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{
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"results": [
{
"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",
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{
"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",
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"elements": [
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],
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"density": 1.8947015512297376,
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"volume": 557.1065916650086,
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"formula_full": "Cs2 K2 Mg12",
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"updated_at": "2021-11-28T01:36:50.527000Z",
"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,
"energy_per_atom": -1.2125123811111111,
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"total_magnetization": 3.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.285000Z",
"spacegroup": 155
},
{
"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,
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"updated_at": "2021-11-28T01:34:33.217000Z",
"spacegroup": 38
},
{
"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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"Cd",
"Au"
],
"chemical_system": "Au-Ca-Cd",
"density": 0.44062223311839893,
"density_atomic": 0.002724786074333451,
"volume": 1468.0051537545005,
"volume_molar": 221.0133418078761,
"formula_full": "Ca2 Cd1 Au1",
"formula_reduced": "Ca2CdAu",
"formula_anonymous": "ABC2",
"energy": -4.84864762,
"energy_per_atom": -1.212161905,
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"updated_at": "2021-11-28T01:36:35.994000Z",
"spacegroup": 71
},
{
"id": "mp-1038882",
"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": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.193081793843813,
"density_atomic": 0.044911563556269664,
"volume": 133.59588321797358,
"volume_molar": 13.408886894919311,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -7.27214646,
"energy_per_atom": -1.21202441,
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"updated_at": "2021-11-28T01:35:28.711000Z",
"spacegroup": 63
},
{
"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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"elements": [
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"Cd",
"Ni"
],
"chemical_system": "Cd-Li-Ni",
"density": 0.46001152414694996,
"density_atomic": 0.003815036130162615,
"volume": 1048.482861898742,
"volume_molar": 157.85278447004663,
"formula_full": "Li1 Cd2 Ni1",
"formula_reduced": "LiCd2Ni",
"formula_anonymous": "ABC2",
"energy": -4.84589965,
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"updated_at": "2021-11-28T01:34:53.879000Z",
"spacegroup": 71
},
{
"id": "mp-1095809",
"created_at": "2022-09-04T14:39:15.909459Z",
"structure_string": "Cs2 Rb1 Sb1\n1.0\n-7.860907 8.436551 11.089609\n7.860907 -8.436551 11.089609\n7.860907 8.436551 -11.089609\nCs Rb Sb\n2 1 1\ndirect\n0.287499 0.000000 0.287499 Cs\n0.712501 0.000000 0.712501 Cs\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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"Rb",
"Sb"
],
"chemical_system": "Cs-Rb-Sb",
"density": 0.2670127216923517,
"density_atomic": 0.001359709624079799,
"volume": 2941.8045803029827,
"volume_molar": 442.8990317749321,
"formula_full": "Cs2 Rb1 Sb1",
"formula_reduced": "Cs2RbSb",
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"energy": -4.84472752,
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"updated_at": "2021-11-28T01:34:35.920000Z",
"spacegroup": 71
},
{
"id": "mp-1245184",
"created_at": "2022-09-04T14:42:04.342870Z",
"structure_string": "Zn100\n1.0\n11.791916 -0.590491 0.336102\n-0.574888 11.777260 -0.117554\n0.316093 -0.102528 11.574528\nZn\n100\ndirect\n0.051886 0.581296 0.492227 Zn\n0.300362 0.150346 0.167680 Zn\n0.918463 0.158247 0.362569 Zn\n0.299956 0.744170 0.255131 Zn\n0.239810 0.212089 0.578156 Zn\n0.439373 0.887671 0.668382 Zn\n0.719489 0.942140 0.164297 Zn\n0.198241 0.199390 0.803565 Zn\n0.279720 0.281848 0.994473 Zn\n0.602667 0.815108 0.524177 Zn\n0.584162 0.412190 0.367378 Zn\n0.467484 0.299634 0.207811 Zn\n0.141251 0.653685 0.881779 Zn\n0.082285 0.077066 0.225511 Zn\n0.609490 0.214037 0.933504 Zn\n0.786144 0.723961 0.623471 Zn\n0.052033 0.289380 0.960145 Zn\n0.195883 0.990116 0.044551 Zn\n0.266118 0.961275 0.302818 Zn\n0.741005 0.546245 0.265294 Zn\n0.777344 0.263861 0.530807 Zn\n0.569099 0.634638 0.961527 Zn\n0.189298 0.472189 0.021024 Zn\n0.071258 0.792514 0.032093 Zn\n0.199872 0.815988 0.679762 Zn\n0.910323 0.379986 0.721768 Zn\n0.917956 0.208379 0.134742 Zn\n0.593737 0.747089 0.743159 Zn\n0.131958 0.435066 0.804523 Zn\n0.311119 0.412289 0.671950 Zn\n0.629542 0.586866 0.514219 Zn\n0.693514 0.165071 0.150583 Zn\n0.978851 0.107355 0.836384 Zn\n0.084241 0.917936 0.854107 Zn\n0.953693 0.374859 0.429451 Zn\n0.128121 0.463089 0.309332 Zn\n0.754529 0.609868 0.814114 Zn\n0.413479 0.466062 0.985797 Zn\n0.638421 0.721162 0.157697 Zn\n0.779179 0.315965 0.298913 Zn\n0.832366 0.293874 0.933246 Zn\n0.379678 0.793821 0.466739 Zn\n0.504269 0.380726 0.579847 Zn\n0.794532 0.588188 0.039018 Zn\n0.163022 0.788464 0.451556 Zn\n0.786884 0.062576 0.963205 Zn\n0.942342 0.444826 0.157024 Zn\n0.138388 0.244681 0.387736 Zn\n0.389226 0.109726 0.947682 Zn\n0.270589 0.588647 0.430143 Zn\n0.199888 0.597699 0.653541 Zn\n0.975389 0.612397 0.712818 Zn\n0.478599 0.830327 0.924049 Zn\n0.490900 0.000843 0.457794 Zn\n0.686657 0.373622 0.101621 Zn\n0.496542 0.633891 0.344536 Zn\n0.355296 0.162453 0.389270 Zn\n0.075733 0.825388 0.251317 Zn\n0.970223 0.001836 0.047393 Zn\n0.865174 0.788505 0.129869 Zn\n0.943882 0.629069 0.291071 Zn\n0.907772 0.757522 0.892863 Zn\n0.342569 0.383996 0.417977 Zn\n0.123280 0.627807 0.153669 Zn\n0.423345 0.615608 0.588280 Zn\n0.326809 0.521798 0.209700 Zn\n0.527033 0.855527 0.289567 Zn\n0.497315 0.073602 0.237449 Zn\n0.893327 0.941266 0.298636 Zn\n0.744236 0.760475 0.358349 Zn\n0.698687 0.835184 0.958095 Zn\n0.709338 0.447000 0.662641 Zn\n0.570378 0.020496 0.806626 Zn\n0.320933 0.682687 0.030284 Zn\n0.979256 0.189086 0.588412 Zn\n0.790842 0.931739 0.766041 Zn\n0.278064 0.984276 0.534954 Zn\n0.646686 0.423840 0.887188 Zn\n0.836537 0.543156 0.494445 Zn\n0.403618 0.114087 0.681271 Zn\n0.495371 0.524467 0.769456 Zn\n0.071581 0.007223 0.443296 Zn\n0.109404 0.385634 0.587396 Zn\n0.303239 0.925926 0.848662 Zn\n0.946518 0.775824 0.458835 Zn\n0.797438 0.164693 0.743630 Zn\n0.606452 0.235585 0.693936 Zn\n0.431188 0.302116 0.819540 Zn\n0.541019 0.512275 0.160083 Zn\n0.975506 0.841306 0.677446 Zn\n0.576265 0.210092 0.449333 Zn\n0.379903 0.899372 0.112553 Zn\n0.664173 0.035905 0.598961 Zn\n0.849456 0.954569 0.534328 Zn\n0.564135 0.015749 0.030800 Zn\n0.707601 0.046537 0.367558 Zn\n0.350357 0.693055 0.798691 Zn\n0.135404 0.294960 0.170234 Zn\n0.105289 0.038112 0.664844 Zn\n0.958485 0.501857 0.926945 Zn\n",
"nsites": 100,
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"elements": [
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"density": 6.779283164252495,
"density_atomic": 0.06241617740851449,
"volume": 1602.1487401495133,
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"formula_full": "Zn100",
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"updated_at": "2021-11-28T01:35:40.300000Z",
"spacegroup": 1
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{
"id": "mp-1186058",
"created_at": "2022-09-04T14:40:13.186847Z",
"structure_string": "Na6 Hg2\n1.0\n3.540917 -6.133048 0.000000\n3.540917 6.133048 0.000000\n0.000000 0.000000 5.471790\nNa Hg\n6 2\ndirect\n0.173052 0.346104 0.250000 Na\n0.653896 0.826948 0.250000 Na\n0.173052 0.826948 0.250000 Na\n0.826948 0.653896 0.750000 Na\n0.346104 0.173052 0.750000 Na\n0.826948 0.173052 0.750000 Na\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
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"elements": [
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],
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"volume": 237.6575018175266,
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"formula_full": "Na6 Hg2",
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"spacegroup": 194
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{
"id": "mp-1016226",
"created_at": "2022-09-04T14:46:01.502593Z",
"structure_string": "Rb1 Mg3\n1.0\n3.332475 0.000000 0.000000\n0.000000 5.219822 0.000000\n0.000000 0.000000 7.971050\nRb Mg\n1 3\ndirect\n0.000000 0.000000 0.133379 Rb\n0.500000 0.000000 0.653062 Mg\n0.500000 0.500000 0.439873 Mg\n0.000000 0.500000 0.773686 Mg\n",
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"spacegroup": 25
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{
"id": "mp-1093897",
"created_at": "2022-09-04T14:46:24.156179Z",
"structure_string": "Li2 La1 Al1\n1.0\n-10.335142 0.000000 -5.966996\n-10.496666 -0.027233 6.246765\n-6.931098 10.057715 0.071021\nLi La Al\n2 1 1\ndirect\n0.766174 1.000000 0.000000 Li\n0.233826 0.000000 1.000000 Li\n0.500000 0.000000 -0.000000 La\n0.000000 0.000000 -0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Al"
],
"chemical_system": "Al-La-Li",
"density": 0.23313441148492428,
"density_atomic": 0.003123938332599017,
"volume": 1280.4350067538394,
"volume_molar": 192.77399611757932,
"formula_full": "Li2 La1 Al1",
"formula_reduced": "Li2LaAl",
"formula_anonymous": "ABC2",
"energy": -4.835912,
"energy_per_atom": -1.208978,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.835912,
"band_gap": 0.1551,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.087997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.085000Z",
"spacegroup": 71
}
]
}