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"results": [
{
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{
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{
"id": "mp-1219583",
"created_at": "2022-09-04T14:41:15.437059Z",
"structure_string": "Sc2 V10 Ge10\n1.0\n0.000000 0.000000 -5.087245\n-0.003981 -7.771065 0.000000\n-8.268472 -3.889748 -2.543622\nSc V Ge\n2 10 10\ndirect\n0.357079 0.745313 0.285842 Sc\n0.642921 0.254687 0.714158 Sc\n0.063782 0.322452 0.872437 V\n0.936218 0.677548 0.127563 V\n0.435146 0.190065 0.129707 V\n0.564854 0.809935 0.870293 V\n0.942129 0.691140 0.618824 V\n0.560952 0.308860 0.381176 V\n0.057871 0.308860 0.381176 V\n0.439048 0.691140 0.618824 V\n0.144238 0.029932 0.711524 V\n0.855762 0.970068 0.288476 V\n0.434013 0.522095 0.131974 Ge\n0.565987 0.477905 0.868026 Ge\n0.067505 0.664855 0.864990 Ge\n0.932495 0.335145 0.135010 Ge\n0.246101 0.000000 0.000000 Ge\n0.753899 0.000000 0.000000 Ge\n0.210593 0.408456 0.578813 Ge\n0.789407 0.591544 0.421187 Ge\n0.286017 0.992313 0.427967 Ge\n0.713983 0.007687 0.572033 Ge\n",
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{
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"structure_string": "Y6 Co6 O18\n1.0\n3.082877 -5.339700 0.000000\n3.082877 5.339700 0.000000\n0.000000 0.000000 11.428332\nY Co O\n6 6 18\ndirect\n0.666667 0.333333 0.230443 Y\n0.333333 0.666667 0.730443 Y\n0.666667 0.333333 0.730443 Y\n0.333333 0.666667 0.230443 Y\n0.000000 0.000000 0.776138 Y\n0.000000 0.000000 0.276138 Y\n0.665598 0.000000 0.499564 Co\n0.665598 0.665598 0.999564 Co\n0.000000 0.334402 0.999564 Co\n0.000000 0.665598 0.499564 Co\n0.334402 0.334402 0.499564 Co\n0.334402 0.000000 0.999564 Co\n0.666667 0.333333 0.021926 O\n0.333333 0.666667 0.521926 O\n0.666667 0.333333 0.521926 O\n0.333333 0.666667 0.021926 O\n0.000000 0.000000 0.982014 O\n0.000000 0.000000 0.482014 O\n0.358731 0.000000 0.839760 O\n0.358731 0.358731 0.339760 O\n0.000000 0.641269 0.339760 O\n0.000000 0.358731 0.839760 O\n0.641269 0.641269 0.839760 O\n0.641269 0.000000 0.339760 O\n0.307645 0.000000 0.164713 O\n0.307645 0.307645 0.664713 O\n0.000000 0.692355 0.664713 O\n0.000000 0.307645 0.164713 O\n0.692355 0.692355 0.164713 O\n0.692355 0.000000 0.664713 O\n",
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"formula_anonymous": "ABC3",
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{
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"created_at": "2022-09-04T14:41:15.461244Z",
"structure_string": "Sr1 Eu1 W4 O12\n1.0\n0.000000 3.957108 3.959203\n0.000000 -3.957108 3.959203\n8.059957 0.000000 0.000000\nSr Eu W O\n1 1 4 12\ndirect\n0.004705 0.004705 -0.000000 Sr\n0.499138 0.499138 0.500000 Eu\n0.500971 0.000109 0.749825 W\n0.500971 0.000109 0.250175 W\n0.000109 0.500971 0.250175 W\n0.000109 0.500971 0.749825 W\n0.723776 0.276515 0.745532 O\n0.276515 0.723776 0.745532 O\n0.276515 0.723776 0.254468 O\n0.723776 0.276515 0.254468 O\n0.767145 0.767145 0.771427 O\n0.238874 0.238874 0.727610 O\n0.238874 0.238874 0.272390 O\n0.767145 0.767145 0.228573 O\n0.467271 0.015297 -0.000000 O\n0.524518 0.973490 0.500000 O\n0.015297 0.467271 -0.000000 O\n0.973490 0.524518 0.500000 O\n",
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{
"id": "mp-635471",
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"structure_string": "Ce1 Bi1\n1.0\n4.230054 0.000000 0.000000\n0.000000 4.230054 0.000000\n0.000000 0.000000 3.525000\nCe Bi\n1 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Bi\n",
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{
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"structure_string": "Y2 Mg1 Mn2 S2 O5\n1.0\n4.025177 -0.180047 -11.125251\n0.085483 3.622294 -11.009239\n-0.201229 0.193060 11.711886\nY Mg Mn S O\n2 1 2 2 5\ndirect\n0.255083 0.392961 0.999912 Y\n0.619773 0.687677 0.000126 Y\n0.808909 0.004955 0.000420 Mg\n0.053852 0.097067 0.999638 Mn\n0.317792 0.598821 0.003120 Mn\n0.151673 0.233289 0.000297 S\n0.718846 0.844966 0.999997 S\n0.000592 0.986132 0.997575 O\n0.569089 0.111504 0.498042 O\n0.788309 0.489537 0.487247 O\n0.070715 0.612880 0.501550 O\n0.300922 0.001322 0.512076 O\n",
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{
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"structure_string": "Zn1 Cr4 Cd1 Se8\n1.0\n0.000000 5.379051 5.379051\n5.379051 0.000000 5.379051\n5.379051 5.379051 0.000000\nZn Cr Cd Se\n1 4 1 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.624605 0.125132 0.125132 Cr\n0.125132 0.624605 0.125132 Cr\n0.125132 0.125132 0.624605 Cr\n0.125132 0.125132 0.125132 Cr\n0.750000 0.750000 0.750000 Cd\n0.328301 0.890566 0.890566 Se\n0.890566 0.328301 0.890566 Se\n0.890566 0.890566 0.328301 Se\n0.890566 0.890566 0.890566 Se\n0.907468 0.364177 0.364177 Se\n0.364177 0.907468 0.364177 Se\n0.364177 0.364177 0.907468 Se\n0.364177 0.364177 0.364177 Se\n",
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{
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{
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{
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"structure_string": "Li4 Mn4 F16\n1.0\n7.430821 0.000000 0.000000\n0.000000 5.144344 0.000000\n0.000000 0.820604 7.606724\nLi Mn F\n4 4 16\ndirect\n0.263300 0.573807 0.787230 Li\n0.763300 0.426193 0.712770 Li\n0.236700 0.573807 0.287230 Li\n0.736700 0.426193 0.212770 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.274686 0.174468 0.959281 F\n0.622703 0.309702 0.932766 F\n0.057879 0.703801 0.898706 F\n0.953544 0.161313 0.765262 F\n0.453544 0.838687 0.734738 F\n0.557879 0.296199 0.601294 F\n0.122703 0.690298 0.567234 F\n0.774686 0.825532 0.540719 F\n0.225314 0.174468 0.459281 F\n0.877297 0.309702 0.432766 F\n0.442121 0.703801 0.398706 F\n0.546456 0.161313 0.265262 F\n0.046456 0.838687 0.234738 F\n0.942121 0.296199 0.101294 F\n0.377297 0.690298 0.067234 F\n0.725314 0.825532 0.040719 F\n",
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"is_magnetic": true,
"total_magnetization": 15.9991233,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.863000Z",
"spacegroup": 14
},
{
"id": "mp-597",
"created_at": "2022-09-04T14:41:15.460534Z",
"structure_string": "Ti9 Ni9\n1.0\n3.623271 -6.275689 0.000000\n3.623271 6.275689 0.000000\n0.000000 0.000000 5.397420\nTi Ni\n9 9\ndirect\n0.666667 0.333333 0.018093 Ti\n0.000000 0.000000 0.935742 Ti\n0.333333 0.666667 0.018093 Ti\n0.000000 0.685231 0.635481 Ti\n0.314769 0.314769 0.635481 Ti\n0.685231 0.000000 0.635481 Ti\n0.345734 0.000000 0.333045 Ti\n0.000000 0.345734 0.333045 Ti\n0.654266 0.654266 0.333045 Ti\n0.666667 0.333333 0.558010 Ni\n0.000000 0.000000 0.384442 Ni\n0.333333 0.666667 0.558010 Ni\n0.000000 0.687810 0.119164 Ni\n0.312190 0.312190 0.119164 Ni\n0.687810 0.000000 0.119164 Ni\n0.359580 0.000000 0.840638 Ni\n0.000000 0.359580 0.840638 Ni\n0.640420 0.640420 0.840638 Ni\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ti",
"Ni"
],
"chemical_system": "Ni-Ti",
"density": 6.487972611986743,
"density_atomic": 0.07333209021345885,
"volume": 245.4587063808582,
"volume_molar": 8.21214933662799,
"formula_full": "Ti9 Ni9",
"formula_reduced": "TiNi",
"formula_anonymous": "AB",
"energy": -129.79743504,
"energy_per_atom": -7.210968613333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.79743504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4006454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.763000Z",
"spacegroup": 157
}
]
}