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{
"id": "mp-685011",
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"structure_string": "Te8 I3\n1.0\n2.320804 2.274410 0.000000\n-2.320804 2.274410 0.000000\n0.000000 1.394443 90.438456\nTe I\n8 3\ndirect\n0.984635 0.984635 0.387273 Te\n0.977726 0.977726 0.197264 Te\n0.991862 0.991862 0.130413 Te\n0.990455 0.990455 0.011658 Te\n0.984614 0.984614 0.163902 Te\n0.968087 0.968087 0.310211 Te\n0.984511 0.984511 0.279686 Te\n0.977553 0.977553 0.043353 Te\n0.484501 0.484501 0.344846 I\n0.475808 0.475808 0.241701 I\n0.479248 0.479248 0.084473 I\n",
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{
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"formula_full": "Yb2 Te4",
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{
"id": "mp-1061769",
"created_at": "2022-09-04T14:43:11.946950Z",
"structure_string": "Cr1 Se2\n1.0\n1.729591 2.986598 0.000000\n-1.729591 2.986598 0.000000\n0.000000 0.966888 11.753184\nCr Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.313220 0.313220 0.127057 Se\n0.686780 0.686780 0.872943 Se\n",
"nsites": 3,
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"volume": 121.42433049968338,
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"formula_full": "Cr1 Se2",
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"energy": -18.90438576,
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"spacegroup": 12
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{
"id": "mp-1006059",
"created_at": "2022-09-04T14:43:11.958957Z",
"structure_string": "Tl6 Bi2\n1.0\n3.729055 -6.458913 0.000000\n3.729055 6.458913 0.000000\n0.000000 0.000000 5.389167\nTl Bi\n6 2\ndirect\n0.169781 0.339562 0.250000 Tl\n0.660438 0.830219 0.250000 Tl\n0.169781 0.830219 0.250000 Tl\n0.830219 0.660438 0.750000 Tl\n0.339562 0.169781 0.750000 Tl\n0.830219 0.169781 0.750000 Tl\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Bi-Tl",
"density": 10.517436213013115,
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"volume": 259.6030921103102,
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"formula_full": "Tl6 Bi2",
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"spacegroup": 194
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{
"id": "mp-1379",
"created_at": "2022-09-04T14:43:11.816336Z",
"structure_string": "Sn2 S2\n1.0\n1.902780 -6.053291 0.000000\n1.902780 6.053291 0.000000\n0.000000 0.000000 5.792169\nSn S\n2 2\ndirect\n0.841893 0.158107 0.250000 Sn\n0.158107 0.841893 0.750000 Sn\n0.194318 0.805682 0.250000 S\n0.805682 0.194318 0.750000 S\n",
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"density": 3.752814340433672,
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"volume": 133.42934398277887,
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"formula_full": "Sn2 S2",
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{
"id": "mp-1187566",
"created_at": "2022-09-04T14:43:07.219910Z",
"structure_string": "Tl1 Zn3\n1.0\n4.311399 0.000000 0.000000\n0.000000 4.311399 0.000000\n0.000000 0.000000 4.311399\nTl Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n",
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"density_atomic": 0.04991204237788621,
"volume": 80.14098020104704,
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"formula_full": "Tl1 Zn3",
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"updated_at": "2021-11-28T01:36:08.121000Z",
"spacegroup": 221
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{
"id": "mp-1209855",
"created_at": "2022-09-04T14:43:12.217767Z",
"structure_string": "Pu8 Mn2\n1.0\n-4.558961 -4.558961 0.000000\n-4.558961 0.000000 -4.558961\n0.000000 -4.558961 -4.558961\nPu Mn\n8 2\ndirect\n0.597669 0.597669 0.597669 Pu\n0.206993 0.597669 0.597669 Pu\n0.597669 0.206993 0.597669 Pu\n0.543007 0.152331 0.152331 Pu\n0.152331 0.152331 0.152331 Pu\n0.597669 0.597669 0.206993 Pu\n0.152331 0.543007 0.152331 Pu\n0.152331 0.152331 0.543007 Pu\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Mn\n",
"nsites": 10,
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"volume": 189.5080342310513,
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"formula_full": "Pu8 Mn2",
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"formula_anonymous": "AB4",
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"updated_at": "2021-11-28T01:35:56.421000Z",
"spacegroup": 227
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{
"id": "mp-1184848",
"created_at": "2022-09-04T14:43:06.843360Z",
"structure_string": "K3 Mo1\n1.0\n5.883750 0.000000 0.000000\n0.000000 5.883750 0.000000\n0.000000 0.000000 5.883750\nK Mo\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Mo\n",
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"formula_full": "K3 Mo1",
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{
"id": "mp-971718",
"created_at": "2022-09-04T14:43:08.067070Z",
"structure_string": "Zn1 Bi3\n1.0\n-2.522668 2.522668 4.562909\n2.522668 -2.522668 4.562909\n2.522668 2.522668 -4.562909\nZn Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Bi\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
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"density": 9.89812477416886,
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"updated_at": "2021-11-28T01:36:00.402000Z",
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{
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"structure_string": "B1 As1\n1.0\n0.000000 2.409627 2.409627\n2.409627 0.000000 2.409627\n2.409627 2.409627 0.000000\nB As\n1 1\ndirect\n0.750000 0.750000 0.750000 B\n0.000000 0.000000 0.000000 As\n",
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{
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"structure_string": "Rb1 I1\n1.0\n4.487542 0.000000 0.000000\n0.000000 4.487542 0.000000\n0.000000 0.000000 4.487542\nRb I\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 I\n",
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{
"id": "mp-1186288",
"created_at": "2022-09-04T14:43:11.356178Z",
"structure_string": "Nd5 Mg1\n1.0\n1.848410 -9.264956 0.000000\n1.848410 9.264956 0.000000\n0.000000 0.000000 5.882012\nNd Mg\n5 1\ndirect\n0.003807 0.996193 0.000000 Nd\n0.673068 0.326932 0.000000 Nd\n0.332289 0.667711 0.000000 Nd\n0.555511 0.444489 0.500000 Nd\n0.880326 0.119674 0.500000 Nd\n0.220515 0.779485 0.500000 Mg\n",
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]
}