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{
"id": "mp-862817",
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"structure_string": "Pa1 Hg1 Au2\n1.0\n0.000000 3.519697 3.519697\n3.519697 0.000000 3.519697\n3.519697 3.519697 0.000000\nPa Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 0.500000 Hg\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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{
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{
"id": "mp-1186783",
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"structure_string": "Pt3 Cl1\n1.0\n0.000000 3.200410 3.200410\n3.200410 0.000000 3.200410\n3.200410 3.200410 0.000000\nPt Cl\n3 1\ndirect\n0.750000 0.750000 0.750000 Pt\n0.250000 0.250000 0.250000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Cl\n",
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"formula_full": "Pt3 Cl1",
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"updated_at": "2021-11-28T01:35:58.520000Z",
"spacegroup": 225
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{
"id": "mp-1225995",
"created_at": "2022-09-04T14:39:47.688930Z",
"structure_string": "Co1 Re1\n1.0\n1.341672 -2.323844 0.000000\n1.341672 2.323844 0.000000\n0.000000 0.000000 4.151993\nCo Re\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.500000 Re\n",
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"formula_full": "Co1 Re1",
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"spacegroup": 187
},
{
"id": "mp-1077393",
"created_at": "2022-09-04T14:41:31.726244Z",
"structure_string": "Tm1 B2 Ir3\n1.0\n2.730179 -4.728810 0.000000\n2.730179 4.728810 0.000000\n0.000000 0.000000 3.137854\nTm B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Tm\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.500000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n",
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"elements": [
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"formula_full": "Tm1 B2 Ir3",
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"updated_at": "2021-11-28T01:35:19.115000Z",
"spacegroup": 191
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{
"id": "mp-1422",
"created_at": "2022-09-04T14:47:36.743904Z",
"structure_string": "Gd2 Pt4\n1.0\n0.000000 3.866660 3.866660\n3.866660 0.000000 3.866660\n3.866660 3.866660 0.000000\nGd Pt\n2 4\ndirect\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Gd\n0.125000 0.125000 0.125000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n",
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"density": 15.72389785531124,
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"formula_full": "Gd2 Pt4",
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"updated_at": "2021-11-28T01:38:13.258000Z",
"spacegroup": 227
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{
"id": "mp-1220502",
"created_at": "2022-09-04T14:41:10.500507Z",
"structure_string": "Nb5 Ir7\n1.0\n2.853673 0.000000 0.000000\n0.000000 4.862855 0.000000\n0.000000 0.000000 13.773935\nNb Ir\n5 7\ndirect\n0.000000 0.691756 0.340462 Nb\n0.000000 0.329995 0.166124 Nb\n0.000000 0.691756 0.659538 Nb\n0.000000 0.329995 0.833876 Nb\n0.000000 0.953318 0.000000 Nb\n0.500000 0.462889 0.000000 Ir\n0.500000 0.509639 0.500000 Ir\n0.500000 0.178050 0.335957 Ir\n0.500000 0.826296 0.170137 Ir\n0.500000 0.178050 0.664043 Ir\n0.500000 0.826296 0.829863 Ir\n0.000000 0.021960 0.500000 Ir\n",
"nsites": 12,
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"elements": [
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"volume": 191.14086867322914,
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"formula_full": "Nb5 Ir7",
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"energy": -118.02583583999998,
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"spacegroup": 25
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{
"id": "mp-1184801",
"created_at": "2022-09-04T14:42:11.465165Z",
"structure_string": "Gd1 U3\n1.0\n-2.185790 2.185790 4.814243\n2.185790 -2.185790 4.814243\n2.185790 2.185790 -4.814243\nGd U\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.750000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.750000 0.250000 0.500000 U\n",
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{
"id": "mp-1221418",
"created_at": "2022-09-04T14:47:10.152188Z",
"structure_string": "Mo1 Os1\n1.0\n1.390878 -2.409071 0.000000\n1.390878 2.409071 0.000000\n0.000000 0.000000 4.507055\nMo Os\n1 1\ndirect\n0.666667 0.333333 0.500000 Mo\n0.333333 0.666667 0.000000 Os\n",
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{
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"structure_string": "Zn4 Au12\n1.0\n2.899827 -8.361552 0.000000\n2.899827 8.361552 0.000000\n0.000000 0.000000 5.711258\nZn Au\n4 12\ndirect\n0.636169 0.363831 0.000000 Zn\n0.363831 0.636169 0.000000 Zn\n0.136169 0.863831 0.500000 Zn\n0.863831 0.136169 0.500000 Zn\n0.682679 0.682679 0.181478 Au\n0.182679 0.182679 0.318522 Au\n0.817321 0.817321 0.681478 Au\n0.380802 0.619198 0.500000 Au\n0.997890 0.497890 0.750000 Au\n0.880802 0.119198 0.000000 Au\n0.002110 0.502110 0.250000 Au\n0.317321 0.317321 0.818522 Au\n0.619198 0.380802 0.500000 Au\n0.119198 0.880802 0.000000 Au\n0.502110 0.002110 0.250000 Au\n0.497890 0.997890 0.750000 Au\n",
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{
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{
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"created_at": "2022-09-04T14:41:47.087843Z",
"structure_string": "Ir1 C1\n1.0\n1.525126 -2.641596 0.000000\n1.525126 2.641596 0.000000\n0.000000 0.000000 2.673382\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.500000 C\n",
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"updated_at": "2021-11-28T01:35:40.056000Z",
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]
}