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"results": [
{
"id": "mp-1220339",
"created_at": "2022-09-04T14:47:02.034620Z",
"structure_string": "Nd2 Cd1 Sb4\n1.0\n4.381990 0.000000 0.000000\n0.000000 4.381990 0.000000\n0.000000 0.000000 10.822516\nNd Cd Sb\n2 1 4\ndirect\n0.500000 0.000000 0.765521 Nd\n0.000000 0.500000 0.234479 Nd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.326491 Sb\n0.000000 0.500000 0.673509 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n",
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{
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"structure_string": "Cd2 N2 Cl6\n1.0\n5.108619 -5.506785 0.000000\n5.108619 5.506785 0.000000\n0.000000 0.000000 7.402407\nCd N Cl\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.481706 0.481706 0.250000 N\n0.518294 0.518294 0.750000 N\n0.863320 0.179015 0.750000 Cl\n0.179015 0.863320 0.750000 Cl\n0.676163 0.676163 0.750000 Cl\n0.136680 0.820985 0.250000 Cl\n0.820985 0.136680 0.250000 Cl\n0.323837 0.323837 0.250000 Cl\n",
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"volume": 416.4900116707763,
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"formula_full": "Cd2 N2 Cl6",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:36:16.032000Z",
"spacegroup": 63
},
{
"id": "mp-1207365",
"created_at": "2022-09-04T14:44:50.079545Z",
"structure_string": "Cs1 P2 Ir2\n1.0\n-1.987918 1.987918 7.273954\n1.987918 -1.987918 7.273954\n1.987918 1.987918 -7.273954\nCs P Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.337724 0.337724 0.000000 P\n0.662276 0.662276 0.000000 P\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n",
"nsites": 5,
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"elements": [
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"density": 8.36595237542491,
"density_atomic": 0.04348530599656777,
"volume": 114.98136865806217,
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"formula_full": "Cs1 P2 Ir2",
"formula_reduced": "Cs(PIr)2",
"formula_anonymous": "AB2C2",
"energy": -32.64929534,
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"updated_at": "2021-11-28T01:36:42.093000Z",
"spacegroup": 139
},
{
"id": "mp-1110640",
"created_at": "2022-09-04T14:44:11.479885Z",
"structure_string": "K2 In1 As1 Br6\n1.0\n0.000000 5.677835 5.677835\n5.677835 0.000000 5.677835\n5.677835 5.677835 0.000000\nK In As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.763201 0.236799 0.236799 Br\n0.236799 0.236799 0.763201 Br\n0.236799 0.763201 0.763201 Br\n0.236799 0.763201 0.236799 Br\n0.763201 0.236799 0.763201 Br\n0.763201 0.763201 0.236799 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"In",
"As",
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],
"chemical_system": "As-Br-In-K",
"density": 3.3900083281429914,
"density_atomic": 0.027316289169137437,
"volume": 366.08193514433236,
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"formula_full": "K2 In1 As1 Br6",
"formula_reduced": "K2InAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.64828865,
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"updated_at": "2021-11-28T01:36:27.568000Z",
"spacegroup": 225
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{
"id": "mp-1215471",
"created_at": "2022-09-04T14:46:12.814231Z",
"structure_string": "Zr2 H1 C1\n1.0\n1.679518 -2.909011 0.000000\n1.679518 2.909011 0.000000\n0.000000 0.000000 5.480153\nZr H C\n2 1 1\ndirect\n0.000000 0.000000 0.766615 Zr\n0.333333 0.666667 0.234771 Zr\n0.000000 0.000000 0.386698 H\n0.666667 0.333333 0.995915 C\n",
"nsites": 4,
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"elements": [
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"H",
"C"
],
"chemical_system": "C-H-Zr",
"density": 6.061345498222944,
"density_atomic": 0.0746977096406943,
"volume": 53.54916528552911,
"volume_molar": 8.062015273249047,
"formula_full": "Zr2 H1 C1",
"formula_reduced": "Zr2HC",
"formula_anonymous": "ABC2",
"energy": -32.64789116,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:26.416000Z",
"spacegroup": 156
},
{
"id": "mp-1110811",
"created_at": "2022-09-04T14:43:06.322175Z",
"structure_string": "Rb2 Ag1 Bi1 Br6\n1.0\n0.000000 5.708025 5.708025\n5.708025 0.000000 5.708025\n5.708025 5.708025 0.000000\nRb Ag Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.748433 0.251567 0.251567 Br\n0.251567 0.251567 0.748433 Br\n0.251567 0.748433 0.748433 Br\n0.251567 0.748433 0.251567 Br\n0.748433 0.251567 0.748433 Br\n0.748433 0.748433 0.251567 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
"chemical_system": "Ag-Bi-Br-Rb",
"density": 4.317988406153579,
"density_atomic": 0.02688514633239376,
"volume": 371.95259703500506,
"volume_molar": 22.399508953923586,
"formula_full": "Rb2 Ag1 Bi1 Br6",
"formula_reduced": "Rb2AgBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.64642554,
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"updated_at": "2021-11-28T01:36:06.023000Z",
"spacegroup": 225
},
{
"id": "mp-1110754",
"created_at": "2022-09-04T14:43:50.299670Z",
"structure_string": "K2 Rb1 Sb1 Br6\n1.0\n0.000000 6.048679 6.048679\n6.048679 0.000000 6.048679\n6.048679 6.048679 0.000000\nK Rb Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.767823 0.232177 0.232177 Br\n0.232177 0.232177 0.767823 Br\n0.232177 0.767823 0.767823 Br\n0.232177 0.767823 0.232177 Br\n0.767823 0.232177 0.767823 Br\n0.767823 0.767823 0.232177 Br\n",
"nsites": 10,
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"elements": [
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"Rb",
"Sb",
"Br"
],
"chemical_system": "Br-K-Rb-Sb",
"density": 2.8695437613935724,
"density_atomic": 0.022593753813257397,
"volume": 442.60020192537786,
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"formula_full": "K2 Rb1 Sb1 Br6",
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"updated_at": "2021-11-28T01:36:23.836000Z",
"spacegroup": 225
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{
"id": "mp-1028109",
"created_at": "2022-09-04T14:40:18.863809Z",
"structure_string": "Ca1 Mg14 Cr1\n1.0\n6.431352 0.000000 0.000000\n-3.215676 5.569713 -0.000000\n-0.000000 0.000000 10.408027\nCa Mg Cr\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.173475 0.836737 0.125000 Mg\n0.166774 0.833387 0.625000 Mg\n0.663263 0.326525 0.125000 Mg\n0.666613 0.333226 0.625000 Mg\n0.663263 0.836737 0.125000 Mg\n0.666613 0.833387 0.625000 Mg\n0.333202 0.166798 0.385202 Mg\n0.333202 0.166798 0.864798 Mg\n0.333202 0.666406 0.385202 Mg\n0.333202 0.666406 0.864798 Mg\n0.833594 0.166798 0.385202 Mg\n0.833594 0.166798 0.864798 Mg\n0.833333 0.666667 0.369887 Mg\n0.833333 0.666667 0.880113 Mg\n0.166667 0.333333 0.625000 Cr\n",
"nsites": 16,
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],
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"density": 1.9256401252347681,
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"volume": 372.82369579647695,
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"formula_full": "Ca1 Mg14 Cr1",
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"updated_at": "2021-11-28T01:34:51.054000Z",
"spacegroup": 187
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{
"id": "mp-1114122",
"created_at": "2022-09-04T14:43:16.717607Z",
"structure_string": "K1 Rb2 In1 Br6\n1.0\n0.000000 5.844036 5.844036\n5.844036 0.000000 5.844036\n5.844036 5.844036 0.000000\nK Rb In Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.768581 0.231419 0.231419 Br\n0.231419 0.231419 0.768581 Br\n0.231419 0.768581 0.768581 Br\n0.231419 0.768581 0.231419 Br\n0.768581 0.231419 0.768581 Br\n0.768581 0.768581 0.231419 Br\n",
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"volume": 399.179880118019,
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"formula_full": "K1 Rb2 In1 Br6",
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{
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"created_at": "2022-09-04T14:39:32.928086Z",
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"volume": 425.87212493827826,
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"formula_full": "Na3 Sc1 I6",
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"energy": -32.64016732,
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{
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"structure_string": "Mn1 Pb2 N2\n1.0\n3.135381 -0.035002 -0.597814\n-1.598003 2.767822 0.000000\n-1.504153 -0.868424 10.584681\nMn Pb N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.882057 0.441029 0.182066 Pb\n0.117943 0.558971 0.817934 Pb\n0.801191 0.400596 0.592941 N\n0.198809 0.599404 0.407059 N\n",
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"volume": 87.945245144943,
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"formula_full": "Mn1 Pb2 N2",
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"formula_anonymous": "AB2C2",
"energy": -32.63974208,
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{
"id": "mp-1185",
"created_at": "2022-09-04T14:46:09.401699Z",
"structure_string": "V1 Rh3\n1.0\n3.816839 0.000000 0.000000\n0.000000 3.816839 0.000000\n0.000000 0.000000 3.816839\nV Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
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]
}