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"structure_string": "Zn12 O12\n1.0\n1.527739 -2.646121 0.000000\n1.527739 2.646121 0.000000\n0.000000 0.000000 30.409913\nZn O\n12 12\ndirect\n0.333333 0.666667 0.834938 Zn\n0.666667 0.333333 0.165062 Zn\n0.666667 0.333333 0.334938 Zn\n0.333333 0.666667 0.665062 Zn\n0.333333 0.666667 0.417472 Zn\n0.666667 0.333333 0.582528 Zn\n0.666667 0.333333 0.917472 Zn\n0.333333 0.666667 0.082528 Zn\n0.000000 0.000000 0.250000 Zn\n0.000000 0.000000 0.750000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.958731 O\n0.666667 0.333333 0.041269 O\n0.666667 0.333333 0.458731 O\n0.333333 0.666667 0.541269 O\n0.333333 0.666667 0.206158 O\n0.666667 0.333333 0.793842 O\n0.666667 0.333333 0.706158 O\n0.333333 0.666667 0.293842 O\n0.000000 0.000000 0.123759 O\n0.000000 0.000000 0.876241 O\n0.000000 0.000000 0.623759 O\n0.000000 0.000000 0.376241 O\n",
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"spacegroup": 194
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{
"id": "mp-9977",
"created_at": "2022-09-04T14:41:34.984297Z",
"structure_string": "Er4 Fe2 C8\n1.0\n-2.497227 3.729920 4.749435\n2.497227 -3.729920 4.749435\n2.497227 3.729920 -4.749435\nEr Fe C\n4 2 8\ndirect\n0.510947 0.855390 0.655558 Er\n0.489053 0.144610 0.344442 Er\n0.800168 0.644610 0.155558 Er\n0.199832 0.355390 0.844442 Er\n0.000000 0.250000 0.250000 Fe\n0.000000 0.750000 0.750000 Fe\n0.244211 0.578050 0.666160 C\n0.755789 0.421950 0.333840 C\n0.088110 0.921950 0.166160 C\n0.911890 0.078050 0.833840 C\n0.468086 0.629384 0.838701 C\n0.531914 0.370616 0.161299 C\n0.790683 0.129384 0.661299 C\n0.209317 0.870616 0.338701 C\n",
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"elements": [
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"chemical_system": "C-Er-Fe",
"density": 8.228030740902604,
"density_atomic": 0.07911677154251218,
"volume": 176.95363103229403,
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"formula_full": "Er4 Fe2 C8",
"formula_reduced": "Er2FeC4",
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"updated_at": "2021-11-28T01:35:25.343000Z",
"spacegroup": 72
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{
"id": "mp-9978",
"created_at": "2022-09-04T14:47:07.153013Z",
"structure_string": "Er2 Se4\n1.0\n4.048683 0.000000 0.000000\n0.000000 4.048683 0.000000\n0.000000 0.000000 8.282225\nEr Se\n2 4\ndirect\n0.000000 0.500000 0.726076 Er\n0.500000 0.000000 0.273924 Er\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.000000 0.629569 Se\n0.000000 0.500000 0.370431 Se\n",
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"elements": [
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"chemical_system": "Er-Se",
"density": 7.954758721170008,
"density_atomic": 0.044195360168348706,
"volume": 135.76085763629564,
"volume_molar": 13.626183239734889,
"formula_full": "Er2 Se4",
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"updated_at": "2021-11-28T01:37:52.032000Z",
"spacegroup": 129
}
]
}