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{
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{
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"structure_string": "Sr1 Dy1 O3\n1.0\n4.372935 0.000000 0.000000\n0.000000 4.372935 0.000000\n0.000000 0.000000 4.372935\nSr Dy O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Dy\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:47:09.432486Z",
"structure_string": "Ni2 Se2 O10\n1.0\n4.060182 3.555730 0.000000\n-4.060182 3.555730 0.000000\n0.000000 2.908351 6.254018\nNi Se O\n2 2 10\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.332389 0.667611 0.750000 Se\n0.667611 0.332389 0.250000 Se\n0.262554 0.362660 0.921965 O\n0.737446 0.637340 0.078035 O\n0.637340 0.737446 0.578035 O\n0.362660 0.262554 0.421965 O\n0.319556 0.889660 0.881637 O\n0.680444 0.110340 0.118363 O\n0.110340 0.680444 0.618363 O\n0.889660 0.319556 0.381637 O\n0.915357 0.084643 0.750000 O\n0.084643 0.915357 0.250000 O\n",
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{
"id": "mp-1219797",
"created_at": "2022-09-04T14:47:09.427750Z",
"structure_string": "Ni6 Sn1 Te2\n1.0\n-1.897477 1.897477 9.681298\n1.897477 -1.897477 9.681298\n1.897477 1.897477 -9.681298\nNi Sn Te\n6 1 2\ndirect\n0.501075 0.501075 0.000000 Ni\n0.906556 0.406556 0.500000 Ni\n0.406556 0.906556 0.500000 Ni\n0.095409 0.595409 0.500000 Ni\n0.595409 0.095409 0.500000 Ni\n0.808853 0.808853 0.000000 Ni\n0.000351 0.000351 0.000000 Sn\n0.316225 0.316225 0.000000 Te\n0.679167 0.679167 0.000000 Te\n",
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{
"id": "mp-757053",
"created_at": "2022-09-04T14:47:09.420673Z",
"structure_string": "Li2 Nb2 P8 O24\n1.0\n3.578259 7.950862 0.000000\n-3.578259 7.950862 0.000000\n0.000000 5.306186 7.868729\nLi Nb P O\n2 2 8 24\ndirect\n0.696754 0.303246 0.750000 Li\n0.303246 0.696754 0.250000 Li\n0.170554 0.829446 0.750000 Nb\n0.829446 0.170554 0.250000 Nb\n0.006344 0.703029 0.188148 P\n0.421441 0.310708 0.119186 P\n0.689292 0.578559 0.380814 P\n0.296971 0.993656 0.311852 P\n0.703029 0.006344 0.688148 P\n0.310708 0.421441 0.619186 P\n0.578559 0.689292 0.880814 P\n0.993656 0.296971 0.811852 P\n0.602732 0.177738 0.196662 O\n0.220667 0.477625 0.230575 O\n0.991119 0.750901 0.019288 O\n0.827758 0.665014 0.341325 O\n0.987941 0.148241 0.779293 O\n0.334986 0.172242 0.158675 O\n0.249099 0.008881 0.480712 O\n0.584152 0.549000 0.567148 O\n0.451000 0.415848 0.932852 O\n0.522375 0.779333 0.269425 O\n0.822262 0.397268 0.303338 O\n0.851759 0.012059 0.720707 O\n0.148241 0.987941 0.279293 O\n0.177738 0.602732 0.696662 O\n0.477625 0.220667 0.730575 O\n0.549000 0.584152 0.067148 O\n0.415848 0.451000 0.432852 O\n0.750901 0.991119 0.519288 O\n0.665014 0.827758 0.841325 O\n0.012059 0.851759 0.220707 O\n0.172242 0.334986 0.658675 O\n0.008881 0.249099 0.980712 O\n0.779333 0.522375 0.769425 O\n0.397268 0.822262 0.803338 O\n",
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{
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"structure_string": "Li2 In1 Cu1 Cl6\n1.0\n0.000000 5.009075 5.009075\n5.009075 0.000000 5.009075\n5.009075 5.009075 0.000000\nLi In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745792 0.254208 0.254208 Cl\n0.254208 0.254208 0.745792 Cl\n0.254208 0.745792 0.745792 Cl\n0.254208 0.745792 0.254208 Cl\n0.745792 0.254208 0.745792 Cl\n0.745792 0.745792 0.254208 Cl\n",
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{
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"structure_string": "Ta8 Cr4 O24\n1.0\n4.826353 -0.021960 0.042715\n0.102262 -4.872604 9.378965\n0.043914 -9.656656 0.047263\nTa Cr O\n8 4 24\ndirect\n0.505862 0.166165 0.170482 Ta\n0.499501 0.170982 0.667065 Ta\n0.997692 0.668100 0.161943 Ta\n0.003367 0.667411 0.666043 Ta\n0.494147 0.833813 0.829572 Ta\n0.500532 0.828975 0.332868 Ta\n0.996523 0.332661 0.333894 Ta\n0.002470 0.331973 0.838095 Ta\n0.499906 0.499937 0.000107 Cr\n0.000157 0.000020 0.500054 Cr\n0.499822 0.499807 0.500183 Cr\n0.999388 0.000192 0.999793 Cr\n0.311969 0.997860 0.342898 O\n0.313747 0.001766 0.844282 O\n0.194565 0.502250 0.846160 O\n0.174640 0.499050 0.337350 O\n0.805547 0.497729 0.153810 O\n0.825508 0.500939 0.662648 O\n0.686025 0.998228 0.155640 O\n0.688288 0.002114 0.657197 O\n0.290829 0.309236 0.205244 O\n0.306833 0.327582 0.692443 O\n0.203637 0.825808 0.684488 O\n0.192981 0.820411 0.186856 O\n0.776387 0.810495 0.987120 O\n0.789683 0.811489 0.481002 O\n0.796585 0.174145 0.315513 O\n0.806810 0.179754 0.812992 O\n0.223655 0.189472 0.012933 O\n0.210447 0.188553 0.518894 O\n0.713388 0.321861 0.992610 O\n0.705162 0.322123 0.490720 O\n0.286728 0.678068 0.007472 O\n0.294811 0.677936 0.509220 O\n0.709280 0.690764 0.794780 O\n0.693129 0.672329 0.307628 O\n",
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{
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{
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"id": "mp-1018802",
"created_at": "2022-09-04T14:47:09.398535Z",
"structure_string": "Mn2 Ga2 Ge2\n1.0\n3.945957 0.000000 0.000000\n0.000000 3.945957 0.000000\n0.000000 0.000000 5.910882\nMn Ga Ge\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.703773 Ga\n0.500000 0.000000 0.296227 Ga\n0.000000 0.500000 0.280947 Ge\n0.500000 0.000000 0.719053 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-Mn",
"density": 7.1195327546478495,
"density_atomic": 0.06519199390262205,
"volume": 92.03584122556923,
"volume_molar": 9.237546513756481,
"formula_full": "Mn2 Ga2 Ge2",
"formula_reduced": "MnGaGe",
"formula_anonymous": "ABC",
"energy": -34.32148877,
"energy_per_atom": -5.720248128333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.32148877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1006219,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.775000Z",
"spacegroup": 129
}
]
}