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{
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"results": [
{
"id": "mp-1100154",
"created_at": "2022-09-04T14:43:02.959380Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n3.483589 -5.775544 0.000000\n3.483589 5.775544 0.000000\n0.000000 0.000000 5.261182\nRb Mg Ga\n1 6 1\ndirect\n0.835052 0.164948 0.500000 Rb\n0.336868 0.175978 0.500000 Mg\n0.824022 0.663132 0.500000 Mg\n0.190441 0.357173 0.000000 Mg\n0.642827 0.809559 0.000000 Mg\n0.652409 0.347591 0.000000 Mg\n0.165262 0.834738 0.000000 Mg\n0.353123 0.646877 0.500000 Ga\n",
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{
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"nsites": 32,
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"formula_full": "P2 W8 Cl22",
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"spacegroup": 12
},
{
"id": "mp-1103411",
"created_at": "2022-09-04T14:46:02.923439Z",
"structure_string": "Dy8 Au4\n1.0\n4.960018 0.000000 0.000000\n0.000000 7.148699 0.000000\n0.000000 0.000000 8.955905\nDy Au\n8 4\ndirect\n0.250000 0.851292 0.920557 Dy\n0.250000 0.351292 0.579443 Dy\n0.750000 0.148708 0.079443 Dy\n0.750000 0.648708 0.420557 Dy\n0.250000 0.484418 0.176820 Dy\n0.250000 0.984418 0.323180 Dy\n0.750000 0.515582 0.823180 Dy\n0.750000 0.015582 0.676820 Dy\n0.250000 0.256763 0.900184 Au\n0.250000 0.756763 0.599816 Au\n0.750000 0.743237 0.099816 Au\n0.750000 0.243237 0.400184 Au\n",
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"formula_full": "Dy8 Au4",
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"formula_anonymous": "AB2",
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"spacegroup": 62
},
{
"id": "mp-556422",
"created_at": "2022-09-04T14:40:19.713937Z",
"structure_string": "Nb4 Cl12 O4\n1.0\n11.501135 0.000000 0.000000\n0.000000 11.501135 0.000000\n0.000000 0.000000 4.001072\nNb Cl O\n4 12 4\ndirect\n0.623008 0.876992 0.695566 Nb\n0.123008 0.623008 0.304434 Nb\n0.376992 0.123008 0.695566 Nb\n0.876992 0.376992 0.304434 Nb\n0.098358 0.401642 0.237760 Cl\n0.820665 0.899598 0.754891 Cl\n0.179335 0.100402 0.754891 Cl\n0.401642 0.901642 0.762240 Cl\n0.901642 0.598358 0.237760 Cl\n0.600402 0.679335 0.754891 Cl\n0.399598 0.320665 0.754891 Cl\n0.899598 0.179335 0.245109 Cl\n0.598358 0.098358 0.762240 Cl\n0.679335 0.399598 0.245109 Cl\n0.320665 0.600402 0.245109 Cl\n0.100402 0.820665 0.245109 Cl\n0.114818 0.614818 0.752347 O\n0.614818 0.885182 0.247653 O\n0.385182 0.114818 0.247653 O\n0.885182 0.385182 0.752347 O\n",
"nsites": 20,
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"volume": 529.2462251388408,
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"formula_full": "Nb4 Cl12 O4",
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"updated_at": "2021-11-28T01:34:55.734000Z",
"spacegroup": 113
},
{
"id": "mp-2545",
"created_at": "2022-09-04T14:48:27.659646Z",
"structure_string": "Yb1 Hg1\n1.0\n3.754500 0.000000 0.000000\n0.000000 3.754500 0.000000\n0.000000 0.000000 3.754500\nYb Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"formula_full": "Yb1 Hg1",
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"spacegroup": 221
},
{
"id": "mp-1189430",
"created_at": "2022-09-04T14:46:14.154570Z",
"structure_string": "Tl8 C2 O10\n1.0\n-5.099625 -6.227143 0.000000\n-5.099625 6.227143 0.000000\n0.000000 0.000000 -8.332919\nTl C O\n8 2 10\ndirect\n0.186408 0.329513 0.566221 Tl\n0.670487 0.813592 0.566221 Tl\n0.813592 0.670487 0.066221 Tl\n0.329513 0.186408 0.066221 Tl\n0.236550 0.763450 0.955257 Tl\n0.763450 0.236550 0.455257 Tl\n0.780706 0.219294 0.843102 Tl\n0.219294 0.780706 0.343102 Tl\n0.062606 0.937394 0.746558 C\n0.937394 0.062606 0.246558 C\n0.915909 0.400255 0.618054 O\n0.599745 0.084091 0.618054 O\n0.084091 0.599745 0.118054 O\n0.400255 0.915909 0.118054 O\n0.976355 0.023645 0.661798 O\n0.023645 0.976355 0.161798 O\n0.997385 0.781863 0.790968 O\n0.218137 0.002615 0.790968 O\n0.002615 0.218137 0.290968 O\n0.781863 0.997385 0.290968 O\n",
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],
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"formula_full": "Tl8 C2 O10",
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},
{
"id": "mp-559864",
"created_at": "2022-09-04T14:39:43.681713Z",
"structure_string": "In2 Sb4 S8 Br2\n1.0\n1.956400 10.329667 0.000000\n-1.956400 10.329667 0.000000\n0.000000 6.134084 10.475102\nIn Sb S Br\n2 4 8 2\ndirect\n0.336179 0.336179 0.433602 In\n0.663821 0.663821 0.566398 In\n0.706589 0.706589 0.905945 Sb\n0.048234 0.048234 0.215536 Sb\n0.951766 0.951766 0.784464 Sb\n0.293411 0.293411 0.094055 Sb\n0.319265 0.319265 0.869902 S\n0.896094 0.896094 0.022679 S\n0.788297 0.788297 0.350532 S\n0.465570 0.465570 0.214273 S\n0.211703 0.211703 0.649468 S\n0.534430 0.534430 0.785727 S\n0.680735 0.680735 0.130098 S\n0.103906 0.103906 0.977321 S\n0.102357 0.102357 0.472826 Br\n0.897643 0.897643 0.527174 Br\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.443736604734177,
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"formula_full": "In2 Sb4 S8 Br2",
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{
"id": "mp-1200080",
"created_at": "2022-09-04T14:39:08.306277Z",
"structure_string": "Pr6 Rh8 Pb26\n1.0\n10.190965 0.000000 0.000000\n0.000000 10.190965 0.000000\n0.000000 0.000000 10.190965\nPr Rh Pb\n6 8 26\ndirect\n0.000000 0.500000 0.750000 Pr\n0.500000 0.250000 0.000000 Pr\n0.750000 0.000000 0.500000 Pr\n0.000000 0.500000 0.250000 Pr\n0.500000 0.750000 0.000000 Pr\n0.250000 0.000000 0.500000 Pr\n0.750000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.806369 0.345025 0.500000 Pb\n0.654975 0.500000 0.806369 Pb\n0.500000 0.193631 0.654975 Pb\n0.193631 0.654975 0.500000 Pb\n0.345025 0.500000 0.193631 Pb\n0.500000 0.806369 0.345025 Pb\n0.806369 0.654975 0.500000 Pb\n0.654975 0.500000 0.193631 Pb\n0.193631 0.345025 0.500000 Pb\n0.345025 0.500000 0.806369 Pb\n0.500000 0.806369 0.654975 Pb\n0.500000 0.193631 0.345025 Pb\n0.306369 0.000000 0.845025 Pb\n0.154975 0.306369 0.000000 Pb\n0.000000 0.154975 0.693631 Pb\n0.693631 0.000000 0.154975 Pb\n0.845025 0.693631 0.000000 Pb\n0.000000 0.845025 0.306369 Pb\n0.306369 0.000000 0.154975 Pb\n0.154975 0.693631 0.000000 Pb\n0.693631 0.000000 0.845025 Pb\n0.845025 0.306369 0.000000 Pb\n0.000000 0.154975 0.306369 Pb\n0.000000 0.845025 0.693631 Pb\n",
"nsites": 40,
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"formula_full": "Pr6 Rh8 Pb26",
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{
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"created_at": "2022-09-04T14:48:16.640464Z",
"structure_string": "Na4 Cd4 Cu4 Se8\n1.0\n3.744368 0.000000 0.000000\n0.000000 8.030436 0.000000\n0.000000 0.000000 17.598955\nNa Cd Cu Se\n4 4 4 8\ndirect\n0.250000 0.144220 0.924187 Na\n0.250000 0.644220 0.575813 Na\n0.750000 0.855780 0.075813 Na\n0.750000 0.355780 0.424187 Na\n0.250000 0.117900 0.242477 Cd\n0.250000 0.617900 0.257523 Cd\n0.750000 0.882100 0.757523 Cd\n0.750000 0.382100 0.742477 Cd\n0.250000 0.632358 0.892730 Cu\n0.250000 0.132358 0.607270 Cu\n0.750000 0.367642 0.107270 Cu\n0.750000 0.867642 0.392730 Cu\n0.250000 0.152214 0.099379 Se\n0.250000 0.652214 0.400621 Se\n0.750000 0.847786 0.900621 Se\n0.750000 0.347786 0.599379 Se\n0.250000 0.577309 0.115684 Se\n0.250000 0.077309 0.384316 Se\n0.750000 0.422691 0.884316 Se\n0.750000 0.922691 0.615684 Se\n",
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{
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"structure_string": "K1 Tb1 S2\n1.0\n7.458054 -2.036758 0.000000\n7.458054 2.036758 0.000000\n6.901826 0.000000 3.483641\nK Tb S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tb\n0.734110 0.734110 0.734110 S\n0.265890 0.265890 0.265890 S\n",
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{
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"structure_string": "Cs2 Np2 Cu2 S6\n1.0\n2.010942 -7.740317 0.000000\n2.010942 7.740317 0.000000\n0.000000 0.000000 10.198872\nCs Np Cu S\n2 2 2 6\ndirect\n0.740411 0.259589 0.250000 Cs\n0.259589 0.740411 0.750000 Cs\n0.000000 0.000000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.465420 0.534580 0.250000 Cu\n0.534580 0.465420 0.750000 Cu\n0.387984 0.612016 0.442423 S\n0.051244 0.948756 0.250000 S\n0.387984 0.612016 0.057577 S\n0.612016 0.387984 0.942423 S\n0.948756 0.051244 0.750000 S\n0.612016 0.387984 0.557577 S\n",
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"energy": -77.96640562,
"energy_per_atom": -6.497200468333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.94840562,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.569000Z",
"spacegroup": 63
},
{
"id": "mp-540803",
"created_at": "2022-09-04T14:46:41.633186Z",
"structure_string": "Sr3 Li4 Sb4\n1.0\n-2.425884 3.772727 7.949379\n2.425884 -3.772727 7.949379\n2.425884 3.772727 -7.949379\nSr Li Sb\n3 4 4\ndirect\n0.629896 0.629896 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.370104 0.370104 0.000000 Sr\n0.983578 0.177277 0.806301 Li\n0.370976 0.177277 0.193699 Li\n0.629024 0.822723 0.806301 Li\n0.016422 0.822723 0.193699 Li\n0.786413 0.286413 0.500000 Sb\n0.213587 0.713587 0.500000 Sb\n0.308822 0.000000 0.308822 Sb\n0.691178 0.000000 0.691178 Sb\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Sb"
],
"chemical_system": "Li-Sb-Sr",
"density": 4.437337760559527,
"density_atomic": 0.03779845777004725,
"volume": 291.01716442824727,
"volume_molar": 15.932239343299726,
"formula_full": "Sr3 Li4 Sb4",
"formula_reduced": "Sr3(LiSb)4",
"formula_anonymous": "A3B4C4",
"energy": -39.58347441,
"energy_per_atom": -3.5984976736363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.81547441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002794,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.223000Z",
"spacegroup": 71
}
]
}