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{
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"results": [
{
"id": "mp-1038975",
"created_at": "2022-09-04T14:47:16.991901Z",
"structure_string": "Mg2 Cd2\n1.0\n1.624655 -2.813984 0.000000\n1.624655 2.813984 0.000000\n0.000000 0.000000 9.783840\nMg Cd\n2 2\ndirect\n0.333333 0.666667 0.628974 Mg\n0.666667 0.333333 0.371026 Mg\n0.666667 0.333333 0.874065 Cd\n0.333333 0.666667 0.125935 Cd\n",
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"spacegroup": 164
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{
"id": "mp-1096529",
"created_at": "2022-09-04T14:48:26.268420Z",
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"elements": [
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"volume": 1574.2046694982623,
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"formula_full": "La1 Mg2 Sc1",
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"updated_at": "2021-11-28T01:39:17.407000Z",
"spacegroup": 71
},
{
"id": "mp-974816",
"created_at": "2022-09-04T14:42:52.992086Z",
"structure_string": "Rb3 Sm1\n1.0\n0.000000 5.129492 5.129492\n5.129492 0.000000 5.129492\n5.129492 5.129492 0.000000\nRb Sm\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sm\n",
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"density": 2.502291496911429,
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"volume": 269.9311880317477,
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"formula_full": "Rb3 Sm1",
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"energy": -5.13823854,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.559000Z",
"spacegroup": 225
},
{
"id": "mp-1016325",
"created_at": "2022-09-04T14:44:24.592182Z",
"structure_string": "Rb1 Mg7\n1.0\n3.462617 -5.997428 0.000000\n3.462617 5.997428 0.000000\n0.000000 0.000000 5.408642\nRb Mg\n1 7\ndirect\n0.666667 0.333333 0.500000 Rb\n0.162891 0.325783 0.500000 Mg\n0.674217 0.837109 0.500000 Mg\n0.162891 0.837109 0.500000 Mg\n0.847814 0.152186 0.000000 Mg\n0.304371 0.152186 0.000000 Mg\n0.847814 0.695629 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Rb",
"density": 1.8894133199174088,
"density_atomic": 0.03561248302536169,
"volume": 224.64033171466144,
"volume_molar": 16.91019622448479,
"formula_full": "Rb1 Mg7",
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"formula_anonymous": "AB7",
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"total_magnetization": 0.0017593,
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"updated_at": "2021-11-28T01:36:35.386000Z",
"spacegroup": 187
},
{
"id": "mp-1186096",
"created_at": "2022-09-04T14:43:03.046343Z",
"structure_string": "Na6 Yb2\n1.0\n3.847322 -6.663757 0.000000\n3.847322 6.663757 0.000000\n0.000000 0.000000 6.037561\nNa Yb\n6 2\ndirect\n0.161307 0.322615 0.250000 Na\n0.677385 0.838693 0.250000 Na\n0.161307 0.838693 0.250000 Na\n0.838693 0.677385 0.750000 Na\n0.322615 0.161307 0.750000 Na\n0.838693 0.161307 0.750000 Na\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n",
"nsites": 8,
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"elements": [
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"density": 2.5962227291624407,
"density_atomic": 0.02584168165146327,
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"formula_full": "Na6 Yb2",
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"energy": -10.28127604,
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"updated_at": "2021-11-28T01:36:03.723000Z",
"spacegroup": 194
},
{
"id": "mp-1026845",
"created_at": "2022-09-04T14:44:56.582822Z",
"structure_string": "Cs1 K1 Mg14\n1.0\n6.965608 -0.000000 0.000000\n-3.482804 6.032392 -0.000000\n0.000000 -0.000000 10.616500\nCs K Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 K\n0.171816 0.835907 0.125000 Mg\n0.175635 0.837817 0.625000 Mg\n0.664093 0.328184 0.125000 Mg\n0.662183 0.324365 0.625000 Mg\n0.664093 0.835907 0.125000 Mg\n0.662183 0.837817 0.625000 Mg\n0.350508 0.149492 0.368537 Mg\n0.350508 0.149492 0.881463 Mg\n0.350508 0.701018 0.368537 Mg\n0.350508 0.701018 0.881463 Mg\n0.798982 0.149492 0.368537 Mg\n0.798982 0.149492 0.881463 Mg\n0.833333 0.666667 0.375641 Mg\n0.833333 0.666667 0.874359 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"K",
"Mg"
],
"chemical_system": "Cs-K-Mg",
"density": 1.9068707265229283,
"density_atomic": 0.03586658543443665,
"volume": 446.09766461453813,
"volume_molar": 16.790393306350122,
"formula_full": "Cs1 K1 Mg14",
"formula_reduced": "CsKMg14",
"formula_anonymous": "ABC14",
"energy": -20.57624371,
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"total_magnetization": 2.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.059000Z",
"spacegroup": 187
},
{
"id": "mp-1215080",
"created_at": "2022-09-04T14:39:07.800906Z",
"structure_string": "Ag12 S1 Br1\n1.0\n19.427257 0.000000 0.000000\n0.000000 19.427257 0.000000\n0.000000 0.000000 19.427257\nAg S Br\n12 1 1\ndirect\n0.097807 0.500000 0.000000 Ag\n0.902193 0.500000 0.000000 Ag\n0.000000 0.097807 0.500000 Ag\n0.500000 0.097807 0.000000 Ag\n0.000000 0.902193 0.500000 Ag\n0.500000 0.902193 0.000000 Ag\n0.500000 0.000000 0.097807 Ag\n0.097807 0.000000 0.500000 Ag\n0.500000 0.000000 0.902193 Ag\n0.902193 0.000000 0.500000 Ag\n0.000000 0.500000 0.097807 Ag\n0.000000 0.500000 0.902193 Ag\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n",
"nsites": 14,
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"elements": [
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"S",
"Br"
],
"chemical_system": "Ag-Br-S",
"density": 0.31850745949852477,
"density_atomic": 0.0019093853207317948,
"volume": 7332.202593154079,
"volume_molar": 315.39682926293483,
"formula_full": "Ag12 S1 Br1",
"formula_reduced": "Ag12SBr",
"formula_anonymous": "ABC12",
"energy": -18.00708367,
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"spacegroup": 221
},
{
"id": "mp-977115",
"created_at": "2022-09-04T14:42:19.437999Z",
"structure_string": "Na1 Sr1 Hg2\n1.0\n0.000000 3.900283 3.900283\n3.900283 0.000000 3.900283\n3.900283 3.900283 0.000000\nNa Sr Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 7.161802521011423,
"density_atomic": 0.03370867139640861,
"volume": 118.66382845412792,
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"formula_full": "Na1 Sr1 Hg2",
"formula_reduced": "NaSrHg2",
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"energy": -5.14573458,
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"updated_at": "2021-11-28T01:35:43.998000Z",
"spacegroup": 225
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{
"id": "mp-1096018",
"created_at": "2022-09-04T14:43:48.442705Z",
"structure_string": "Ba1 Li2 Sn1\n1.0\n-6.338868 6.548757 9.089066\n6.338868 -6.548757 9.089066\n6.338868 6.548757 -9.089066\nBa Li Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.210452 0.210452 Li\n0.000000 0.789548 0.789548 Li\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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],
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"density": 0.29698377376632146,
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"volume": 1509.2105492277685,
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"formula_full": "Ba1 Li2 Sn1",
"formula_reduced": "BaLi2Sn",
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"updated_at": "2021-11-28T01:36:10.658000Z",
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{
"id": "mp-2504",
"created_at": "2022-09-04T14:47:56.389504Z",
"structure_string": "Rb2 Zn26\n1.0\n0.000000 6.222326 6.222326\n6.222326 0.000000 6.222326\n6.222326 6.222326 0.000000\nRb Zn\n2 26\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.298724 0.939494 0.060506 Zn\n0.798724 0.201276 0.560506 Zn\n0.560506 0.439494 0.798724 Zn\n0.798724 0.439494 0.201276 Zn\n0.439494 0.798724 0.560506 Zn\n0.439494 0.201276 0.798724 Zn\n0.560506 0.798724 0.201276 Zn\n0.060506 0.939494 0.701276 Zn\n0.701276 0.939494 0.298724 Zn\n0.939494 0.701276 0.060506 Zn\n0.701276 0.298724 0.060506 Zn\n0.939494 0.060506 0.298724 Zn\n0.060506 0.298724 0.939494 Zn\n0.298724 0.701276 0.939494 Zn\n0.298724 0.060506 0.701276 Zn\n0.560506 0.201276 0.439494 Zn\n0.201276 0.798724 0.439494 Zn\n0.201276 0.439494 0.560506 Zn\n0.798724 0.560506 0.439494 Zn\n0.439494 0.560506 0.201276 Zn\n0.201276 0.560506 0.798724 Zn\n0.060506 0.701276 0.298724 Zn\n0.939494 0.298724 0.701276 Zn\n0.701276 0.060506 0.939494 Zn\n",
"nsites": 28,
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"density": 6.450105250537316,
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"volume": 481.8238332470689,
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"formula_full": "Rb2 Zn26",
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"updated_at": "2021-11-28T01:38:17.335000Z",
"spacegroup": 226
},
{
"id": "mp-1247881",
"created_at": "2022-09-04T14:46:16.248352Z",
"structure_string": "Ba1 Cu6 P2\n1.0\n15.164600 0.000000 0.000000\n0.000000 15.164600 0.000000\n0.000000 0.000000 29.653542\nBa Cu P\n1 6 2\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.696152 Cu\n0.000000 0.500000 0.303848 Cu\n-0.000000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.696152 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.303848 Cu\n0.500000 0.500000 0.426546 P\n0.500000 0.500000 0.573454 P\n",
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"density": 0.14136784074815095,
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"volume": 6819.279548553974,
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"formula_full": "Ba1 Cu6 P2",
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"energy": -11.59121438,
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{
"id": "mp-974658",
"created_at": "2022-09-04T14:40:21.718528Z",
"structure_string": "Rb6 Ac2\n1.0\n4.653833 -8.060675 0.000000\n4.653833 8.060675 0.000000\n0.000000 0.000000 7.719440\nRb Ac\n6 2\ndirect\n0.170487 0.340974 0.250000 Rb\n0.659026 0.829513 0.250000 Rb\n0.170487 0.829513 0.250000 Rb\n0.829513 0.659026 0.750000 Rb\n0.340974 0.170487 0.750000 Rb\n0.829513 0.170487 0.750000 Rb\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
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"volume": 579.1592506991706,
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"formula_full": "Rb6 Ac2",
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}
]
}