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{
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"results": [
{
"id": "mp-1210811",
"created_at": "2022-09-04T14:47:58.287691Z",
"structure_string": "Na9 Hg1\n1.0\n6.675720 -11.568252 0.000000\n6.675720 11.568252 0.000000\n0.000000 0.000000 32.897133\nNa Hg\n9 1\ndirect\n0.000000 0.000000 0.248294 Na\n0.000000 0.000000 0.751706 Na\n0.252157 0.996765 0.000000 Na\n0.747843 0.003235 0.000000 Na\n0.996765 0.252157 0.000000 Na\n0.003235 0.747843 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 10,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Na",
"density": 0.13317435370757058,
"density_atomic": 0.0019680951917459485,
"volume": 5081.055043444692,
"volume_molar": 305.98828680931854,
"formula_full": "Na9 Hg1",
"formula_reduced": "Na9Hg",
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"updated_at": "2021-11-28T01:38:24.711000Z",
"spacegroup": 65
},
{
"id": "mp-1096498",
"created_at": "2022-09-04T14:44:43.711218Z",
"structure_string": "Ba2 Na1 Mg1\n1.0\n-7.323016 7.512237 10.373433\n7.323016 -7.512237 10.373433\n7.323016 7.512237 -10.373433\nBa Na Mg\n2 1 1\ndirect\n0.740948 0.000000 0.740948 Ba\n0.259052 0.000000 0.259052 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Na",
"Mg"
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"chemical_system": "Ba-Mg-Na",
"density": 0.23420389057920193,
"density_atomic": 0.0017523394162980775,
"volume": 2282.662800823279,
"volume_molar": 343.6629173543408,
"formula_full": "Ba2 Na1 Mg1",
"formula_reduced": "Ba2NaMg",
"formula_anonymous": "ABC2",
"energy": -1.68091375,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1.68091375,
"band_gap": 0.1331,
"is_gap_direct": true,
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"total_magnetization": 0.9997494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.729000Z",
"spacegroup": 71
},
{
"id": "mp-1183650",
"created_at": "2022-09-04T14:46:23.762641Z",
"structure_string": "Cd1 Hg3\n1.0\n-2.327198 2.327198 5.140748\n2.327198 -2.327198 5.140748\n2.327198 2.327198 -5.140748\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 10.648891766929818,
"density_atomic": 0.03591757561773172,
"volume": 111.36609114634362,
"volume_molar": 16.766556919356777,
"formula_full": "Cd1 Hg3",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy": -1.6781049,
"energy_per_atom": -0.419526225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.6781049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.546000Z",
"spacegroup": 139
},
{
"id": "mp-1096326",
"created_at": "2022-09-04T14:40:34.120689Z",
"structure_string": "K1 Na1 Hg2\n1.0\n-6.443670 6.736404 9.057524\n6.443670 -6.736404 9.057524\n6.443670 6.736404 -9.057524\nK Na Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Na\n0.237187 0.000000 0.237187 Hg\n0.762813 0.000000 0.762813 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Hg"
],
"chemical_system": "Hg-K-Na",
"density": 0.4891595810297792,
"density_atomic": 0.002543484472530325,
"volume": 1572.6457319476754,
"volume_molar": 236.76734908505324,
"formula_full": "K1 Na1 Hg2",
"formula_reduced": "KNaHg2",
"formula_anonymous": "ABC2",
"energy": -1.67575721,
"energy_per_atom": -0.4189393025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.67575721,
"band_gap": 0.0516,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.073000Z",
"spacegroup": 71
},
{
"id": "mp-1183639",
"created_at": "2022-09-04T14:42:01.708940Z",
"structure_string": "Cd1 Hg3\n1.0\n0.000000 3.863088 3.863088\n3.863088 0.000000 3.863088\n3.863088 3.863088 0.000000\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 10.28545692719009,
"density_atomic": 0.03469174868435934,
"volume": 115.30119269552378,
"volume_molar": 17.359000305208202,
"formula_full": "Cd1 Hg3",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy": -1.66540081,
"energy_per_atom": -0.4163502025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.66540081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.478000Z",
"spacegroup": 225
},
{
"id": "mp-1097677",
"created_at": "2022-09-04T14:40:54.469316Z",
"structure_string": "Na1 Mg2 Cd1\n1.0\n-6.243948 6.313858 8.926340\n6.243948 -6.313858 8.926340\n6.243948 6.313858 -8.926340\nNa Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.254479 0.254479 Mg\n0.000000 0.745521 0.745521 Mg\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 0.217072513164477,
"density_atomic": 0.0028416624417585573,
"volume": 1407.6267262499368,
"volume_molar": 211.92315707537767,
"formula_full": "Na1 Mg2 Cd1",
"formula_reduced": "NaMg2Cd",
"formula_anonymous": "ABC2",
"energy": -1.66518687,
"energy_per_atom": -0.4162967175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.66518687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.138000Z",
"spacegroup": 71
},
{
"id": "mp-1097635",
"created_at": "2022-09-04T14:42:55.484195Z",
"structure_string": "Na1 Sr2 Ca1\n1.0\n-7.366532 7.582652 10.417916\n7.366532 -7.582652 10.417916\n7.366532 7.582652 -10.417916\nNa Sr Ca\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.249337 0.000000 0.249337 Sr\n0.750663 0.000000 0.750663 Sr\n0.500000 0.000000 0.500000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Ca"
],
"chemical_system": "Ca-Na-Sr",
"density": 0.17000521804033777,
"density_atomic": 0.0017184422587990368,
"volume": 2327.689498741418,
"volume_molar": 350.44184517486656,
"formula_full": "Na1 Sr2 Ca1",
"formula_reduced": "NaSr2Ca",
"formula_anonymous": "ABC2",
"energy": -1.66057005,
"energy_per_atom": -0.4151425125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1.66057005,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0023215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.094000Z",
"spacegroup": 71
},
{
"id": "mp-971803",
"created_at": "2022-09-04T14:48:28.048226Z",
"structure_string": "Zn1 Hg3\n1.0\n4.563231 0.000000 0.000000\n0.000000 4.563231 0.000000\n0.000000 0.000000 4.563231\nZn Hg\n1 3\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 11.659343649272289,
"density_atomic": 0.04209617427970265,
"volume": 95.02051120898805,
"volume_molar": 14.305672339692096,
"formula_full": "Zn1 Hg3",
"formula_reduced": "ZnHg3",
"formula_anonymous": "AB3",
"energy": -1.65840587,
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"energy_above_hull": null,
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"energy_uncorrected": -1.65840587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:18.608000Z",
"spacegroup": 221
},
{
"id": "mp-1097590",
"created_at": "2022-09-04T14:41:03.030645Z",
"structure_string": "Cd1 In1 Hg2\n1.0\n-6.047472 6.318742 8.554543\n6.047472 -6.318742 8.554543\n6.047472 6.318742 -8.554543\nCd In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n0.248016 0.000000 0.248016 Hg\n0.751984 0.000000 0.751984 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"In",
"Hg"
],
"chemical_system": "Cd-Hg-In",
"density": 0.7980501792520864,
"density_atomic": 0.003059135381358406,
"volume": 1307.55899996286,
"volume_molar": 196.85760874452944,
"formula_full": "Cd1 In1 Hg2",
"formula_reduced": "CdInHg2",
"formula_anonymous": "ABC2",
"energy": -1.64170846,
"energy_per_atom": -0.410427115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -1.64170846,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.0001024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.929000Z",
"spacegroup": 71
},
{
"id": "mp-1093775",
"created_at": "2022-09-04T14:40:18.098598Z",
"structure_string": "Na1 Ca1 Hg2\n1.0\n-5.993736 6.482277 8.469417\n5.993736 -6.482277 8.469417\n5.993736 6.482277 -8.469417\nNa Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Ca\n0.761102 0.000000 0.761102 Hg\n0.238898 0.000000 0.238898 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ca",
"Hg"
],
"chemical_system": "Ca-Hg-Na",
"density": 0.5856797655983741,
"density_atomic": 0.003038934141056762,
"volume": 1316.25096640266,
"volume_molar": 198.16621487907125,
"formula_full": "Na1 Ca1 Hg2",
"formula_reduced": "NaCaHg2",
"formula_anonymous": "ABC2",
"energy": -1.62282907,
"energy_per_atom": -0.4057072675,
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"band_gap": 0.1912,
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"total_magnetization": 0.0303226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.177000Z",
"spacegroup": 71
},
{
"id": "mp-1097142",
"created_at": "2022-09-04T14:39:36.485796Z",
"structure_string": "Tl1 Cd1 Hg2\n1.0\n-6.169624 6.379022 8.707005\n6.169624 -6.379022 8.707005\n6.169624 6.379022 -8.707005\nTl Cd Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.756312 0.000000 0.756312 Hg\n0.243688 0.000000 0.243688 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Tl",
"density": 0.8697940128454761,
"density_atomic": 0.0029182225488410115,
"volume": 1370.6973793306554,
"volume_molar": 206.36331394230803,
"formula_full": "Tl1 Cd1 Hg2",
"formula_reduced": "TlCdHg2",
"formula_anonymous": "ABC2",
"energy": -1.5850447,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 1.0001542,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.408000Z",
"spacegroup": 71
},
{
"id": "mp-1096507",
"created_at": "2022-09-04T14:42:16.297035Z",
"structure_string": "Na1 Mg2 Hg1\n1.0\n-6.173545 6.218051 8.787708\n6.173545 -6.218051 8.787708\n6.173545 6.218051 -8.787708\nNa Mg Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.257820 0.257820 Mg\n0.000000 0.742180 0.742180 Mg\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Na",
"density": 0.334962653317965,
"density_atomic": 0.0029643909889146363,
"volume": 1349.349669108438,
"volume_molar": 203.14934104576096,
"formula_full": "Na1 Mg2 Hg1",
"formula_reduced": "NaMg2Hg",
"formula_anonymous": "ABC2",
"energy": -1.55699565,
"energy_per_atom": -0.3892489125,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0065122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.295000Z",
"spacegroup": 71
}
]
}