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{
"count": 146323,
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"results": [
{
"id": "mp-639747",
"created_at": "2022-09-04T14:40:57.181822Z",
"structure_string": "Ba1\n1.0\n3.953643 0.000000 0.000000\n0.000000 3.953643 0.000000\n0.000000 0.000000 3.953643\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
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"volume": 61.800552037518536,
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"formula_full": "Ba1",
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"energy": -1.6229062,
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"updated_at": "2021-11-28T01:34:57.748000Z",
"spacegroup": 221
},
{
"id": "mp-1183548",
"created_at": "2022-09-04T14:43:56.603635Z",
"structure_string": "Ca1 Mg1 Cd2\n1.0\n0.000000 3.648238 3.648238\n3.648238 0.000000 3.648238\n3.648238 3.648238 0.000000\nCa Mg Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
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"volume": 97.11347251076285,
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"formula_full": "Ca1 Mg1 Cd2",
"formula_reduced": "CaMgCd2",
"formula_anonymous": "ABC2",
"energy": -6.49235687,
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"updated_at": "2021-11-28T01:36:24.299000Z",
"spacegroup": 225
},
{
"id": "mp-1023493",
"created_at": "2022-09-04T14:39:35.425583Z",
"structure_string": "Li1 Mg15\n1.0\n3.183079 -5.513255 0.000000\n3.183079 5.513255 0.000000\n0.000000 0.000000 10.325894\nLi Mg\n1 15\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Mg\n0.000289 0.500144 0.000000 Mg\n0.000065 0.500032 0.500000 Mg\n0.499856 0.500144 0.000000 Mg\n0.499968 0.500032 0.500000 Mg\n0.499856 0.999711 0.000000 Mg\n0.499968 0.999935 0.500000 Mg\n0.166199 0.332398 0.750099 Mg\n0.166199 0.332398 0.249901 Mg\n0.166199 0.833801 0.750099 Mg\n0.166199 0.833801 0.249901 Mg\n0.667602 0.833801 0.750099 Mg\n0.667602 0.833801 0.249901 Mg\n0.666667 0.333333 0.749731 Mg\n0.666667 0.333333 0.250269 Mg\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.7022112797889506,
"density_atomic": 0.04414757236271414,
"volume": 362.4208341184616,
"volume_molar": 13.640932983862413,
"formula_full": "Li1 Mg15",
"formula_reduced": "LiMg15",
"formula_anonymous": "AB15",
"energy": -25.97744056,
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"energy_uncorrected": -25.97744056,
"band_gap": 0.0,
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"total_magnetization": 0.0018488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.073000Z",
"spacegroup": 187
},
{
"id": "mp-1026609",
"created_at": "2022-09-04T14:46:52.351511Z",
"structure_string": "Rb1 Mg14 Bi1\n1.0\n6.637522 -0.004242 0.000000\n-3.322435 5.754626 0.000000\n0.000000 0.000000 10.681796\nRb Mg Bi\n1 14 1\ndirect\n0.168729 0.334364 0.125000 Rb\n0.166066 0.333032 0.625000 Mg\n0.163579 0.831789 0.625000 Mg\n0.666607 0.327753 0.125000 Mg\n0.668610 0.336495 0.625000 Mg\n0.666607 0.838854 0.125000 Mg\n0.668610 0.832113 0.625000 Mg\n0.340202 0.163800 0.391534 Mg\n0.340202 0.163800 0.858466 Mg\n0.340202 0.676403 0.391534 Mg\n0.340202 0.676403 0.858466 Mg\n0.819798 0.159900 0.390506 Mg\n0.819798 0.159900 0.859494 Mg\n0.827368 0.663684 0.375128 Mg\n0.827368 0.663684 0.874872 Mg\n0.176053 0.838026 0.125000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg-Rb",
"density": 2.5841812334460927,
"density_atomic": 0.03922951166055308,
"volume": 407.8562113759033,
"volume_molar": 15.351046967162517,
"formula_full": "Rb1 Mg14 Bi1",
"formula_reduced": "RbMg14Bi",
"formula_anonymous": "ABC14",
"energy": -25.97829791,
"energy_per_atom": -1.623643619375,
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"energy_uncorrected": -25.97829791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.95e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.744000Z",
"spacegroup": 38
},
{
"id": "mp-1187633",
"created_at": "2022-09-04T14:43:17.960719Z",
"structure_string": "Yb2 Mg2\n1.0\n3.809581 0.000000 0.000000\n0.000000 5.678481 0.000000\n0.000000 0.000000 5.709694\nYb Mg\n2 2\ndirect\n0.000000 0.750000 0.740090 Yb\n0.000000 0.250000 0.259910 Yb\n0.500000 0.750000 0.236967 Mg\n0.500000 0.250000 0.763033 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 5.306192456011083,
"density_atomic": 0.032384542684934195,
"volume": 123.51571670829442,
"volume_molar": 18.59572580224082,
"formula_full": "Yb2 Mg2",
"formula_reduced": "YbMg",
"formula_anonymous": "AB",
"energy": -6.49533237,
"energy_per_atom": -1.6238330925,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -6.49533237,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.00248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.280000Z",
"spacegroup": 51
},
{
"id": "mp-1185590",
"created_at": "2022-09-04T14:42:24.609372Z",
"structure_string": "Mg149 I1\n1.0\n13.786166 -7.959450 0.000000\n0.000000 15.918902 0.000000\n-0.000000 -0.000000 15.601034\nMg I\n149 1\ndirect\n0.207051 0.001150 0.000000 Mg\n0.794100 0.001151 0.000000 Mg\n0.799297 0.200703 0.000000 Mg\n0.401406 0.200703 0.000000 Mg\n0.600501 0.201002 0.000000 Mg\n0.998850 0.205900 0.000000 Mg\n0.207051 0.205900 0.000000 Mg\n0.600501 0.399498 0.000000 Mg\n0.798998 0.399498 0.000000 Mg\n0.200160 0.400320 0.000000 Mg\n0.000484 0.402261 0.000000 Mg\n0.401777 0.402261 0.000000 Mg\n0.597738 0.598223 0.000000 Mg\n0.000484 0.598223 0.000000 Mg\n0.799297 0.598595 0.000000 Mg\n0.399487 0.600513 0.000000 Mg\n0.201026 0.600513 0.000000 Mg\n0.794100 0.792949 0.000000 Mg\n0.998850 0.792949 0.000000 Mg\n0.399487 0.798974 0.000000 Mg\n0.200160 0.799840 0.000000 Mg\n0.599680 0.799840 0.000000 Mg\n0.401777 0.999516 0.000000 Mg\n0.597738 0.999516 0.000000 Mg\n0.666667 0.333333 0.166108 Mg\n0.666850 0.133330 0.166232 Mg\n0.466481 0.133331 0.166232 Mg\n0.866670 0.333150 0.166232 Mg\n0.466481 0.333150 0.166232 Mg\n0.666850 0.533520 0.166232 Mg\n0.866670 0.533520 0.166232 Mg\n0.266691 0.533380 0.166473 Mg\n0.466619 0.733309 0.166473 Mg\n0.266691 0.733309 0.166473 Mg\n0.267135 0.333746 0.166766 Mg\n0.066610 0.333746 0.166766 Mg\n0.666254 0.732865 0.166766 Mg\n0.066610 0.732865 0.166766 Mg\n0.267135 0.933390 0.166766 Mg\n0.666254 0.933390 0.166766 Mg\n0.266006 0.133003 0.167043 Mg\n0.866998 0.133003 0.167043 Mg\n0.866998 0.733994 0.167043 Mg\n0.067059 0.533529 0.166953 Mg\n0.466471 0.533529 0.166953 Mg\n0.466471 0.932941 0.166953 Mg\n0.068315 0.136630 0.172442 Mg\n0.068315 0.931685 0.172442 Mg\n0.863369 0.931685 0.172442 Mg\n0.799961 0.200039 0.332773 Mg\n0.400079 0.200039 0.332773 Mg\n0.799961 0.599922 0.332773 Mg\n0.000000 0.000000 0.332897 Mg\n0.199845 0.399690 0.332841 Mg\n0.199845 0.800154 0.332841 Mg\n0.600309 0.800155 0.332841 Mg\n0.600201 0.200403 0.332898 Mg\n0.600201 0.399798 0.332898 Mg\n0.799597 0.399798 0.332898 Mg\n0.399876 0.600124 0.333127 Mg\n0.200249 0.600124 0.333127 Mg\n0.399876 0.799751 0.333127 Mg\n0.400324 0.000041 0.333571 Mg\n0.599718 0.000041 0.333571 Mg\n0.400324 0.400282 0.333571 Mg\n0.999959 0.400282 0.333571 Mg\n0.599718 0.599676 0.333571 Mg\n0.999959 0.599676 0.333571 Mg\n0.799327 0.000290 0.335050 Mg\n0.200962 0.000290 0.335050 Mg\n0.999710 0.200672 0.335050 Mg\n0.200962 0.200673 0.335050 Mg\n0.999710 0.799038 0.335050 Mg\n0.799327 0.799038 0.335050 Mg\n0.066564 0.133128 0.500000 Mg\n0.466636 0.133348 0.500000 Mg\n0.666712 0.133348 0.500000 Mg\n0.866347 0.133653 0.500000 Mg\n0.267304 0.133653 0.500000 Mg\n0.866652 0.333289 0.500000 Mg\n0.466636 0.333289 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266700 0.333906 0.500000 Mg\n0.067206 0.333906 0.500000 Mg\n0.866652 0.533364 0.500000 Mg\n0.666712 0.533364 0.500000 Mg\n0.066758 0.533379 0.500000 Mg\n0.466621 0.533379 0.500000 Mg\n0.266746 0.533493 0.500000 Mg\n0.866347 0.732695 0.500000 Mg\n0.666094 0.733300 0.500000 Mg\n0.067206 0.733300 0.500000 Mg\n0.466507 0.733254 0.500000 Mg\n0.266746 0.733254 0.500000 Mg\n0.666094 0.932794 0.500000 Mg\n0.266700 0.932794 0.500000 Mg\n0.466621 0.933242 0.500000 Mg\n0.866872 0.933436 0.500000 Mg\n0.066564 0.933436 0.500000 Mg\n0.799327 0.000290 0.664950 Mg\n0.200962 0.000290 0.664950 Mg\n0.999710 0.200672 0.664950 Mg\n0.200962 0.200673 0.664950 Mg\n0.999710 0.799038 0.664950 Mg\n0.799327 0.799038 0.664950 Mg\n0.400324 0.000041 0.666429 Mg\n0.599718 0.000041 0.666429 Mg\n0.400324 0.400282 0.666429 Mg\n0.999959 0.400282 0.666429 Mg\n0.599718 0.599676 0.666429 Mg\n0.999959 0.599676 0.666429 Mg\n0.399876 0.600124 0.666872 Mg\n0.200249 0.600124 0.666872 Mg\n0.399876 0.799751 0.666872 Mg\n0.600201 0.200403 0.667102 Mg\n0.600201 0.399798 0.667102 Mg\n0.799597 0.399798 0.667102 Mg\n0.199845 0.399690 0.667159 Mg\n0.199845 0.800154 0.667159 Mg\n0.600309 0.800155 0.667159 Mg\n0.000000 0.000000 0.667103 Mg\n0.799961 0.200039 0.667226 Mg\n0.400079 0.200039 0.667226 Mg\n0.799961 0.599922 0.667226 Mg\n0.068315 0.136630 0.827558 Mg\n0.068315 0.931685 0.827558 Mg\n0.863369 0.931685 0.827558 Mg\n0.067059 0.533529 0.833046 Mg\n0.466471 0.533529 0.833046 Mg\n0.466471 0.932941 0.833046 Mg\n0.266006 0.133003 0.832957 Mg\n0.866998 0.133003 0.832957 Mg\n0.866998 0.733994 0.832957 Mg\n0.267135 0.333746 0.833234 Mg\n0.066610 0.333746 0.833234 Mg\n0.666254 0.732865 0.833234 Mg\n0.066610 0.732865 0.833234 Mg\n0.267135 0.933390 0.833234 Mg\n0.666254 0.933390 0.833234 Mg\n0.266691 0.533380 0.833527 Mg\n0.466619 0.733309 0.833527 Mg\n0.266691 0.733309 0.833527 Mg\n0.666850 0.133330 0.833768 Mg\n0.466481 0.133331 0.833768 Mg\n0.866670 0.333150 0.833768 Mg\n0.466481 0.333150 0.833768 Mg\n0.666850 0.533520 0.833768 Mg\n0.866670 0.533520 0.833768 Mg\n0.666667 0.333333 0.833892 Mg\n0.000000 0.000000 0.000000 I\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"I"
],
"chemical_system": "I-Mg",
"density": 1.8179384538556742,
"density_atomic": 0.043810808011128376,
"volume": 3423.812680238596,
"volume_molar": 13.745787930846465,
"formula_full": "Mg149 I1",
"formula_reduced": "Mg149I",
"formula_anonymous": "AB149",
"energy": -243.58182932,
"energy_per_atom": -1.6238788621333333,
"energy_above_hull": null,
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"energy_uncorrected": -243.20282932,
"band_gap": 0.0012999999999996,
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"total_magnetization": 0.0339969,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.572000Z",
"spacegroup": 187
},
{
"id": "mp-1028380",
"created_at": "2022-09-04T14:47:07.785697Z",
"structure_string": "Cs1 Mg14 Ni1\n1.0\n6.581096 0.160123 0.000000\n-3.151877 5.459211 0.000000\n0.000000 0.000000 10.713493\nCs Mg Ni\n1 14 1\ndirect\n0.097299 0.798649 0.125000 Cs\n0.160266 0.330133 0.625000 Mg\n0.178299 0.839149 0.625000 Mg\n0.597726 0.303066 0.125000 Mg\n0.666464 0.325592 0.625000 Mg\n0.597726 0.794658 0.125000 Mg\n0.666464 0.840871 0.625000 Mg\n0.351987 0.183091 0.384123 Mg\n0.351987 0.183091 0.865877 Mg\n0.351987 0.668898 0.384123 Mg\n0.351987 0.668898 0.865877 Mg\n0.870149 0.185075 0.337689 Mg\n0.870149 0.185075 0.912311 Mg\n0.832174 0.666088 0.405224 Mg\n0.832174 0.666088 0.844776 Mg\n0.223159 0.361579 0.125000 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Ni"
],
"chemical_system": "Cs-Mg-Ni",
"density": 2.2627481440436905,
"density_atomic": 0.04099232443153016,
"volume": 390.3169732842288,
"volume_molar": 14.69089846334241,
"formula_full": "Cs1 Mg14 Ni1",
"formula_reduced": "CsMg14Ni",
"formula_anonymous": "ABC14",
"energy": -25.98869685,
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"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.506000Z",
"spacegroup": 38
},
{
"id": "mp-1185581",
"created_at": "2022-09-04T14:45:30.332486Z",
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"elements": [
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"spacegroup": 187
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{
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{
"id": "mp-1185155",
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"structure_string": "K2 Ba6\n1.0\n4.540073 -7.863637 0.000000\n4.540073 7.863637 0.000000\n0.000000 0.000000 7.452212\nK Ba\n2 6\ndirect\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.750000 K\n0.837310 0.674620 0.750000 Ba\n0.162690 0.837310 0.250000 Ba\n0.674620 0.837310 0.250000 Ba\n0.162690 0.325380 0.250000 Ba\n0.325380 0.162690 0.750000 Ba\n0.837310 0.162690 0.750000 Ba\n",
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{
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{
"id": "mp-1039117",
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]
}