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{
"id": "mp-1094779",
"created_at": "2022-09-04T14:43:35.940200Z",
"structure_string": "Mg1 Zn1\n1.0\n3.297799 0.000000 0.000000\n0.000000 3.297799 0.000000\n0.000000 0.000000 3.297799\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n",
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{
"id": "mp-1094774",
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"structure_string": "Sr1 Mg1\n1.0\n2.025837 -3.508853 0.000000\n2.025837 3.508853 0.000000\n0.000000 0.000000 5.589380\nSr Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Mg\n",
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{
"id": "mp-1097218",
"created_at": "2022-09-04T14:42:52.462496Z",
"structure_string": "Li1 Cd2 In1\n1.0\n-5.868143 5.922758 8.383652\n5.868143 -5.922758 8.383652\n5.868143 5.922758 -8.383652\nLi Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.237874 0.237874 Cd\n0.000000 0.762126 0.762126 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"density": 0.49378277643198976,
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"volume": 1165.5151165860107,
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"formula_full": "Li1 Cd2 In1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.570000Z",
"spacegroup": 71
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{
"id": "mp-20132",
"created_at": "2022-09-04T14:43:52.014811Z",
"structure_string": "In1 Hg1\n1.0\n4.633699 -1.881122 0.000000\n4.633699 1.881122 0.000000\n3.870028 0.000000 3.167438\nIn Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"elements": [
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"density": 9.485034218796924,
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"volume": 55.21828322772298,
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"formula_full": "In1 Hg1",
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"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.303000Z",
"spacegroup": 166
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{
"id": "mp-141",
"created_at": "2022-09-04T14:40:30.459575Z",
"structure_string": "Yb2\n1.0\n1.926436 -3.336685 0.000000\n1.926436 3.336685 0.000000\n0.000000 0.000000 6.377047\nYb\n2\ndirect\n0.333333 0.666667 0.250000 Yb\n0.666667 0.333333 0.750000 Yb\n",
"nsites": 2,
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"elements": [
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"density": 7.009809111947172,
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"volume": 81.98216969838349,
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"formula_full": "Yb2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:01.842000Z",
"spacegroup": 194
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{
"id": "mp-542",
"created_at": "2022-09-04T14:45:56.986980Z",
"structure_string": "Sr1 Hg1\n1.0\n4.027534 0.000000 0.000000\n0.000000 4.027534 0.000000\n0.000000 0.000000 4.027534\nSr Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
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"chemical_system": "Hg-Sr",
"density": 7.325554382616935,
"density_atomic": 0.03061345522528674,
"volume": 65.33075032797991,
"volume_molar": 19.67154872157556,
"formula_full": "Sr1 Hg1",
"formula_reduced": "SrHg",
"formula_anonymous": "AB",
"energy": -3.0536888,
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"energy_above_hull": null,
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"energy_uncorrected": -3.0536888,
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"total_magnetization": 0.00068,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.285000Z",
"spacegroup": 221
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{
"id": "mp-1093766",
"created_at": "2022-09-04T14:42:04.973341Z",
"structure_string": "Ca2 Zn1 In1\n1.0\n-6.223460 6.789714 9.322966\n6.223460 -6.789714 9.322966\n6.223460 6.789714 -9.322966\nCa Zn In\n2 1 1\ndirect\n0.000000 0.256219 0.256219 Ca\n0.000000 0.743781 0.743781 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Zn",
"In"
],
"chemical_system": "Ca-In-Zn",
"density": 0.27438745309605744,
"density_atomic": 0.002538414360220736,
"volume": 1575.7868623356537,
"volume_molar": 237.24025731860124,
"formula_full": "Ca2 Zn1 In1",
"formula_reduced": "Ca2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.05550134,
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"energy_uncorrected": -3.05550134,
"band_gap": 0.0,
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"total_magnetization": 1.6635124,
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"updated_at": "2021-11-28T01:35:37.455000Z",
"spacegroup": 71
},
{
"id": "mp-1097309",
"created_at": "2022-09-04T14:48:11.098255Z",
"structure_string": "Ba2 In1 Hg1\n1.0\n-6.872352 7.082815 9.664029\n6.872352 -7.082815 9.664029\n6.872352 7.082815 -9.664029\nBa In Hg\n2 1 1\ndirect\n0.762761 0.000000 0.762761 Ba\n0.237239 0.000000 0.237239 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
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"chemical_system": "Ba-Hg-In",
"density": 0.5207355583039572,
"density_atomic": 0.002125839543591916,
"volume": 1881.6095561198456,
"volume_molar": 283.28294005787075,
"formula_full": "Ba2 In1 Hg1",
"formula_reduced": "Ba2InHg",
"formula_anonymous": "ABC2",
"energy": -3.05814698,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:25.337000Z",
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{
"id": "mp-1097201",
"created_at": "2022-09-04T14:42:00.666246Z",
"structure_string": "Cd1 In2 Hg1\n1.0\n-6.093363 6.119091 8.625274\n6.093363 -6.119091 8.625274\n6.093363 6.119091 -8.625274\nCd In Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750284 0.000000 0.750284 In\n0.249716 0.000000 0.249716 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"In",
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"density": 0.7004572680600556,
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"volume": 1286.40243819323,
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"formula_full": "Cd1 In2 Hg1",
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"updated_at": "2021-11-28T01:35:38.003000Z",
"spacegroup": 71
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{
"id": "mp-1178932",
"created_at": "2022-09-04T14:47:08.133102Z",
"structure_string": "Te1\n1.0\n2.157882 -2.358491 0.000000\n2.157882 2.358491 0.000000\n-0.419868 0.000000 3.169014\nTe\n1\ndirect\n0.000000 0.000000 0.000000 Te\n",
"nsites": 1,
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"elements": [
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"density": 6.568764661121117,
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"volume": 32.256412861348686,
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"formula_full": "Te1",
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"energy": -3.08921044,
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"updated_at": "2021-11-28T01:37:50.979000Z",
"spacegroup": 166
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{
"id": "mp-10654",
"created_at": "2022-09-04T14:40:09.085617Z",
"structure_string": "Te1\n1.0\n3.197462 0.000000 0.000000\n0.000000 3.197462 0.000000\n0.000000 0.000000 3.197462\nTe\n1\ndirect\n0.500000 0.500000 0.500000 Te\n",
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"updated_at": "2021-11-28T01:34:47.250000Z",
"spacegroup": 221
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{
"id": "mp-1093779",
"created_at": "2022-09-04T14:40:07.568343Z",
"structure_string": "K1 Na2 Tl1\n1.0\n-6.988985 7.105538 10.012567\n6.988985 -7.105538 10.012567\n6.988985 7.105538 -10.012567\nK Na Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.261422 0.261422 Na\n0.000000 0.738578 0.738578 Na\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"density": 0.2416700668348954,
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"volume": 1988.916273895744,
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"formula_full": "K1 Na2 Tl1",
"formula_reduced": "KNa2Tl",
"formula_anonymous": "ABC2",
"energy": -3.10075358,
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"updated_at": "2021-11-28T01:34:54.614000Z",
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}