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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=11516",
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"results": [
{
"id": "mp-608490",
"created_at": "2022-09-04T14:46:15.904898Z",
"structure_string": "Na4 Hg4 Cl12\n1.0\n4.197563 0.000000 0.000000\n0.000000 7.490832 0.000000\n0.000000 0.000000 18.240625\nNa Hg Cl\n4 4 12\ndirect\n0.250000 0.095825 0.625289 Na\n0.750000 0.404175 0.125289 Na\n0.750000 0.904175 0.374711 Na\n0.250000 0.595825 0.874711 Na\n0.250000 0.112248 0.904813 Hg\n0.750000 0.387752 0.404813 Hg\n0.750000 0.887752 0.095187 Hg\n0.250000 0.612248 0.595187 Hg\n0.750000 0.581481 0.300665 Cl\n0.750000 0.081481 0.199335 Cl\n0.250000 0.148569 0.367681 Cl\n0.250000 0.918519 0.800665 Cl\n0.250000 0.711475 0.468495 Cl\n0.250000 0.211475 0.031505 Cl\n0.750000 0.351431 0.867681 Cl\n0.250000 0.648569 0.132319 Cl\n0.750000 0.788525 0.968495 Cl\n0.750000 0.851431 0.632319 Cl\n0.750000 0.288525 0.531505 Cl\n0.250000 0.418519 0.699335 Cl\n",
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"spacegroup": 62
},
{
"id": "mp-1104591",
"created_at": "2022-09-04T14:45:26.071100Z",
"structure_string": "Hg5 Cl4 O4\n1.0\n-6.191338 0.000000 0.000000\n2.423604 6.477371 0.000000\n-0.015316 -0.073813 -7.914289\nHg Cl O\n5 4 4\ndirect\n0.243547 0.808638 0.328787 Hg\n0.756453 0.191362 0.671213 Hg\n0.217610 0.305333 0.337986 Hg\n0.782390 0.694667 0.662014 Hg\n0.000000 0.000000 0.000000 Hg\n0.262393 0.062853 0.642976 Cl\n0.737607 0.937147 0.357024 Cl\n0.780049 0.464966 0.993738 Cl\n0.219951 0.535034 0.006262 Cl\n0.258281 0.069548 0.181445 O\n0.741719 0.930452 0.818555 O\n0.802287 0.449657 0.522241 O\n0.197713 0.550343 0.477759 O\n",
"nsites": 13,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Hg-O",
"density": 6.324028847579251,
"density_atomic": 0.04095888833036701,
"volume": 317.3914266213561,
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"formula_full": "Hg5 Cl4 O4",
"formula_reduced": "Hg5(ClO)4",
"formula_anonymous": "A4B4C5",
"energy": -36.77176353,
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"updated_at": "2021-11-28T01:36:54.862000Z",
"spacegroup": 2
},
{
"id": "mp-1223984",
"created_at": "2022-09-04T14:41:50.710327Z",
"structure_string": "Hg1 Pb3\n1.0\n4.055890 0.000000 0.000000\n0.000000 4.055890 0.000000\n0.000000 0.000000 7.365453\nHg Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.239851 Pb\n0.500000 0.500000 0.760149 Pb\n0.000000 0.000000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Pb",
"density": 11.268068781097874,
"density_atomic": 0.033013243321657164,
"volume": 121.16349675270901,
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"formula_full": "Hg1 Pb3",
"formula_reduced": "HgPb3",
"formula_anonymous": "AB3",
"energy": -11.31290139,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:30.468000Z",
"spacegroup": 123
},
{
"id": "mp-29806",
"created_at": "2022-09-04T14:39:33.611676Z",
"structure_string": "Cs2 Pd1 I6\n1.0\n-4.615200 4.615200 4.666011\n4.615200 -4.615200 4.666011\n4.615200 4.615200 -4.666011\nCs Pd I\n2 1 6\ndirect\n0.750000 0.250000 0.500000 Cs\n0.250000 0.750000 0.500000 Cs\n0.000000 0.000000 0.000000 Pd\n0.795854 0.204146 0.000000 I\n0.345785 0.345785 0.000000 I\n0.795854 0.795854 0.591707 I\n0.204146 0.795854 0.000000 I\n0.204146 0.204146 0.408293 I\n0.654215 0.654215 0.000000 I\n",
"nsites": 9,
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"elements": [
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"I"
],
"chemical_system": "Cs-I-Pd",
"density": 4.735264550306554,
"density_atomic": 0.022638920162645793,
"volume": 397.5454630936857,
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"formula_full": "Cs2 Pd1 I6",
"formula_reduced": "Cs2PdI6",
"formula_anonymous": "AB2C6",
"energy": -25.45383419,
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"updated_at": "2021-11-28T01:34:26.031000Z",
"spacegroup": 139
},
{
"id": "mp-7642",
"created_at": "2022-09-04T14:41:14.266081Z",
"structure_string": "K4 Ag2 As2\n1.0\n3.986493 -5.065121 0.000000\n3.986493 5.065121 0.000000\n0.000000 0.000000 6.133668\nK Ag As\n4 2 2\ndirect\n0.029444 0.684099 0.250000 K\n0.970556 0.315901 0.750000 K\n0.684099 0.029444 0.250000 K\n0.315901 0.970556 0.750000 K\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.759073 0.759073 0.750000 As\n0.240927 0.240927 0.250000 As\n",
"nsites": 8,
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"As"
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"density": 3.4991767400271727,
"density_atomic": 0.03229675550885989,
"volume": 247.70289999580234,
"volume_molar": 18.646271630436562,
"formula_full": "K4 Ag2 As2",
"formula_reduced": "K2AgAs",
"formula_anonymous": "ABC2",
"energy": -22.62423002,
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"total_magnetization": 0.0006747,
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"updated_at": "2021-11-28T01:35:11.148000Z",
"spacegroup": 63
},
{
"id": "mp-1112018",
"created_at": "2022-09-04T14:39:43.721835Z",
"structure_string": "K2 In1 Sb1 I6\n1.0\n0.000000 6.239917 6.239917\n6.239917 0.000000 6.239917\n6.239917 6.239917 0.000000\nK In Sb I\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 Sb\n0.756446 0.243554 0.243554 I\n0.243554 0.243554 0.756446 I\n0.243554 0.756446 0.756446 I\n0.243554 0.756446 0.243554 I\n0.756446 0.243554 0.756446 I\n0.756446 0.756446 0.243554 I\n",
"nsites": 10,
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"elements": [
"K",
"In",
"Sb",
"I"
],
"chemical_system": "I-In-K-Sb",
"density": 3.6776993553003896,
"density_atomic": 0.020579440601587336,
"volume": 485.921857333123,
"volume_molar": 29.26289823220705,
"formula_full": "K2 In1 Sb1 I6",
"formula_reduced": "K2InSbI6",
"formula_anonymous": "ABC2D6",
"energy": -28.28013642,
"energy_per_atom": -2.828013642,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.287000Z",
"spacegroup": 225
},
{
"id": "mp-2410",
"created_at": "2022-09-04T14:40:36.735779Z",
"structure_string": "Sr1 Ag5\n1.0\n2.883674 -4.994669 0.000000\n2.883674 4.994669 0.000000\n0.000000 0.000000 4.692226\nSr Ag\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.333333 0.666667 0.000000 Ag\n",
"nsites": 6,
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"elements": [
"Sr",
"Ag"
],
"chemical_system": "Ag-Sr",
"density": 7.702431281008088,
"density_atomic": 0.044390440921672186,
"volume": 135.16423525927843,
"volume_molar": 13.566300840818831,
"formula_full": "Sr1 Ag5",
"formula_reduced": "SrAg5",
"formula_anonymous": "AB5",
"energy": -16.96795508,
"energy_per_atom": -2.8279925133333332,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:03.114000Z",
"spacegroup": 191
},
{
"id": "mp-1038936",
"created_at": "2022-09-04T14:44:09.535554Z",
"structure_string": "Mg2 Bi2\n1.0\n1.782752 5.910525 0.000000\n-1.782752 5.910525 0.000000\n0.000000 1.058922 5.217804\nMg Bi\n2 2\ndirect\n0.872898 0.872898 0.791443 Mg\n0.127102 0.127102 0.208557 Mg\n0.618449 0.618449 0.721976 Bi\n0.381551 0.381551 0.278024 Bi\n",
"nsites": 4,
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"elements": [
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"Bi"
],
"chemical_system": "Bi-Mg",
"density": 7.045825852347981,
"density_atomic": 0.03637686290522232,
"volume": 109.96000425934899,
"volume_molar": 16.55486559049998,
"formula_full": "Mg2 Bi2",
"formula_reduced": "MgBi",
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"energy": -11.31061217,
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"updated_at": "2021-11-28T01:36:32.326000Z",
"spacegroup": 12
},
{
"id": "mp-505222",
"created_at": "2022-09-04T14:42:42.934411Z",
"structure_string": "Cd4 In4 Br12\n1.0\n4.199104 0.000000 0.000000\n0.000000 9.600932 0.000000\n0.000000 0.000000 15.681056\nCd In Br\n4 4 12\ndirect\n0.750000 0.332924 0.056343 Cd\n0.250000 0.667076 0.943657 Cd\n0.750000 0.832924 0.443657 Cd\n0.250000 0.167076 0.556343 Cd\n0.750000 0.058478 0.822287 In\n0.250000 0.941522 0.177713 In\n0.750000 0.558478 0.677713 In\n0.250000 0.441522 0.322287 In\n0.750000 0.834090 0.005734 Br\n0.250000 0.165910 0.994266 Br\n0.750000 0.334090 0.494266 Br\n0.250000 0.665910 0.505734 Br\n0.750000 0.212075 0.213277 Br\n0.250000 0.787925 0.786723 Br\n0.750000 0.712075 0.286723 Br\n0.250000 0.287925 0.713277 Br\n0.750000 0.477540 0.896374 Br\n0.250000 0.522460 0.103626 Br\n0.750000 0.977540 0.603626 Br\n0.250000 0.022460 0.396374 Br\n",
"nsites": 20,
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"elements": [
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"density": 4.9059799311838015,
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"volume": 632.186664579506,
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"formula_full": "Cd4 In4 Br12",
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{
"id": "mp-570301",
"created_at": "2022-09-04T14:47:20.672871Z",
"structure_string": "Ag2 Br2\n1.0\n4.154709 0.000000 0.000000\n0.000000 4.112159 0.000000\n0.000000 0.117163 5.844617\nAg Br\n2 2\ndirect\n0.750000 0.791475 0.239883 Ag\n0.250000 0.208525 0.760117 Ag\n0.250000 0.276868 0.255405 Br\n0.750000 0.723132 0.744595 Br\n",
"nsites": 4,
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"volume": 99.85425283174813,
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"formula_full": "Ag2 Br2",
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"updated_at": "2021-11-28T01:38:06.915000Z",
"spacegroup": 11
},
{
"id": "mp-1228677",
"created_at": "2022-09-04T14:43:24.947112Z",
"structure_string": "Au1 Cl1\n1.0\n-2.248431 2.710159 -2.857094\n2.248431 -2.647168 -2.746518\n-2.248431 -2.647168 -2.746518\nAu Cl\n1 1\ndirect\n0.003874 0.103116 0.099242 Au\n0.056126 0.706884 0.650758 Cl\n",
"nsites": 2,
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"elements": [
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],
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"density": 5.719088122615026,
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"volume": 67.48309623709106,
"volume_molar": 20.319635223019436,
"formula_full": "Au1 Cl1",
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"spacegroup": 8
},
{
"id": "mp-1023248",
"created_at": "2022-09-04T14:42:00.337640Z",
"structure_string": "Ce1 Mg6 Mn1\n1.0\n6.631559 0.551983 0.000000\n-2.837748 4.915124 0.000000\n0.000000 0.000000 5.081520\nCe Mg Mn\n1 6 1\ndirect\n0.135890 0.817945 0.250000 Ce\n0.639730 0.320261 0.250000 Mg\n0.639730 0.819469 0.250000 Mg\n0.343484 0.179024 0.750000 Mg\n0.343484 0.664461 0.750000 Mg\n0.906365 0.203183 0.750000 Mg\n0.818463 0.659232 0.750000 Mg\n0.172853 0.336426 0.250000 Mn\n",
"nsites": 8,
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"elements": [
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"density": 3.260824650526866,
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"volume": 173.59144835085593,
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"formula_full": "Ce1 Mg6 Mn1",
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"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:35:34.618000Z",
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}
]
}