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{
"id": "mp-1112408",
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"structure_string": "Rb2 Hg1 As1 F6\n1.0\n0.000000 4.711220 4.711220\n4.711220 0.000000 4.711220\n4.711220 4.711220 0.000000\nRb Hg As F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.211451 0.211451 0.788549 F\n0.211451 0.788549 0.788549 F\n0.788549 0.788549 0.211451 F\n0.211451 0.788549 0.211451 F\n0.788549 0.211451 0.788549 F\n0.788549 0.211451 0.211451 F\n",
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{
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"structure_string": "Rb2 Cr1 Hg1 F6\n1.0\n6.657218 0.000000 0.000000\n3.328609 5.765320 0.000000\n3.328609 1.921773 5.435596\nRb Cr Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Hg\n0.198685 0.801315 0.198685 F\n0.801315 0.801315 0.198685 F\n0.801315 0.198685 0.801315 F\n0.801315 0.198685 0.198685 F\n0.198685 0.801315 0.801315 F\n0.198685 0.198685 0.801315 F\n",
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{
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"created_at": "2022-09-04T14:40:06.336589Z",
"structure_string": "Rb2 Co1 Hg1 F6\n1.0\n6.210912 0.000000 0.000000\n3.105456 5.378808 0.000000\n3.105456 1.792936 5.071188\nRb Co Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Hg\n0.233260 0.766740 0.233260 F\n0.766740 0.766740 0.233260 F\n0.766740 0.233260 0.766740 F\n0.766740 0.233260 0.233260 F\n0.233260 0.766740 0.766740 F\n0.233260 0.233260 0.766740 F\n",
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"spacegroup": 225
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{
"id": "mp-11124",
"created_at": "2022-09-04T14:41:06.683784Z",
"structure_string": "Cs2 La2 Hg2 Se6\n1.0\n2.244586 -8.160163 0.000000\n2.244586 8.160163 0.000000\n0.000000 0.000000 11.570939\nCs La Hg Se\n2 2 2 6\ndirect\n0.255441 0.744559 0.750000 Cs\n0.744559 0.255441 0.250000 Cs\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.459173 0.540827 0.250000 Hg\n0.540827 0.459173 0.750000 Hg\n0.062548 0.937452 0.250000 Se\n0.937452 0.062548 0.750000 Se\n0.621123 0.378877 0.551511 Se\n0.621123 0.378877 0.948489 Se\n0.378877 0.621123 0.051511 Se\n0.378877 0.621123 0.448489 Se\n",
"nsites": 12,
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"density": 5.5572980315623175,
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"formula_full": "Cs2 La2 Hg2 Se6",
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"updated_at": "2021-11-28T01:35:11.532000Z",
"spacegroup": 63
},
{
"id": "mp-1112399",
"created_at": "2022-09-04T14:39:48.980151Z",
"structure_string": "Cs2 Na1 Ta1 I6\n1.0\n0.000000 6.026987 6.026987\n6.026987 0.000000 6.026987\n6.026987 6.026987 0.000000\nCs Na Ta I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ta\n0.763701 0.236299 0.236299 I\n0.236299 0.236299 0.763701 I\n0.236299 0.763701 0.763701 I\n0.236299 0.763701 0.236299 I\n0.763701 0.236299 0.763701 I\n0.763701 0.763701 0.236299 I\n",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:34:43.182000Z",
"spacegroup": 225
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{
"id": "mp-1112383",
"created_at": "2022-09-04T14:41:54.992859Z",
"structure_string": "K2 In1 Cu1 Cl6\n1.0\n0.000000 5.087141 5.087141\n5.087141 0.000000 5.087141\n5.087141 5.087141 0.000000\nK In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.746984 0.253016 0.253016 Cl\n0.253016 0.253016 0.746984 Cl\n0.253016 0.746984 0.746984 Cl\n0.253016 0.746984 0.253016 Cl\n0.746984 0.253016 0.746984 Cl\n0.746984 0.746984 0.253016 Cl\n",
"nsites": 10,
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"density_atomic": 0.037979450681273945,
"volume": 263.3002800361875,
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"formula_full": "K2 In1 Cu1 Cl6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:36.311000Z",
"spacegroup": 225
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{
"id": "mp-1112380",
"created_at": "2022-09-04T14:46:19.862316Z",
"structure_string": "K2 Cu1 Mo1 Cl6\n1.0\n7.072344 -0.000000 -0.000000\n3.536172 6.124830 -0.000000\n3.536172 2.041610 5.774545\nK Cu Mo Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Mo\n0.247596 0.752404 0.247596 Cl\n0.752404 0.752404 0.247596 Cl\n0.752404 0.247596 0.752404 Cl\n0.752404 0.247596 0.247596 Cl\n0.247596 0.752404 0.752404 Cl\n0.247596 0.247596 0.752404 Cl\n",
"nsites": 10,
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"density": 2.9900115925038224,
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"volume": 250.1354154596388,
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"formula_full": "K2 Cu1 Mo1 Cl6",
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{
"id": "mp-1112379",
"created_at": "2022-09-04T14:44:26.136486Z",
"structure_string": "Cs3 Al1 Br6\n1.0\n0.000000 5.940543 5.940543\n5.940543 0.000000 5.940543\n5.940543 5.940543 0.000000\nCs Al Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Al\n0.786890 0.213110 0.213110 Br\n0.213110 0.213110 0.786890 Br\n0.213110 0.786890 0.786890 Br\n0.213110 0.786890 0.213110 Br\n0.786890 0.213110 0.786890 Br\n0.786890 0.786890 0.213110 Br\n",
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"volume": 419.28413247753855,
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"formula_full": "Cs3 Al1 Br6",
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{
"id": "mp-1112377",
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"structure_string": "K2 Ta1 Cu1 Cl6\n1.0\n7.097172 -0.000000 -0.000000\n3.548587 6.146332 -0.000000\n3.548587 2.048777 5.794817\nK Ta Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.252419 0.747581 0.252419 Cl\n0.747581 0.747581 0.252419 Cl\n0.747581 0.252419 0.747581 Cl\n0.747581 0.252419 0.252419 Cl\n0.252419 0.747581 0.747581 Cl\n0.252419 0.252419 0.747581 Cl\n",
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{
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"structure_string": "Cs3 As1 Br6\n1.0\n0.000000 6.074751 6.074751\n6.074751 0.000000 6.074751\n6.074751 6.074751 0.000000\nCs As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 As\n0.780159 0.219841 0.219841 Br\n0.219841 0.219841 0.780159 Br\n0.219841 0.780159 0.780159 Br\n0.219841 0.780159 0.219841 Br\n0.780159 0.219841 0.780159 Br\n0.780159 0.780159 0.219841 Br\n",
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{
"id": "mp-1112373",
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"structure_string": "Cs3 As1 Cl6\n1.0\n0.000000 5.778035 5.778035\n5.778035 0.000000 5.778035\n5.778035 5.778035 0.000000\nCs As Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 As\n0.782113 0.217887 0.217887 Cl\n0.217887 0.217887 0.782113 Cl\n0.217887 0.782113 0.782113 Cl\n0.217887 0.782113 0.217887 Cl\n0.782113 0.217887 0.782113 Cl\n0.782113 0.782113 0.217887 Cl\n",
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{
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}