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{
"id": "mp-11275",
"created_at": "2022-09-04T14:40:11.306030Z",
"structure_string": "Be8 Re4\n1.0\n2.188391 -3.790405 0.000000\n2.188391 3.790405 0.000000\n0.000000 0.000000 7.156537\nBe Re\n8 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.831169 0.662338 0.250000 Be\n0.168831 0.831169 0.750000 Be\n0.662338 0.831169 0.750000 Be\n0.337662 0.168831 0.250000 Be\n0.831169 0.168831 0.250000 Be\n0.168831 0.337662 0.750000 Be\n0.333333 0.666667 0.061799 Re\n0.666667 0.333333 0.561799 Re\n0.666667 0.333333 0.938201 Re\n0.333333 0.666667 0.438201 Re\n",
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{
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{
"id": "mp-11273",
"created_at": "2022-09-04T14:41:26.003831Z",
"structure_string": "Be9 Nb3\n1.0\n7.147628 -2.283165 0.000000\n7.147628 2.283165 0.000000\n6.418317 0.000000 3.886725\nBe Nb\n9 3\ndirect\n0.500000 0.500000 0.500000 Be\n0.334363 0.334363 0.334364 Be\n0.665637 0.665637 0.665636 Be\n0.075647 0.583769 0.583769 Be\n0.583769 0.583769 0.075647 Be\n0.583769 0.075647 0.583769 Be\n0.416231 0.924353 0.416231 Be\n0.924353 0.416231 0.416231 Be\n0.416231 0.416231 0.924353 Be\n0.000000 0.000000 0.000000 Nb\n0.140278 0.140278 0.140278 Nb\n0.859722 0.859722 0.859722 Nb\n",
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"volume": 126.85659471054245,
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"formula_full": "Be9 Nb3",
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"updated_at": "2021-11-28T01:35:26.778000Z",
"spacegroup": 166
},
{
"id": "mp-11272",
"created_at": "2022-09-04T14:44:23.063070Z",
"structure_string": "Be4 Nb6\n1.0\n6.538072 0.000000 0.000000\n0.000000 6.538072 0.000000\n0.000000 0.000000 3.364092\nBe Nb\n4 6\ndirect\n0.886744 0.386744 0.000000 Be\n0.386744 0.113256 0.000000 Be\n0.613256 0.886744 0.000000 Be\n0.113256 0.613256 0.000000 Be\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Nb\n0.679242 0.179242 0.500000 Nb\n0.179242 0.320758 0.500000 Nb\n0.820758 0.679242 0.500000 Nb\n0.320758 0.820758 0.500000 Nb\n",
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"formula_full": "Be4 Nb6",
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"formula_anonymous": "A2B3",
"energy": -76.91424098,
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"updated_at": "2021-11-28T01:36:35.718000Z",
"spacegroup": 127
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{
"id": "mp-11271",
"created_at": "2022-09-04T14:48:11.892413Z",
"structure_string": "Be2 Mo6\n1.0\n4.854445 0.000000 0.000000\n0.000000 4.854445 0.000000\n0.000000 0.000000 4.854445\nBe Mo\n2 6\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Be\n0.250000 0.000000 0.500000 Mo\n0.750000 0.000000 0.500000 Mo\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.750000 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n",
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"elements": [
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"formula_full": "Be2 Mo6",
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"updated_at": "2021-11-28T01:38:33.676000Z",
"spacegroup": 223
},
{
"id": "mp-11270",
"created_at": "2022-09-04T14:43:57.998021Z",
"structure_string": "Mn4 Be8\n1.0\n2.072233 -3.589213 0.000000\n2.072233 3.589213 0.000000\n0.000000 0.000000 6.759455\nMn Be\n4 8\ndirect\n0.333333 0.666667 0.060630 Mn\n0.666667 0.333333 0.560630 Mn\n0.666667 0.333333 0.939370 Mn\n0.333333 0.666667 0.439370 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.829886 0.659771 0.250000 Be\n0.170114 0.829886 0.750000 Be\n0.659771 0.829886 0.750000 Be\n0.340229 0.170114 0.250000 Be\n0.829886 0.170114 0.250000 Be\n0.170114 0.340229 0.750000 Be\n",
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"density": 4.81979713360536,
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"volume": 100.54940254061543,
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"formula_full": "Mn4 Be8",
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"updated_at": "2021-11-28T01:36:09.227000Z",
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{
"id": "mp-1127",
"created_at": "2022-09-04T14:40:15.212431Z",
"structure_string": "Sm2 Pt4\n1.0\n0.000000 3.883655 3.883655\n3.883655 0.000000 3.883655\n3.883655 3.883655 0.000000\nSm Pt\n2 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Sm\n0.125000 0.625000 0.625000 Pt\n0.625000 0.625000 0.625000 Pt\n0.625000 0.625000 0.125000 Pt\n0.625000 0.125000 0.625000 Pt\n",
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"density": 15.323055147591624,
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"volume": 117.15259808775647,
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"updated_at": "2021-11-28T01:34:53.378000Z",
"spacegroup": 227
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{
"id": "mp-11269",
"created_at": "2022-09-04T14:44:42.242673Z",
"structure_string": "Ba1 Sn3 Pd1\n1.0\n-2.483843 2.483843 5.683901\n2.483843 -2.483843 5.683901\n2.483843 2.483843 -5.683901\nBa Sn Pd\n1 3 1\ndirect\n0.000265 0.000265 0.000000 Ba\n0.250032 0.750032 0.500000 Sn\n0.412539 0.412539 0.000000 Sn\n0.750032 0.250032 0.500000 Sn\n0.649133 0.649133 0.000000 Pd\n",
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"volume": 140.26676432956836,
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"formula_full": "Ba1 Sn3 Pd1",
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"updated_at": "2021-11-28T01:36:41.394000Z",
"spacegroup": 107
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{
"id": "mp-11267",
"created_at": "2022-09-04T14:39:12.634534Z",
"structure_string": "Ba1 Hg2\n1.0\n2.614843 -4.529040 0.000000\n2.614843 4.529040 0.000000\n0.000000 0.000000 4.346182\nBa Hg\n1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Hg\n0.333333 0.666667 0.000000 Hg\n",
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{
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"structure_string": "Ba2 Cd4\n1.0\n-2.663319 4.236959 4.398770\n2.663319 -4.236959 4.398770\n2.663319 4.236959 -4.398770\nBa Cd\n2 4\ndirect\n0.202814 0.452814 0.750000 Ba\n0.797186 0.547186 0.250000 Ba\n0.225916 0.164624 0.061292 Cd\n0.774084 0.835376 0.938708 Cd\n0.603332 0.164624 0.438708 Cd\n0.396668 0.835376 0.561292 Cd\n",
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{
"id": "mp-11265",
"created_at": "2022-09-04T14:42:14.571435Z",
"structure_string": "Ba4 Ca4 Sn4\n1.0\n5.325224 0.000000 0.000000\n0.000000 8.910542 0.000000\n0.000000 0.000000 9.775419\nBa Ca Sn\n4 4 4\ndirect\n0.250000 0.021431 0.181390 Ba\n0.750000 0.978569 0.818610 Ba\n0.250000 0.521431 0.318610 Ba\n0.750000 0.478569 0.681390 Ba\n0.750000 0.855837 0.428657 Ca\n0.250000 0.644163 0.928657 Ca\n0.750000 0.355837 0.071343 Ca\n0.250000 0.144163 0.571343 Ca\n0.250000 0.274894 0.891571 Sn\n0.750000 0.225106 0.391571 Sn\n0.250000 0.774894 0.608429 Sn\n0.750000 0.725106 0.108429 Sn\n",
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"formula_full": "Ba4 Ca4 Sn4",
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{
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"volume": 169.85133726099536,
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"formula_full": "Zr6 Au2",
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}
]
}