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{
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{
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{
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"structure_string": "Si3 O6\n1.0\n2.370071 -4.105083 0.000000\n2.370071 4.105083 0.000000\n0.000000 0.000000 6.759488\nSi O\n3 6\ndirect\n0.918393 0.000000 0.666667 Si\n0.081607 0.081607 0.000000 Si\n0.000000 0.918393 0.333333 Si\n0.109975 0.441576 0.922833 O\n0.558424 0.668399 0.589500 O\n0.441576 0.109975 0.077167 O\n0.331601 0.890025 0.256167 O\n0.890025 0.331601 0.743833 O\n0.668399 0.558424 0.410500 O\n",
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{
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{
"id": "mp-1217026",
"created_at": "2022-09-04T14:44:11.729649Z",
"structure_string": "Ti1 B4 Mo1\n1.0\n1.526572 -2.644100 0.000000\n1.526572 2.644100 0.000000\n0.000000 0.000000 6.450592\nTi B Mo\n1 4 1\ndirect\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.743802 B\n0.666667 0.333333 0.256198 B\n0.333333 0.666667 0.743802 B\n0.333333 0.666667 0.256198 B\n0.000000 0.000000 0.000000 Mo\n",
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{
"id": "mp-1030236",
"created_at": "2022-09-04T14:44:21.012825Z",
"structure_string": "Te2 Mo2 W2 S6\n1.0\n1.637466 -2.836174 0.000000\n1.637466 2.836174 0.000000\n0.000000 0.000000 37.350250\nTe Mo W S\n2 2 2 6\ndirect\n0.333333 0.666667 0.709522 Te\n0.333333 0.666667 0.605618 Te\n0.333333 0.666667 0.469608 Mo\n0.666667 0.333333 0.281798 Mo\n0.333333 0.666667 0.093919 W\n0.666667 0.333333 0.657594 W\n0.333333 0.666667 0.322944 S\n0.666667 0.333333 0.052582 S\n0.666667 0.333333 0.428484 S\n0.666667 0.333333 0.135263 S\n0.666667 0.333333 0.510763 S\n0.333333 0.666667 0.240653 S\n",
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{
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"structure_string": "V4 P4 O14\n1.0\n-0.551231 0.000030 4.534457\n5.413354 -0.000078 0.046977\n-0.000150 10.395969 0.000052\nV P O\n4 4 14\ndirect\n0.405324 0.581412 0.342820 V\n0.594655 0.918826 0.842783 V\n0.405377 0.081291 0.157149 V\n0.594672 0.418574 0.657195 V\n0.859968 0.150921 0.389900 P\n0.140067 0.349055 0.889899 P\n0.859924 0.650929 0.110106 P\n0.140042 0.849069 0.610107 P\n0.000006 0.999985 0.499997 O\n0.999991 0.500006 0.999997 O\n0.371508 0.036863 0.674628 O\n0.628466 0.463129 0.174649 O\n0.371529 0.536853 0.825358 O\n0.628490 0.963133 0.325379 O\n0.283155 0.137143 0.955230 O\n0.716849 0.362854 0.455228 O\n0.283161 0.637135 0.544783 O\n0.716828 0.862845 0.044781 O\n0.884971 0.251803 0.800848 O\n0.115044 0.248205 0.300860 O\n0.884956 0.751792 0.699146 O\n0.115019 0.748177 0.199156 O\n",
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{
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{
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{
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{
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"energy_per_atom": -3.49500829,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.87304145,
"band_gap": 0.9083,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.687000Z",
"spacegroup": 8
}
]
}