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{
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"results": [
{
"id": "mp-1183398",
"created_at": "2022-09-04T14:41:49.773235Z",
"structure_string": "Ba1 Yb3\n1.0\n5.699380 0.000000 0.000000\n0.000000 5.699380 0.000000\n0.000000 0.000000 5.699380\nBa Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
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"formula_full": "Ba1 Yb3",
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},
{
"id": "mp-1094300",
"created_at": "2022-09-04T14:41:21.924411Z",
"structure_string": "Sr2 Mg4\n1.0\n1.788718 6.292557 0.000000\n-1.788718 6.292557 0.000000\n0.000000 3.079529 8.448919\nSr Mg\n2 4\ndirect\n0.844893 0.844893 0.625342 Sr\n0.155107 0.155107 0.374658 Sr\n0.145019 0.145019 0.977931 Mg\n0.541804 0.541804 0.767453 Mg\n0.458196 0.458196 0.232547 Mg\n0.854981 0.854981 0.022069 Mg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Sr",
"density": 2.3787657235805106,
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"formula_full": "Sr2 Mg4",
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"updated_at": "2021-11-28T01:35:21.133000Z",
"spacegroup": 12
},
{
"id": "mp-1078",
"created_at": "2022-09-04T14:46:27.523564Z",
"structure_string": "Ca4 Cd8\n1.0\n3.052986 -5.287927 0.000000\n3.052986 5.287927 0.000000\n0.000000 0.000000 9.630039\nCa Cd\n4 8\ndirect\n0.333333 0.666667 0.060248 Ca\n0.666667 0.333333 0.560248 Ca\n0.666667 0.333333 0.939752 Ca\n0.333333 0.666667 0.439752 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.341701 0.170850 0.250000 Cd\n0.170850 0.341701 0.750000 Cd\n0.170850 0.829150 0.750000 Cd\n0.829150 0.170850 0.250000 Cd\n0.829150 0.658299 0.250000 Cd\n0.658299 0.829150 0.750000 Cd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
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],
"chemical_system": "Ca-Cd",
"density": 5.658779110325879,
"density_atomic": 0.03859339110295202,
"volume": 310.9340655758575,
"volume_molar": 15.604072583140704,
"formula_full": "Ca4 Cd8",
"formula_reduced": "CaCd2",
"formula_anonymous": "AB2",
"energy": -19.22397405,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:39.909000Z",
"spacegroup": 194
},
{
"id": "mp-1026803",
"created_at": "2022-09-04T14:39:14.501341Z",
"structure_string": "Li1 Mg14 Cd1\n1.0\n6.369216 -0.003977 0.000000\n-3.188053 5.521868 0.000000\n0.000000 0.000000 10.298378\nLi Mg Cd\n1 14 1\ndirect\n0.165245 0.332622 0.125000 Li\n0.167188 0.333593 0.625000 Mg\n0.168874 0.834437 0.625000 Mg\n0.668407 0.331466 0.125000 Mg\n0.666656 0.332901 0.625000 Mg\n0.668407 0.836940 0.125000 Mg\n0.666656 0.833755 0.625000 Mg\n0.330734 0.165879 0.371571 Mg\n0.330734 0.165879 0.878428 Mg\n0.330734 0.664856 0.371571 Mg\n0.330734 0.664856 0.878428 Mg\n0.833772 0.166887 0.375587 Mg\n0.833772 0.166887 0.874413 Mg\n0.834961 0.667481 0.373309 Mg\n0.834961 0.667481 0.876691 Mg\n0.168166 0.834082 0.125000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 2.1079760481841556,
"density_atomic": 0.04419119532227957,
"volume": 362.06307349947133,
"volume_molar": 13.627467453825265,
"formula_full": "Li1 Mg14 Cd1",
"formula_reduced": "LiMg14Cd",
"formula_anonymous": "ABC14",
"energy": -25.63438405,
"energy_per_atom": -1.602149003125,
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"updated_at": "2021-11-28T01:34:35.299000Z",
"spacegroup": 38
},
{
"id": "mp-1028353",
"created_at": "2022-09-04T14:39:09.827359Z",
"structure_string": "Cs1 Mg14 Ni1\n1.0\n6.438118 -0.000000 0.000000\n-3.219059 5.575573 0.000000\n0.000000 -0.000000 10.638445\nCs Mg Ni\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Cs\n0.154133 0.827066 0.125000 Mg\n0.173468 0.836734 0.625000 Mg\n0.672934 0.345867 0.125000 Mg\n0.663266 0.326532 0.625000 Mg\n0.672934 0.827066 0.125000 Mg\n0.663266 0.836734 0.625000 Mg\n0.331389 0.168611 0.341940 Mg\n0.331389 0.168611 0.908060 Mg\n0.331389 0.662778 0.341940 Mg\n0.331389 0.662778 0.908060 Mg\n0.837222 0.168611 0.341940 Mg\n0.837222 0.168611 0.908060 Mg\n0.833333 0.666667 0.384786 Mg\n0.833333 0.666667 0.865214 Mg\n0.166667 0.333333 0.125000 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Ni"
],
"chemical_system": "Cs-Mg-Ni",
"density": 2.3127413399980234,
"density_atomic": 0.04189800954426514,
"volume": 381.8797163406066,
"volume_molar": 14.37333378245003,
"formula_full": "Cs1 Mg14 Ni1",
"formula_reduced": "CsMg14Ni",
"formula_anonymous": "ABC14",
"energy": -25.63900165,
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"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.757000Z",
"spacegroup": 187
},
{
"id": "mp-1023160",
"created_at": "2022-09-04T14:40:55.944511Z",
"structure_string": "Sr2 Ca2 Mg12\n1.0\n5.424097 0.000000 0.000000\n0.000000 7.135259 0.000000\n0.000000 0.000000 11.879540\nSr Ca Mg\n2 2 12\ndirect\n0.500000 0.500000 0.835253 Sr\n0.500000 0.000000 0.335253 Sr\n0.500000 0.500000 0.335890 Ca\n0.500000 0.000000 0.835890 Ca\n0.500000 0.248166 0.080963 Mg\n0.500000 0.751834 0.080963 Mg\n0.000000 0.243502 0.926000 Mg\n0.000000 0.756498 0.926000 Mg\n0.000000 0.500000 0.159530 Mg\n0.000000 0.500000 0.655403 Mg\n0.500000 0.748166 0.580963 Mg\n0.500000 0.251834 0.580963 Mg\n0.000000 0.743502 0.426000 Mg\n0.000000 0.256498 0.426000 Mg\n0.000000 0.000000 0.659530 Mg\n0.000000 0.000000 0.155403 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Sr",
"density": 1.9758049511951745,
"density_atomic": 0.034800314511170084,
"volume": 459.7659597261506,
"volume_molar": 17.304845788296063,
"formula_full": "Sr2 Ca2 Mg12",
"formula_reduced": "SrCaMg6",
"formula_anonymous": "ABC6",
"energy": -25.64079241,
"energy_per_atom": -1.602549525625,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.264000Z",
"spacegroup": 38
},
{
"id": "mp-1027838",
"created_at": "2022-09-04T14:41:35.799780Z",
"structure_string": "K1 Mg14 Cu1\n1.0\n6.453416 0.014321 0.000000\n-3.214305 5.567339 0.000000\n0.000000 0.000000 10.458031\nK Mg Cu\n1 14 1\ndirect\n0.167019 0.833509 0.125000 K\n0.164114 0.332057 0.625000 Mg\n0.167442 0.833720 0.625000 Mg\n0.663545 0.340613 0.125000 Mg\n0.665292 0.329436 0.625000 Mg\n0.663545 0.822931 0.125000 Mg\n0.665292 0.835855 0.625000 Mg\n0.335368 0.177469 0.382065 Mg\n0.335368 0.177469 0.867935 Mg\n0.335368 0.657901 0.382065 Mg\n0.335368 0.657901 0.867935 Mg\n0.841718 0.170860 0.362024 Mg\n0.841718 0.170860 0.887976 Mg\n0.826110 0.663056 0.389642 Mg\n0.826110 0.663056 0.860358 Mg\n0.166621 0.333310 0.125000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"Cu"
],
"chemical_system": "Cu-K-Mg",
"density": 1.9549041871588293,
"density_atomic": 0.04252816652414159,
"volume": 376.2212507072794,
"volume_molar": 14.160358304140539,
"formula_full": "K1 Mg14 Cu1",
"formula_reduced": "KMg14Cu",
"formula_anonymous": "ABC14",
"energy": -25.64823915,
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"updated_at": "2021-11-28T01:35:28.492000Z",
"spacegroup": 38
},
{
"id": "mp-1026664",
"created_at": "2022-09-04T14:39:23.467399Z",
"structure_string": "Rb1 Mg14 B1\n1.0\n6.680540 0.211401 0.000000\n-3.157191 5.468415 0.000000\n0.000000 0.000000 10.299426\nRb Mg B\n1 14 1\ndirect\n0.104965 0.302482 0.125000 Rb\n0.171749 0.335874 0.625000 Mg\n0.156993 0.828496 0.625000 Mg\n0.608797 0.302042 0.125000 Mg\n0.658314 0.335419 0.625000 Mg\n0.608797 0.806754 0.125000 Mg\n0.658314 0.822894 0.625000 Mg\n0.341391 0.158098 0.377278 Mg\n0.341391 0.158098 0.872722 Mg\n0.341391 0.683293 0.377278 Mg\n0.341391 0.683293 0.872722 Mg\n0.818993 0.159497 0.397120 Mg\n0.818993 0.159497 0.852880 Mg\n0.858852 0.679427 0.348228 Mg\n0.858852 0.679427 0.901772 Mg\n0.310820 0.905409 0.125000 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"B"
],
"chemical_system": "B-Mg-Rb",
"density": 1.8920515172449044,
"density_atomic": 0.04176101481789152,
"volume": 383.1324518757906,
"volume_molar": 14.420484718249606,
"formula_full": "Rb1 Mg14 B1",
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"energy": -25.64915904,
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"updated_at": "2021-11-28T01:34:41.394000Z",
"spacegroup": 38
},
{
"id": "mp-1197639",
"created_at": "2022-09-04T14:46:17.594442Z",
"structure_string": "Sm2 Cd40 Ni4\n1.0\n0.000000 7.881918 7.881918\n7.881918 0.000000 7.881918\n7.881918 7.881918 0.000000\nSm Cd Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Sm\n0.750000 0.750000 0.750000 Sm\n0.568765 0.301196 0.301196 Cd\n0.301196 0.568765 0.828844 Cd\n0.301196 0.828844 0.568765 Cd\n0.828844 0.301196 0.301196 Cd\n0.301196 0.301196 0.568765 Cd\n0.568765 0.828844 0.301196 Cd\n0.828844 0.568765 0.301196 Cd\n0.301196 0.301196 0.828844 Cd\n0.301196 0.568765 0.301196 Cd\n0.828844 0.301196 0.568765 Cd\n0.568765 0.301196 0.828844 Cd\n0.301196 0.828844 0.301196 Cd\n0.681235 0.948804 0.948804 Cd\n0.948804 0.681235 0.421156 Cd\n0.948804 0.421156 0.681235 Cd\n0.421156 0.948804 0.948804 Cd\n0.948804 0.948804 0.681235 Cd\n0.681235 0.421156 0.948804 Cd\n0.421156 0.681235 0.948804 Cd\n0.948804 0.948804 0.421156 Cd\n0.948804 0.681235 0.948804 Cd\n0.421156 0.948804 0.681235 Cd\n0.681235 0.948804 0.421156 Cd\n0.948804 0.421156 0.948804 Cd\n0.863514 0.863514 0.136486 Cd\n0.136486 0.136486 0.863514 Cd\n0.863514 0.136486 0.863514 Cd\n0.136486 0.863514 0.136486 Cd\n0.136486 0.863514 0.863514 Cd\n0.863514 0.136486 0.136486 Cd\n0.386486 0.386486 0.113514 Cd\n0.113514 0.113514 0.386486 Cd\n0.386486 0.113514 0.386486 Cd\n0.113514 0.386486 0.113514 Cd\n0.113514 0.386486 0.386486 Cd\n0.386486 0.113514 0.113514 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n",
"nsites": 46,
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"elements": [
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],
"chemical_system": "Cd-Ni-Sm",
"density": 8.532145764835183,
"density_atomic": 0.046971247965749426,
"volume": 979.3225002993822,
"volume_molar": 12.820908578778308,
"formula_full": "Sm2 Cd40 Ni4",
"formula_reduced": "Sm(Cd10Ni)2",
"formula_anonymous": "AB2C20",
"energy": -73.76145634,
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"updated_at": "2021-11-28T01:37:33.088000Z",
"spacegroup": 227
},
{
"id": "mp-1028173",
"created_at": "2022-09-04T14:42:26.097058Z",
"structure_string": "Ca1 Mg14 Zn1\n1.0\n6.419211 0.018575 0.000000\n-3.193519 5.531337 0.000000\n0.000000 0.000000 10.480527\nCa Mg Zn\n1 14 1\ndirect\n0.162629 0.331314 0.125000 Ca\n0.168013 0.334006 0.625000 Mg\n0.165806 0.832902 0.625000 Mg\n0.659152 0.320924 0.125000 Mg\n0.665538 0.334455 0.625000 Mg\n0.659152 0.838227 0.125000 Mg\n0.665538 0.831082 0.625000 Mg\n0.333997 0.161001 0.378687 Mg\n0.333997 0.161001 0.871313 Mg\n0.333997 0.672998 0.378687 Mg\n0.333997 0.672998 0.871313 Mg\n0.828501 0.164251 0.383404 Mg\n0.828501 0.164251 0.866596 Mg\n0.837700 0.668851 0.365631 Mg\n0.837700 0.668851 0.884369 Mg\n0.185781 0.842890 0.125000 Zn\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ca-Mg-Zn",
"density": 1.9857630604216903,
"density_atomic": 0.04292399552222551,
"volume": 372.7518793471917,
"volume_molar": 14.02977678739578,
"formula_full": "Ca1 Mg14 Zn1",
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"updated_at": "2021-11-28T01:35:45.145000Z",
"spacegroup": 38
},
{
"id": "mp-1094530",
"created_at": "2022-09-04T14:45:04.687539Z",
"structure_string": "Sr5 Mg1\n1.0\n2.118566 -10.404508 0.000000\n2.118566 10.404508 0.000000\n0.000000 0.000000 6.648194\nSr Mg\n5 1\ndirect\n0.999139 0.000861 0.000000 Sr\n0.325705 0.674295 0.000000 Sr\n0.669680 0.330320 0.000000 Sr\n0.431897 0.568103 0.500000 Sr\n0.127323 0.872676 0.500000 Sr\n0.779589 0.220411 0.500000 Mg\n",
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"elements": [
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"density": 2.619837731031288,
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"volume_molar": 29.416898253095177,
"formula_full": "Sr5 Mg1",
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"energy": -9.62308444,
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"spacegroup": 38
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{
"id": "mp-1218414",
"created_at": "2022-09-04T14:47:59.210931Z",
"structure_string": "Sr2 Zn3 Cd1\n1.0\n2.452100 5.572420 0.000000\n-2.452100 5.572420 0.000000\n0.000000 5.489036 5.624397\nSr Zn Cd\n2 3 1\ndirect\n0.448264 0.448264 0.801721 Sr\n0.549729 0.549729 0.199466 Sr\n0.174470 0.174470 0.394667 Zn\n0.154635 0.154635 0.782882 Zn\n0.836024 0.836024 0.220414 Zn\n0.836878 0.836878 0.600850 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"Cd"
],
"chemical_system": "Cd-Sr-Zn",
"density": 5.227535504945717,
"density_atomic": 0.039035816444921975,
"volume": 153.7049957304151,
"volume_molar": 15.42721866339598,
"formula_full": "Sr2 Zn3 Cd1",
"formula_reduced": "Sr2Zn3Cd",
"formula_anonymous": "AB2C3",
"energy": -9.62466696,
"energy_per_atom": -1.6041111600000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.62466696,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.711000Z",
"spacegroup": 8
}
]
}