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{
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"results": [
{
"id": "mp-1186142",
"created_at": "2022-09-04T14:40:20.953692Z",
"structure_string": "Na1 Hg3\n1.0\n0.000000 3.740925 3.740925\n3.740925 0.000000 3.740925\n3.740925 3.740925 0.000000\nNa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "mp-1186137",
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"formula_full": "Na1 Hg3",
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"updated_at": "2021-11-28T01:35:55.803000Z",
"spacegroup": 221
},
{
"id": "mp-1095958",
"created_at": "2022-09-04T14:47:06.586669Z",
"structure_string": "Ca1 Sn1 Hg2\n1.0\n-5.966625 6.393292 9.022291\n5.966625 -6.393292 9.022291\n5.966625 6.393292 -9.022291\nCa Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.259646 0.259646 Hg\n0.000000 0.740354 0.740354 Hg\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.002905560251634056,
"volume": 1376.6708151209195,
"volume_molar": 207.26263572105285,
"formula_full": "Ca1 Sn1 Hg2",
"formula_reduced": "CaSnHg2",
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"energy_uncorrected": -2.96923094,
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"is_gap_direct": true,
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"total_magnetization": 1.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.943000Z",
"spacegroup": 71
},
{
"id": "mp-758433",
"created_at": "2022-09-04T14:46:03.033390Z",
"structure_string": "Ag1 Hg1\n1.0\n3.453205 0.000000 0.000000\n0.000000 3.453205 0.000000\n0.000000 0.000000 3.453205\nAg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Ag-Hg",
"density": 12.438795681727514,
"density_atomic": 0.048569419458539216,
"volume": 41.17817388588059,
"volume_molar": 12.399037969026454,
"formula_full": "Ag1 Hg1",
"formula_reduced": "AgHg",
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"energy": -2.96551846,
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"energy_above_hull": null,
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"energy_uncorrected": -2.96551846,
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"is_magnetic": false,
"total_magnetization": 9e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.330000Z",
"spacegroup": 221
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{
"id": "mp-2012",
"created_at": "2022-09-04T14:42:43.560617Z",
"structure_string": "Li1 Hg1\n1.0\n3.344811 0.000000 0.000000\n0.000000 3.344811 0.000000\n0.000000 0.000000 3.344811\nLi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Li",
"density": 9.209102945277461,
"density_atomic": 0.05344600491392296,
"volume": 37.420944806278484,
"volume_molar": 11.26770984978,
"formula_full": "Li1 Hg1",
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"energy": -2.96021147,
"energy_per_atom": -1.480105735,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:47.928000Z",
"spacegroup": 221
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{
"id": "mp-13141",
"created_at": "2022-09-04T14:48:07.767680Z",
"structure_string": "Hg1 Te1\n1.0\n3.810819 0.000000 0.000000\n0.000000 3.810819 0.000000\n0.000000 0.000000 3.810819\nHg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
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"elements": [
"Hg",
"Te"
],
"chemical_system": "Hg-Te",
"density": 9.847352305025527,
"density_atomic": 0.036138908385184035,
"volume": 55.34201472504758,
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"formula_full": "Hg1 Te1",
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"formula_anonymous": "AB",
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"energy_per_atom": -1.6809551500000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.313000Z",
"spacegroup": 221
},
{
"id": "mp-1096751",
"created_at": "2022-09-04T14:42:12.959266Z",
"structure_string": "Ca2 In1 Hg1\n1.0\n-9.307240 9.307240 6.385406\n9.307240 -9.307240 6.385406\n9.307240 9.307240 -6.385406\nCa In Hg\n2 1 1\ndirect\n0.242795 0.242795 0.000000 Ca\n0.757205 0.757205 0.000000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"In",
"Hg"
],
"chemical_system": "Ca-Hg-In",
"density": 0.29687629687682876,
"density_atomic": 0.0018078802405857432,
"volume": 2212.5359358449664,
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"formula_full": "Ca2 In1 Hg1",
"formula_reduced": "Ca2InHg",
"formula_anonymous": "ABC2",
"energy": -2.9216728,
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"energy_above_hull": null,
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"energy_uncorrected": -2.9216728,
"band_gap": 0.0,
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"total_magnetization": 1.5956939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.837000Z",
"spacegroup": 139
},
{
"id": "mp-1097562",
"created_at": "2022-09-04T14:48:28.274140Z",
"structure_string": "Ca1 Hg2 Pb1\n1.0\n-6.030871 6.304210 8.885748\n6.030871 -6.304210 8.885748\n6.030871 6.304210 -8.885748\nCa Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.256100 0.256100 Hg\n0.000000 0.743900 0.743900 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
"Ca",
"Hg",
"Pb"
],
"chemical_system": "Ca-Hg-Pb",
"density": 0.7968310623763107,
"density_atomic": 0.002960024440274489,
"volume": 1351.3401935387642,
"volume_molar": 203.449021503402,
"formula_full": "Ca1 Hg2 Pb1",
"formula_reduced": "CaHg2Pb",
"formula_anonymous": "ABC2",
"energy": -2.92022167,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:39:15.845000Z",
"spacegroup": 71
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{
"id": "mp-1226878",
"created_at": "2022-09-04T14:44:58.594015Z",
"structure_string": "Cd3 Hg1\n1.0\n1.568479 -2.716685 0.000000\n1.568479 2.716685 0.000000\n0.000000 0.000000 11.233184\nCd Hg\n3 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.755098 Cd\n0.333333 0.666667 0.244902 Cd\n0.000000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Cd-Hg",
"density": 9.329053995891355,
"density_atomic": 0.041783915035476814,
"volume": 95.73061778925653,
"volume_molar": 14.41258138421657,
"formula_full": "Cd3 Hg1",
"formula_reduced": "Cd3Hg",
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"energy": -2.90980997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.288000Z",
"spacegroup": 187
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{
"id": "mp-119",
"created_at": "2022-09-04T14:43:00.408254Z",
"structure_string": "Se1\n1.0\n-1.723875 1.723875 1.723875\n1.723875 -1.723875 1.723875\n1.723875 1.723875 -1.723875\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
"nsites": 1,
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"elements": [
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"density": 6.398511154134527,
"density_atomic": 0.04880032274309051,
"volume": 20.49166775524219,
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"formula_full": "Se1",
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"energy": -2.90028467,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:57.071000Z",
"spacegroup": 229
},
{
"id": "mp-1096281",
"created_at": "2022-09-04T14:48:04.301733Z",
"structure_string": "Li1 Al1 Hg2\n1.0\n-5.474413 5.542937 7.827661\n5.474413 -5.542937 7.827661\n5.474413 5.542937 -7.827661\nLi Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.245915 0.245915 Hg\n0.000000 0.754085 0.754085 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.7604509618157509,
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"volume": 950.1004004215981,
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"formula_full": "Li1 Al1 Hg2",
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"updated_at": "2021-11-28T01:38:26.691000Z",
"spacegroup": 71
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{
"id": "mp-571292",
"created_at": "2022-09-04T14:40:26.833428Z",
"structure_string": "Zn1 I2\n1.0\n2.790365 -4.833053 0.000000\n2.790365 4.833053 0.000000\n0.000000 0.000000 4.187822\nZn I\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.500000 I\n0.666667 0.333333 0.500000 I\n",
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"density": 4.692838459191908,
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"volume": 112.95378367250507,
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"formula_full": "Zn1 I2",
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"updated_at": "2021-11-28T01:35:07.619000Z",
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]
}