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{
"id": "mp-21069",
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"structure_string": "Y4 Si4 Ru4\n1.0\n4.314972 0.000000 0.000000\n0.000000 7.010276 0.000000\n0.000000 0.000000 7.188806\nY Si Ru\n4 4 4\ndirect\n0.750000 0.010205 0.186728 Y\n0.250000 0.489795 0.686728 Y\n0.750000 0.510205 0.313272 Y\n0.250000 0.989795 0.813272 Y\n0.250000 0.303754 0.105749 Si\n0.250000 0.803754 0.394251 Si\n0.750000 0.696246 0.894251 Si\n0.750000 0.196246 0.605749 Si\n0.250000 0.653411 0.066551 Ru\n0.250000 0.153411 0.433449 Ru\n0.750000 0.846589 0.566551 Ru\n0.750000 0.346589 0.933449 Ru\n",
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{
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{
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"structure_string": "Mg1 Ta1 Ir2\n1.0\n0.000000 3.164159 3.164159\n3.164159 0.000000 3.164159\n3.164159 3.164159 0.000000\nMg Ta Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
"id": "mp-1104856",
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{
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"created_at": "2022-09-04T14:39:09.900553Z",
"structure_string": "Re2 W4 C2\n1.0\n1.488327 -2.577859 0.000000\n1.488327 2.577859 0.000000\n0.000000 0.000000 13.973297\nRe W C\n2 4 2\ndirect\n0.333333 0.666667 0.593599 Re\n0.333333 0.666667 0.913197 Re\n0.000000 0.000000 0.071463 W\n0.000000 0.000000 0.415817 W\n0.000000 0.000000 0.756656 W\n0.333333 0.666667 0.248341 W\n0.666667 0.333333 0.160779 C\n0.666667 0.333333 0.506814 C\n",
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{
"id": "mp-1197659",
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"structure_string": "Dy4 Nb4 Fe30\n1.0\n0.000089 0.000096 -8.474969\n-4.245881 -7.354524 0.000128\n-4.246174 7.354693 -0.000039\nDy Nb Fe\n4 4 30\ndirect\n0.750037 0.999974 0.000025 Dy\n0.249963 0.000026 0.999975 Dy\n0.249976 0.666727 0.333281 Dy\n0.750024 0.333273 0.666719 Dy\n0.599111 0.666719 0.333288 Nb\n0.400889 0.333281 0.666712 Nb\n0.099075 0.333272 0.666710 Nb\n0.900925 0.666728 0.333290 Nb\n0.499999 0.500000 0.999999 Fe\n0.499999 0.500000 0.500000 Fe\n0.499999 0.000000 0.500001 Fe\n0.000001 0.500000 0.000000 Fe\n0.000001 0.500000 0.500000 Fe\n0.000001 0.000000 0.500000 Fe\n0.750019 0.670130 0.028326 Fe\n0.750015 0.358227 0.329945 Fe\n0.750022 0.971740 0.641777 Fe\n0.750019 0.358222 0.028258 Fe\n0.750022 0.971678 0.329874 Fe\n0.750015 0.670059 0.641772 Fe\n0.249981 0.329870 0.971674 Fe\n0.249985 0.641773 0.670056 Fe\n0.249978 0.028260 0.358223 Fe\n0.249981 0.641778 0.971741 Fe\n0.249978 0.028323 0.670127 Fe\n0.249985 0.329940 0.358229 Fe\n0.488426 0.837047 0.674002 Fe\n0.488476 0.837005 0.163001 Fe\n0.488424 0.325997 0.162955 Fe\n0.511573 0.162953 0.325999 Fe\n0.511523 0.162995 0.836999 Fe\n0.511575 0.674003 0.837044 Fe\n0.988443 0.162943 0.325990 Fe\n0.988491 0.162988 0.836999 Fe\n0.988441 0.674015 0.837053 Fe\n0.011558 0.837058 0.674010 Fe\n0.011510 0.837012 0.163001 Fe\n0.011560 0.325984 0.162946 Fe\n",
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{
"id": "mp-1025065",
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"structure_string": "La1 Mn2 Ni3\n1.0\n2.597126 -4.498354 0.000000\n2.597126 4.498354 0.000000\n0.000000 0.000000 3.996973\nLa Mn Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.000000 Mn\n0.666667 0.333333 0.000000 Mn\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n",
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{
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"structure_string": "Zr1 Mn6 Ga2 Sn4\n1.0\n-2.679785 -4.641523 0.000000\n-5.359750 0.000105 0.000000\n0.000000 0.000000 -8.781270\nZr Mn Ga Sn\n1 6 2 4\ndirect\n0.999995 0.000000 0.500000 Zr\n0.499974 0.000000 0.244849 Mn\n0.000001 0.500043 0.244760 Mn\n0.500044 0.499957 0.244760 Mn\n0.499974 0.000000 0.755151 Mn\n0.000001 0.500043 0.755240 Mn\n0.500044 0.499957 0.755240 Mn\n0.666579 0.666717 0.000000 Ga\n0.333296 0.333283 0.000000 Ga\n0.999936 0.000000 0.164555 Sn\n0.999936 0.000000 0.835445 Sn\n0.666741 0.666536 0.500000 Sn\n0.333276 0.333464 0.500000 Sn\n",
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{
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"formula_full": "Gd3 Ag3 Ge3",
"formula_reduced": "GdAgGe",
"formula_anonymous": "ABC",
"energy": -70.4424934,
"energy_per_atom": -7.826943711111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.4424934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.0434647,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.412000Z",
"spacegroup": 189
}
]
}