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"results": [
{
"id": "mp-1221894",
"created_at": "2022-09-04T14:40:08.968731Z",
"structure_string": "Mn2 Ga1 Cu3\n1.0\n4.202204 -2.432215 0.000000\n4.202204 2.432215 0.000000\n2.794450 0.000000 3.970546\nMn Ga Cu\n2 1 3\ndirect\n0.625131 0.625131 0.625131 Mn\n0.374869 0.374869 0.374869 Mn\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n",
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{
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"volume": 398.94877887248145,
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"formula_full": "Cs2 K1 As1 Br6",
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"spacegroup": 225
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{
"id": "mp-631392",
"created_at": "2022-09-04T14:45:21.894818Z",
"structure_string": "Sr1 Hf1 Re2\n1.0\n0.000000 3.373528 3.373528\n3.373528 0.000000 3.373528\n3.373528 3.373528 0.000000\nSr Hf Re\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Re\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
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"elements": [
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"Hf",
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"chemical_system": "Hf-Re-Sr",
"density": 13.808400346972988,
"density_atomic": 0.05209272045444879,
"volume": 76.78616062099698,
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"formula_full": "Sr1 Hf1 Re2",
"formula_reduced": "SrHfRe2",
"formula_anonymous": "ABC2",
"energy": -33.22290619,
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"updated_at": "2021-11-28T01:37:03.835000Z",
"spacegroup": 216
},
{
"id": "mp-1209831",
"created_at": "2022-09-04T14:41:06.560476Z",
"structure_string": "Nd2 Fe1 As2 O1\n1.0\n3.314495 0.000000 0.000000\n0.000000 3.314495 0.000000\n0.000000 0.000000 15.291451\nNd Fe As O\n2 1 2 1\ndirect\n0.500000 0.500000 0.637499 Nd\n0.500000 0.500000 0.362501 Nd\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.159446 As\n0.500000 0.500000 0.840554 As\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
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"elements": [
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"chemical_system": "As-Fe-Nd-O",
"density": 5.042918418895868,
"density_atomic": 0.03571641138426659,
"volume": 167.99000144351166,
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"formula_full": "Nd2 Fe1 As2 O1",
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"formula_anonymous": "ABC2D2",
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"updated_at": "2021-11-28T01:35:15.919000Z",
"spacegroup": 123
},
{
"id": "mp-30789",
"created_at": "2022-09-04T14:44:24.332936Z",
"structure_string": "U2 Mo1\n1.0\n-1.715163 1.715163 4.854517\n1.715163 -1.715163 4.854517\n1.715163 1.715163 -4.854517\nU Mo\n2 1\ndirect\n0.320719 0.320719 0.000000 U\n0.679281 0.679281 0.000000 U\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.052517547672711544,
"volume": 57.123764016856775,
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"formula_full": "U2 Mo1",
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"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:36:40.708000Z",
"spacegroup": 139
},
{
"id": "mp-1180279",
"created_at": "2022-09-04T14:42:52.442853Z",
"structure_string": "Mg2 F4\n1.0\n-1.958106 3.298708 4.288165\n1.958106 -3.298708 4.288165\n1.958106 3.298708 -4.288165\nMg F\n2 4\ndirect\n0.854508 0.604508 0.250000 Mg\n0.145492 0.395492 0.750000 Mg\n0.090880 0.840880 0.250000 F\n0.500000 0.500000 0.000000 F\n0.909120 0.159120 0.750000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 6,
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"elements": [
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"chemical_system": "F-Mg",
"density": 1.8675325542799164,
"density_atomic": 0.05415514205528346,
"volume": 110.79280327387914,
"volume_molar": 11.120164275171483,
"formula_full": "Mg2 F4",
"formula_reduced": "MgF2",
"formula_anonymous": "AB2",
"energy": -33.22151394,
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"updated_at": "2021-11-28T01:36:01.551000Z",
"spacegroup": 74
},
{
"id": "mp-1023013",
"created_at": "2022-09-04T14:45:10.015572Z",
"structure_string": "Rb2 Mg12 Mn2\n1.0\n5.252797 0.000000 0.000000\n0.000000 6.914514 0.000000\n0.000000 0.000000 11.571049\nRb Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.835696 Rb\n0.500000 0.000000 0.335696 Rb\n0.500000 0.245715 0.081396 Mg\n0.500000 0.754285 0.081396 Mg\n0.000000 0.217397 0.918664 Mg\n0.000000 0.782603 0.918664 Mg\n0.000000 0.500000 0.170921 Mg\n0.000000 0.500000 0.650606 Mg\n0.500000 0.745715 0.581396 Mg\n0.500000 0.254285 0.581396 Mg\n0.000000 0.717397 0.418664 Mg\n0.000000 0.282603 0.418664 Mg\n0.000000 0.000000 0.670921 Mg\n0.000000 0.000000 0.150606 Mg\n0.500000 0.500000 0.342663 Mn\n0.500000 0.000000 0.842663 Mn\n",
"nsites": 16,
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"elements": [
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"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Rb",
"density": 2.2619244852857605,
"density_atomic": 0.03807106029949182,
"volume": 420.2667294825401,
"volume_molar": 15.818158760554365,
"formula_full": "Rb2 Mg12 Mn2",
"formula_reduced": "RbMg6Mn",
"formula_anonymous": "ABC6",
"energy": -33.22024732,
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},
{
"id": "mp-1023496",
"created_at": "2022-09-04T14:45:24.297068Z",
"structure_string": "Mg15 Mo1\n1.0\n3.156378 -5.467007 0.000000\n3.156378 5.467007 0.000000\n0.000000 0.000000 10.083244\nMg Mo\n15 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.999788 0.499894 0.500000 Mg\n0.001769 0.500884 0.000000 Mg\n0.500106 0.499894 0.500000 Mg\n0.499116 0.500884 0.000000 Mg\n0.500106 0.000212 0.500000 Mg\n0.499116 0.998231 0.000000 Mg\n0.160479 0.320957 0.260184 Mg\n0.160479 0.320957 0.739816 Mg\n0.160479 0.839521 0.260184 Mg\n0.160479 0.839521 0.739816 Mg\n0.679043 0.839521 0.260184 Mg\n0.679043 0.839521 0.739816 Mg\n0.666667 0.333333 0.249078 Mg\n0.666667 0.333333 0.750922 Mg\n0.000000 0.000000 0.500000 Mo\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Mo",
"density": 2.19747512800876,
"density_atomic": 0.04597810552808394,
"volume": 347.99171945497017,
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"formula_full": "Mg15 Mo1",
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"spacegroup": 187
},
{
"id": "mp-1215622",
"created_at": "2022-09-04T14:42:20.138127Z",
"structure_string": "Zn1 Cu2 Sn1 Se3 S1\n1.0\n4.007028 4.004807 0.000000\n-4.007028 4.004807 0.000000\n0.000000 4.002370 5.709202\nZn Cu Sn Se S\n1 2 1 3 1\ndirect\n0.003912 0.003912 0.007027 Zn\n0.761749 0.244955 0.492929 Cu\n0.244955 0.761749 0.492929 Cu\n0.489687 0.489687 0.006038 Sn\n0.622344 0.622344 0.271892 Se\n0.894181 0.374859 0.731084 Se\n0.374859 0.894181 0.731084 Se\n0.108313 0.108313 0.267017 S\n",
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],
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"formula_full": "Zn1 Cu2 Sn1 Se3 S1",
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{
"id": "mp-1110928",
"created_at": "2022-09-04T14:41:06.518946Z",
"structure_string": "K3 Bi1 Br6\n1.0\n0.000000 5.991688 5.991688\n5.991688 0.000000 5.991688\n5.991688 5.991688 0.000000\nK Bi Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.761286 0.238714 0.238714 Br\n0.238714 0.238714 0.761286 Br\n0.238714 0.761286 0.761286 Br\n0.238714 0.761286 0.238714 Br\n0.761286 0.238714 0.761286 Br\n0.761286 0.761286 0.238714 Br\n",
"nsites": 10,
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"density": 3.109886336210183,
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"volume": 430.2070940678428,
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"formula_full": "K3 Bi1 Br6",
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"spacegroup": 225
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{
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"structure_string": "Co1 Ni1 As4\n1.0\n0.000000 0.000000 3.346203\n4.954327 0.003120 0.000000\n0.003728 5.858379 0.000000\nCo Ni As\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.500000 0.692154 0.137503 As\n0.500000 0.307846 0.862497 As\n0.000000 0.198539 0.368865 As\n0.000000 0.801461 0.631135 As\n",
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"formula_full": "Co1 Ni1 As4",
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"spacegroup": 10
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{
"id": "mp-1112942",
"created_at": "2022-09-04T14:40:56.005782Z",
"structure_string": "Cs2 Pr1 Ag1 I6\n1.0\n0.000000 6.191219 6.191219\n6.191219 0.000000 6.191219\n6.191219 6.191219 0.000000\nCs Pr Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753148 0.246852 0.246852 I\n0.246852 0.246852 0.753148 I\n0.246852 0.753148 0.753148 I\n0.246852 0.753148 0.246852 I\n0.753148 0.246852 0.753148 I\n0.753148 0.753148 0.246852 I\n",
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"volume": 474.63361714761436,
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"formula_full": "Cs2 Pr1 Ag1 I6",
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"updated_at": "2021-11-28T01:34:59.115000Z",
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}
]
}