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{
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"results": [
{
"id": "mp-1096139",
"created_at": "2022-09-04T14:40:24.465083Z",
"structure_string": "Li1 Cd2 Ni1\n1.0\n-5.375194 5.915680 8.243327\n5.375194 -5.915680 8.243327\n5.375194 5.915680 -8.243327\nLi Cd Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257434 0.257434 Cd\n0.000000 0.742566 0.742566 Cd\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 4,
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],
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"density": 0.46001152414694996,
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"volume": 1048.482861898742,
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"formula_full": "Li1 Cd2 Ni1",
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{
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"created_at": "2022-09-04T14:41:51.667612Z",
"structure_string": "Mg2 Cd4\n1.0\n1.608388 -8.025904 0.000000\n1.608388 8.025904 0.000000\n0.000000 0.000000 5.174618\nMg Cd\n2 4\ndirect\n0.279081 0.720919 0.250000 Mg\n0.720919 0.279081 0.750000 Mg\n0.615284 0.384716 0.250000 Cd\n0.945249 0.054751 0.250000 Cd\n0.054751 0.945249 0.750000 Cd\n0.384716 0.615284 0.750000 Cd\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Cd-Mg",
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"updated_at": "2021-11-28T01:35:28.711000Z",
"spacegroup": 63
},
{
"id": "mp-1096182",
"created_at": "2022-09-04T14:44:19.181488Z",
"structure_string": "Ca2 Cd1 Au1\n1.0\n-6.292015 6.416382 9.090497\n6.292015 -6.416382 9.090497\n6.292015 6.416382 -9.090497\nCa Cd Au\n2 1 1\ndirect\n0.000000 0.269421 0.269421 Ca\n0.000000 0.730579 0.730579 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Ca-Cd",
"density": 0.44062223311839893,
"density_atomic": 0.002724786074333451,
"volume": 1468.0051537545005,
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"formula_full": "Ca2 Cd1 Au1",
"formula_reduced": "Ca2CdAu",
"formula_anonymous": "ABC2",
"energy": -4.84864762,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:35.994000Z",
"spacegroup": 71
},
{
"id": "mp-1022718",
"created_at": "2022-09-04T14:39:46.283928Z",
"structure_string": "Cs1 Mg6 Zn1\n1.0\n4.279953 -6.744467 0.000000\n4.279953 6.744467 0.000000\n0.000000 0.000000 4.226498\nCs Mg Zn\n1 6 1\ndirect\n0.150891 0.849109 0.000000 Cs\n0.727792 0.619558 0.500000 Mg\n0.380442 0.272208 0.500000 Mg\n0.883009 0.116991 0.500000 Mg\n0.608038 0.826204 0.000000 Mg\n0.173796 0.391962 0.000000 Mg\n0.697253 0.302747 0.000000 Mg\n0.378391 0.621609 0.500000 Zn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Zn"
],
"chemical_system": "Cs-Mg-Zn",
"density": 2.34203064042671,
"density_atomic": 0.032786321227354705,
"volume": 244.00419749823405,
"volume_molar": 18.367845292065066,
"formula_full": "Cs1 Mg6 Zn1",
"formula_reduced": "CsMg6Zn",
"formula_anonymous": "ABC6",
"energy": -9.69757483,
"energy_per_atom": -1.21219685375,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:34:33.217000Z",
"spacegroup": 38
},
{
"id": "mp-1038785",
"created_at": "2022-09-04T14:41:36.952024Z",
"structure_string": "Mg6 Cd12\n1.0\n5.417598 0.000000 0.000000\n-2.708799 4.691777 0.000000\n0.000000 0.000000 15.719780\nMg Cd\n6 12\ndirect\n0.000000 0.000000 0.166927 Mg\n0.666667 0.333333 0.166407 Mg\n0.666667 0.333333 0.500260 Mg\n0.333333 0.666667 0.499740 Mg\n0.333333 0.666667 0.833593 Mg\n0.000000 0.000000 0.833073 Mg\n0.666405 0.666405 0.000000 Cd\n0.000000 0.333595 0.000000 Cd\n0.333333 0.666667 0.166667 Cd\n0.333595 0.000000 0.000000 Cd\n0.333071 0.999738 0.333333 Cd\n0.666667 0.666929 0.333333 Cd\n0.000000 0.000000 0.500000 Cd\n0.000262 0.333333 0.333333 Cd\n0.999738 0.333071 0.666667 Cd\n0.333333 0.000262 0.666667 Cd\n0.666667 0.333333 0.833333 Cd\n0.666929 0.666667 0.666667 Cd\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.211987087575534,
"density_atomic": 0.04504866271453141,
"volume": 399.5679097971029,
"volume_molar": 13.36807886653965,
"formula_full": "Mg6 Cd12",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -21.82522286,
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"updated_at": "2021-11-28T01:35:31.285000Z",
"spacegroup": 155
},
{
"id": "mp-1021496",
"created_at": "2022-09-04T14:45:12.106797Z",
"structure_string": "Cs2 K2 Mg12\n1.0\n5.126585 0.000000 0.000000\n0.000000 6.671007 0.000000\n0.000000 0.000000 16.289912\nCs K Mg\n2 2 12\ndirect\n0.000000 0.500000 0.313233 Cs\n0.000000 0.000000 0.813233 Cs\n0.000000 0.000000 0.321784 K\n0.000000 0.500000 0.821784 K\n0.000000 0.751567 0.077721 Mg\n0.000000 0.248433 0.077721 Mg\n0.500000 0.248255 0.469647 Mg\n0.500000 0.751745 0.469647 Mg\n0.500000 0.000000 0.138146 Mg\n0.500000 0.500000 0.130293 Mg\n0.000000 0.251567 0.577721 Mg\n0.000000 0.748433 0.577721 Mg\n0.500000 0.748255 0.969647 Mg\n0.500000 0.251745 0.969647 Mg\n0.500000 0.500000 0.638146 Mg\n0.500000 0.000000 0.630293 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"K",
"Mg"
],
"chemical_system": "Cs-K-Mg",
"density": 1.8947015512297376,
"density_atomic": 0.028719818145000322,
"volume": 557.1065916650086,
"volume_molar": 20.968589458315776,
"formula_full": "Cs2 K2 Mg12",
"formula_reduced": "CsKMg6",
"formula_anonymous": "ABC6",
"energy": -19.40646717,
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"updated_at": "2021-11-28T01:36:50.527000Z",
"spacegroup": 38
},
{
"id": "mp-1186892",
"created_at": "2022-09-04T14:42:54.570482Z",
"structure_string": "Rb2 Mg4\n1.0\n1.922503 -13.625189 0.000000\n1.922503 13.625189 0.000000\n0.000000 0.000000 4.832347\nRb Mg\n2 4\ndirect\n0.327153 0.672847 0.750000 Rb\n0.672847 0.327153 0.250000 Rb\n0.548776 0.451224 0.750000 Mg\n0.957499 0.042501 0.750000 Mg\n0.042501 0.957499 0.250000 Mg\n0.451224 0.548776 0.250000 Mg\n",
"nsites": 6,
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"elements": [
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"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.7588884573463086,
"density_atomic": 0.023700285673554883,
"volume": 253.1615054199488,
"volume_molar": 25.409570344207246,
"formula_full": "Rb2 Mg4",
"formula_reduced": "RbMg2",
"formula_anonymous": "AB2",
"energy": -7.27777363,
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"updated_at": "2021-11-28T01:36:01.177000Z",
"spacegroup": 63
},
{
"id": "mp-1094694",
"created_at": "2022-09-04T14:46:51.915629Z",
"structure_string": "Mg2 Cd4\n1.0\n2.626726 4.784368 0.000000\n-2.626726 4.784368 0.000000\n0.000000 3.460233 5.255242\nMg Cd\n2 4\ndirect\n0.083790 0.916210 0.250000 Mg\n0.916210 0.083790 0.750000 Mg\n0.247683 0.419891 0.743686 Cd\n0.580109 0.752317 0.756314 Cd\n0.419891 0.247683 0.243686 Cd\n0.752317 0.580109 0.256314 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-Mg",
"density": 6.26379918742398,
"density_atomic": 0.04542439849403304,
"volume": 132.08760487578414,
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"formula_full": "Mg2 Cd4",
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"energy": -7.2833059,
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"updated_at": "2021-11-28T01:37:38.846000Z",
"spacegroup": 15
},
{
"id": "mp-1217591",
"created_at": "2022-09-04T14:39:44.012271Z",
"structure_string": "Yb12 Cd72\n1.0\n-7.894540 7.932794 8.006832\n7.894540 -7.932794 8.006832\n7.894540 7.932794 -8.006832\nYb Cd\n12 72\ndirect\n0.811778 0.517326 0.705548 Yb\n0.188222 0.482674 0.294452 Yb\n0.188222 0.893771 0.705548 Yb\n0.811778 0.106229 0.294452 Yb\n0.113031 0.303581 0.809450 Yb\n0.886969 0.696419 0.190550 Yb\n0.494131 0.303581 0.190550 Yb\n0.505869 0.696419 0.809450 Yb\n0.300000 0.189205 0.489205 Yb\n0.700000 0.810795 0.510795 Yb\n0.300000 0.810795 0.110795 Yb\n0.700000 0.189205 0.889205 Yb\n0.500000 0.313998 0.813998 Cd\n0.500000 0.686002 0.186002 Cd\n0.690472 0.190472 0.500000 Cd\n0.309528 0.809528 0.500000 Cd\n0.184982 0.500000 0.684982 Cd\n0.815018 0.500000 0.315018 Cd\n0.737447 0.640672 0.903225 Cd\n0.262553 0.359328 0.096775 Cd\n0.262553 0.165778 0.903225 Cd\n0.737447 0.834222 0.096775 Cd\n0.860690 0.093123 0.767566 Cd\n0.139310 0.906877 0.232434 Cd\n0.325557 0.093123 0.232434 Cd\n0.674443 0.906877 0.767566 Cd\n0.097835 0.240864 0.338699 Cd\n0.902165 0.759136 0.661301 Cd\n0.097835 0.759136 0.856971 Cd\n0.902165 0.240864 0.143029 Cd\n0.777580 0.452087 0.919292 Cd\n0.467206 0.547913 0.325493 Cd\n0.222420 0.141713 0.674507 Cd\n0.532794 0.858287 0.080708 Cd\n0.857922 0.083303 0.541058 Cd\n0.142078 0.683137 0.225382 Cd\n0.542245 0.316863 0.458942 Cd\n0.457755 0.916697 0.774618 Cd\n0.316058 0.459903 0.542393 Cd\n0.917510 0.773666 0.457607 Cd\n0.082490 0.540097 0.856155 Cd\n0.683942 0.226334 0.143845 Cd\n0.222420 0.547913 0.080708 Cd\n0.532794 0.452087 0.674507 Cd\n0.777580 0.858287 0.325493 Cd\n0.467206 0.141713 0.919292 Cd\n0.142078 0.916697 0.458942 Cd\n0.857922 0.316863 0.774618 Cd\n0.457755 0.683137 0.541058 Cd\n0.542245 0.083303 0.225382 Cd\n0.683942 0.540097 0.457607 Cd\n0.082490 0.226334 0.542393 Cd\n0.917510 0.459903 0.143845 Cd\n0.316058 0.773666 0.856155 Cd\n0.594742 0.250003 0.655261 Cd\n0.405258 0.749997 0.344739 Cd\n0.405258 0.060519 0.655261 Cd\n0.594742 0.939481 0.344739 Cd\n0.940968 0.345054 0.595914 Cd\n0.059032 0.654946 0.404086 Cd\n0.749140 0.345054 0.404086 Cd\n0.250860 0.654946 0.595914 Cd\n0.342199 0.403007 0.745206 Cd\n0.657801 0.596993 0.254794 Cd\n0.342199 0.596993 0.939192 Cd\n0.657801 0.403007 0.060808 Cd\n0.997371 0.673460 0.001131 Cd\n0.327671 0.326540 0.323911 Cd\n0.002629 0.003760 0.676089 Cd\n0.672329 0.996240 0.998869 Cd\n0.002629 0.326540 0.998869 Cd\n0.672329 0.673460 0.676089 Cd\n0.997371 0.996240 0.323911 Cd\n0.327671 0.003760 0.001131 Cd\n0.588124 0.588124 0.000000 Cd\n0.411876 0.411876 0.000000 Cd\n0.597829 0.000000 0.597829 Cd\n0.402171 0.000000 0.402171 Cd\n0.000000 0.402956 0.402956 Cd\n0.000000 0.597044 0.597044 Cd\n0.912561 0.821060 0.908499 Cd\n0.087439 0.178940 0.091501 Cd\n0.087439 0.995938 0.908499 Cd\n0.912561 0.004062 0.091501 Cd\n",
"nsites": 84,
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"elements": [
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],
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"density": 8.41975416347849,
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"volume": 2005.735742189159,
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"formula_full": "Yb12 Cd72",
"formula_reduced": "YbCd6",
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"energy": -102.05977883,
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"updated_at": "2021-11-28T01:34:37.614000Z",
"spacegroup": 71
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{
"id": "mp-1248765",
"created_at": "2022-09-04T14:45:29.851996Z",
"structure_string": "Li2 La1 Al1\n1.0\n-10.418208 0.035657 -5.956726\n-10.191313 0.001509 5.555991\n-6.889595 9.340175 -0.162750\nLi La Al\n2 1 1\ndirect\n0.769092 0.003596 0.003596 Li\n0.230908 0.996404 0.996404 Li\n0.500000 -0.000000 -0.000000 La\n0.000000 -0.000000 -0.000000 Al\n",
"nsites": 4,
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"elements": [
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"La",
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],
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"density": 0.26986194466553454,
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"volume": 1106.1710168665218,
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"formula_full": "Li2 La1 Al1",
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"updated_at": "2021-11-28T01:36:58.034000Z",
"spacegroup": 12
},
{
"id": "mp-1095772",
"created_at": "2022-09-04T14:47:23.746633Z",
"structure_string": "Li2 Tl1 In1\n1.0\n-5.813652 5.937374 8.314122\n5.813652 -5.937374 8.314122\n5.813652 5.937374 -8.314122\nLi Tl In\n2 1 1\ndirect\n0.000000 0.249556 0.249556 Li\n0.000000 0.750444 0.750444 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"updated_at": "2021-11-28T01:38:09.679000Z",
"spacegroup": 71
},
{
"id": "mp-1016264",
"created_at": "2022-09-04T14:47:22.558514Z",
"structure_string": "Cs1 Mg7\n1.0\n3.507720 -6.075549 0.000000\n3.507720 6.075549 0.000000\n0.000000 0.000000 5.445853\nCs Mg\n1 7\ndirect\n0.000000 0.000000 0.000000 Cs\n0.007307 0.503653 0.000000 Mg\n0.496347 0.503653 0.000000 Mg\n0.496347 0.992693 0.000000 Mg\n0.183957 0.367914 0.500000 Mg\n0.183957 0.816043 0.500000 Mg\n0.632086 0.816043 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n",
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"formula_full": "Cs1 Mg7",
"formula_reduced": "CsMg7",
"formula_anonymous": "AB7",
"energy": -9.73371838,
"energy_per_atom": -1.2167147975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.73371838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.622000Z",
"spacegroup": 187
}
]
}