0.500000 0.251511 Mg\n0.500000 0.500000 0.748489 Mg\n0.500000 0.263510 0.000000 Mg\n0.500000 0.258601 0.500000 Mg\n0.500000 0.736490 0.000000 Mg\n0.500000 0.741399 0.500000 Mg\n0.000000 0.260620 0.253215 Mg\n0.000000 0.260620 0.746785 Mg\n0.000000 0.739380 0.253215 Mg\n0.000000 0.739380 0.746785 Mg\n0.000000 0.262271 0.000000 O\n0.000000 0.260350 0.500000 O\n0.000000 0.737729 0.000000 O\n0.000000 0.739650 0.500000 O\n0.500000 0.251573 0.248594 O\n0.500000 0.251573 0.751406 O\n0.500000 0.748427 0.248594 O\n0.500000 0.748427 0.751406 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.253926 O\n0.000000 0.000000 0.746074 O\n0.000000 0.500000 0.250242 O\n0.000000 0.500000 0.749758 O\n",
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{
"id": "mp-1287534",
"created_at": "2022-09-04T14:43:05.502627Z",
"structure_string": "Ca4 La2 Mn4 O14\n1.0\n3.939788 -0.000089 0.000009\n-1.969920 1.903463 9.778328\n0.000182 -7.613844 0.000033\nCa La Mn O\n4 2 4 14\ndirect\n0.314658 0.629330 0.657309 Ca\n0.314675 0.629331 0.157326 Ca\n0.685335 0.370660 0.342697 Ca\n0.685316 0.370661 0.842686 Ca\n0.499979 0.999979 0.250037 La\n0.499994 0.999990 0.749959 La\n0.102133 0.204266 0.551067 Mn\n0.897908 0.795776 0.448939 Mn\n0.102112 0.204244 0.051044 Mn\n0.897890 0.795748 0.948957 Mn\n0.999999 0.999997 0.500003 O\n0.000004 0.999999 0.999992 O\n0.199724 0.399499 0.599823 O\n0.199735 0.399497 0.099835 O\n0.800267 0.600507 0.400164 O\n0.800255 0.600508 0.900173 O\n0.096007 0.192076 0.298017 O\n0.095998 0.192088 0.798023 O\n0.903991 0.807909 0.701976 O\n0.904015 0.807923 0.201978 O\n0.596440 0.192935 0.548213 O\n0.596443 0.192928 0.048217 O\n0.403559 0.807072 0.451783 O\n0.403564 0.807078 0.951781 O\n",
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"formula_full": "Ca4 La2 Mn4 O14",
"formula_reduced": "Ca2LaMn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -191.69416811,
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{
"id": "mp-1218084",
"created_at": "2022-09-04T14:43:05.503361Z",
"structure_string": "Ta12 Cr6 Co6 C4\n1.0\n-4.025407 4.041209 5.708985\n4.025407 -4.041209 5.708985\n4.025407 4.041209 -5.708985\nTa Cr Co C\n12 6 6 4\ndirect\n0.571692 0.071692 0.500000 Ta\n0.179314 0.679314 0.500000 Ta\n0.179072 0.070337 0.500489 Ta\n0.569849 0.678584 0.499511 Ta\n0.569849 0.070337 0.891265 Ta\n0.179072 0.678584 0.108735 Ta\n0.929553 0.929553 0.000000 Ta\n0.319675 0.319675 0.000000 Ta\n0.318878 0.929792 0.999848 Ta\n0.929945 0.319031 0.000152 Ta\n0.929945 0.929792 0.610914 Ta\n0.318878 0.319031 0.389086 Ta\n0.751309 0.502503 0.248806 Cr\n0.253697 0.502503 0.751194 Cr\n0.749105 0.502116 0.753011 Cr\n0.749105 0.996094 0.246989 Cr\n0.952913 0.298895 0.654018 Cr\n0.644876 0.298895 0.345982 Cr\n0.954254 0.299371 0.345117 Co\n0.954254 0.609137 0.654883 Co\n0.548793 0.700768 0.848025 Co\n0.852743 0.700768 0.151975 Co\n0.547579 0.702031 0.154452 Co\n0.547579 0.393127 0.845548 Co\n0.249279 0.999521 0.249759 C\n0.749762 0.999521 0.750241 C\n0.249515 0.998792 0.749278 C\n0.249515 0.500237 0.250722 C\n",
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"formula_full": "Ta12 Cr6 Co6 C4",
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{
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"structure_string": "V3 H5 O8\n1.0\n1.552893 9.696144 0.000000\n-1.552893 9.696144 0.000000\n0.000000 1.190439 4.661511\nV H O\n3 5 8\ndirect\n0.001252 0.001252 0.481546 V\n0.819259 0.819259 0.377698 V\n0.179513 0.179513 0.622840 V\n0.583153 0.583153 0.097382 H\n0.495338 0.495338 0.957337 H\n0.413213 0.413213 0.905765 H\n0.311592 0.311592 0.925717 H\n0.688563 0.688563 0.072186 H\n0.530336 0.530336 0.200765 O\n0.467866 0.467866 0.794258 O\n0.906098 0.906098 0.419394 O\n0.092864 0.092864 0.577354 O\n0.339106 0.339106 0.080082 O\n0.662743 0.662743 0.912402 O\n0.716999 0.716999 0.357156 O\n0.282702 0.282702 0.640385 O\n",
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{
"id": "mp-1216727",
"created_at": "2022-09-04T14:43:05.688336Z",
"structure_string": "Tl9 Sn1 Te6\n1.0\n-4.510954 4.510954 6.630790\n4.510954 -4.510954 6.630790\n4.510954 4.510954 -6.630790\nTl Sn Te\n9 1 6\ndirect\n0.803578 0.009364 0.500902 Tl\n0.508462 0.302676 0.499098 Tl\n0.302676 0.803578 0.794214 Tl\n0.009364 0.508462 0.205786 Tl\n0.196422 0.990636 0.499098 Tl\n0.491538 0.697324 0.500902 Tl\n0.697324 0.196422 0.205786 Tl\n0.990636 0.491538 0.794214 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Sn\n0.850518 0.671032 0.521550 Te\n0.149482 0.328968 0.478450 Te\n0.328968 0.850518 0.179486 Te\n0.671032 0.149482 0.820514 Te\n0.760305 0.760305 0.000000 Te\n0.239695 0.239695 0.000000 Te\n",
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{
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