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{
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"results": [
{
"id": "mp-1097125",
"created_at": "2022-09-04T14:48:27.451060Z",
"structure_string": "In2 Sn1 Hg1\n1.0\n-5.796529 6.153839 8.533711\n5.796529 -6.153839 8.533711\n5.796529 6.153839 -8.533711\nIn Sn Hg\n2 1 1\ndirect\n0.000000 0.239687 0.239687 In\n0.000000 0.760313 0.760313 In\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Hg\n",
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"elements": [
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"volume": 1217.620819323235,
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{
"id": "mp-1096616",
"created_at": "2022-09-04T14:42:24.587774Z",
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"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Mg-Zr",
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"updated_at": "2021-11-28T01:35:47.892000Z",
"spacegroup": 71
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{
"id": "mp-1097339",
"created_at": "2022-09-04T14:47:17.017798Z",
"structure_string": "Cd1 In2 Bi1\n1.0\n-5.712744 6.150606 8.683020\n5.712744 -6.150606 8.683020\n5.712744 6.150606 -8.683020\nCd In Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.257404 0.257404 In\n0.000000 0.742596 0.742596 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Bi-Cd-In",
"density": 0.7497713290808158,
"density_atomic": 0.003277679827244395,
"volume": 1220.3754517911143,
"volume_molar": 183.7318187683671,
"formula_full": "Cd1 In2 Bi1",
"formula_reduced": "CdIn2Bi",
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"updated_at": "2021-11-28T01:37:59.961000Z",
"spacegroup": 71
},
{
"id": "mp-1095767",
"created_at": "2022-09-04T14:46:58.738599Z",
"structure_string": "Mg2 Hg1 Pb1\n1.0\n-5.579237 6.044697 9.049839\n5.579237 -6.044697 9.049839\n5.579237 6.044697 -9.049839\nMg Hg Pb\n2 1 1\ndirect\n0.000000 0.249307 0.249307 Mg\n0.000000 0.750693 0.750693 Mg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Mg-Pb",
"density": 0.6207897572676656,
"density_atomic": 0.0032764971971288833,
"volume": 1220.8159382846734,
"volume_molar": 183.79813556004441,
"formula_full": "Mg2 Hg1 Pb1",
"formula_reduced": "Mg2HgPb",
"formula_anonymous": "ABC2",
"energy": -3.2177466,
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"energy_uncorrected": -3.2177466,
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"updated_at": "2021-11-28T01:37:46.336000Z",
"spacegroup": 71
},
{
"id": "mp-1096481",
"created_at": "2022-09-04T14:41:50.142266Z",
"structure_string": "Mg1 Zn2 Ru1\n1.0\n-5.308028 5.864062 9.805868\n5.308028 -5.864062 9.805868\n5.308028 5.864062 -9.805868\nMg Zn Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.266702 0.266702 Zn\n0.000000 0.733298 0.733298 Zn\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Ru-Zn",
"density": 0.3484484717746915,
"density_atomic": 0.0032762889623982605,
"volume": 1220.8935310370118,
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"formula_full": "Mg1 Zn2 Ru1",
"formula_reduced": "MgZn2Ru",
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"energy": -5.88521629,
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"energy_uncorrected": -5.88521629,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:26.925000Z",
"spacegroup": 71
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{
"id": "mp-1095959",
"created_at": "2022-09-04T14:42:27.085966Z",
"structure_string": "Sc2 Tl1 Rh1\n1.0\n-5.192000 6.327778 9.291301\n5.192000 -6.327778 9.291301\n5.192000 6.327778 -9.291301\nSc Tl Rh\n2 1 1\ndirect\n0.000000 0.218552 0.218552 Sc\n0.000000 0.781448 0.781448 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Rh-Sc-Tl",
"density": 0.5401776119199754,
"density_atomic": 0.003275952170213027,
"volume": 1221.0190479490088,
"volume_molar": 183.828714434753,
"formula_full": "Sc2 Tl1 Rh1",
"formula_reduced": "Sc2TlRh",
"formula_anonymous": "ABC2",
"energy": -15.25368354,
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"energy_uncorrected": -15.25368354,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.680000Z",
"spacegroup": 71
},
{
"id": "mp-1096659",
"created_at": "2022-09-04T14:39:26.459910Z",
"structure_string": "Zr1 Sc2 Tl1\n1.0\n-5.415016 6.316527 8.937099\n5.415016 -6.316527 8.937099\n5.415016 6.316527 -8.937099\nZr Sc Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.229159 0.229159 Sc\n0.000000 0.770841 0.770841 Sc\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Sc",
"Tl"
],
"chemical_system": "Sc-Tl-Zr",
"density": 0.5235526506816851,
"density_atomic": 0.003271337334503587,
"volume": 1222.7415246391838,
"volume_molar": 184.08803936185433,
"formula_full": "Zr1 Sc2 Tl1",
"formula_reduced": "ZrSc2Tl",
"formula_anonymous": "ABC2",
"energy": -13.17641674,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 2.0369417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.785000Z",
"spacegroup": 71
},
{
"id": "mp-1097373",
"created_at": "2022-09-04T14:41:15.877396Z",
"structure_string": "Sc1 In1 Hg2\n1.0\n-5.654363 6.186409 8.739424\n5.654363 -6.186409 8.739424\n5.654363 6.186409 -8.739424\nSc In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.248956 0.248956 Hg\n0.000000 0.751044 0.751044 Hg\n",
"nsites": 4,
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"elements": [
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"In",
"Hg"
],
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"density": 0.7617477186750029,
"density_atomic": 0.003271107938760602,
"volume": 1222.827272864487,
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"formula_full": "Sc1 In1 Hg2",
"formula_reduced": "ScInHg2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:25.531000Z",
"spacegroup": 71
},
{
"id": "mp-1097144",
"created_at": "2022-09-04T14:43:21.792511Z",
"structure_string": "Li1 Tl1 Hg2\n1.0\n-5.786293 5.840750 9.047056\n5.786293 -5.840750 9.047056\n5.786293 5.840750 -9.047056\nLi Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Tl\n0.768348 0.000000 0.768348 Hg\n0.231652 0.000000 0.231652 Hg\n",
"nsites": 4,
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"elements": [
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"Tl",
"Hg"
],
"chemical_system": "Hg-Li-Tl",
"density": 0.8316142656620669,
"density_atomic": 0.003270571760930784,
"volume": 1223.027743278021,
"volume_molar": 184.13113058513466,
"formula_full": "Li1 Tl1 Hg2",
"formula_reduced": "LiTlHg2",
"formula_anonymous": "ABC2",
"energy": -2.59558751,
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"updated_at": "2021-11-28T01:36:15.572000Z",
"spacegroup": 71
},
{
"id": "mp-1095789",
"created_at": "2022-09-04T14:46:54.738068Z",
"structure_string": "Sc2 Zn1 In1\n1.0\n-5.782737 6.157690 8.590340\n5.782737 -6.157690 8.590340\n5.782737 6.157690 -8.590340\nSc Zn In\n2 1 1\ndirect\n0.000000 0.247533 0.247533 Sc\n0.000000 0.752467 0.752467 Sc\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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],
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"volume": 1223.5496770535754,
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"formula_full": "Sc2 Zn1 In1",
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"updated_at": "2021-11-28T01:37:51.035000Z",
"spacegroup": 71
},
{
"id": "mp-1097469",
"created_at": "2022-09-04T14:44:26.210099Z",
"structure_string": "Sr1 La1 Pt2\n1.0\n-5.583728 6.224308 8.806736\n5.583728 -6.224308 8.806736\n5.583728 6.224308 -8.806736\nSr La Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 La\n0.000000 0.281208 0.281208 Pt\n0.000000 0.718792 0.718792 Pt\n",
"nsites": 4,
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"volume": 1224.3069031659106,
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"formula_full": "Sr1 La1 Pt2",
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"updated_at": "2021-11-28T01:36:27.524000Z",
"spacegroup": 71
},
{
"id": "mp-1256664",
"created_at": "2022-09-04T14:48:06.757382Z",
"structure_string": "Si2 Tc1 Ru1\n1.0\n-7.904038 0.002178 -4.559843\n-9.870856 -0.286028 7.965260\n-5.791506 11.252115 0.899616\nSi Tc Ru\n2 1 1\ndirect\n0.748204 0.999950 0.999950 Si\n0.251796 0.000050 0.000050 Si\n0.000000 0.000000 0.000000 Tc\n0.500000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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],
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"volume": 1224.3663814046106,
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"formula_full": "Si2 Tc1 Ru1",
"formula_reduced": "Si2TcRu",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:23.196000Z",
"spacegroup": 71
}
]
}