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{
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"results": [
{
"id": "mp-11953",
"created_at": "2022-09-04T14:46:19.464814Z",
"structure_string": "Rb3 Hg33\n1.0\n10.450851 0.000000 0.000000\n0.000000 10.450851 0.000000\n0.000000 0.000000 10.450851\nRb Hg\n3 33\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.500000 0.500000 Hg\n0.153028 0.153028 0.153028 Hg\n0.153028 0.846972 0.153028 Hg\n0.153028 0.153028 0.846972 Hg\n0.846972 0.153028 0.153028 Hg\n0.846972 0.846972 0.153028 Hg\n0.153028 0.846972 0.846972 Hg\n0.846972 0.153028 0.846972 Hg\n0.846972 0.846972 0.846972 Hg\n0.268725 0.500000 0.268725 Hg\n0.268725 0.731275 0.500000 Hg\n0.268725 0.268725 0.500000 Hg\n0.268725 0.500000 0.731275 Hg\n0.731275 0.500000 0.268725 Hg\n0.500000 0.268725 0.268725 Hg\n0.500000 0.731275 0.268725 Hg\n0.500000 0.268725 0.731275 Hg\n0.731275 0.731275 0.500000 Hg\n0.731275 0.268725 0.500000 Hg\n0.500000 0.731275 0.731275 Hg\n0.731275 0.500000 0.731275 Hg\n0.345563 0.345563 0.000000 Hg\n0.345563 0.000000 0.345563 Hg\n0.345563 0.000000 0.654437 Hg\n0.000000 0.345563 0.654437 Hg\n0.000000 0.345563 0.345563 Hg\n0.654437 0.345563 0.000000 Hg\n0.345563 0.654437 0.000000 Hg\n0.654437 0.000000 0.345563 Hg\n0.000000 0.654437 0.654437 Hg\n0.654437 0.000000 0.654437 Hg\n0.000000 0.654437 0.345563 Hg\n0.654437 0.654437 0.000000 Hg\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 10.002809579954729,
"density_atomic": 0.031538971951463116,
"volume": 1141.4449416868179,
"volume_molar": 19.094283635077804,
"formula_full": "Rb3 Hg33",
"formula_reduced": "RbHg11",
"formula_anonymous": "AB11",
"energy": -16.31962037,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.2281884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.658000Z",
"spacegroup": 221
},
{
"id": "mp-11952",
"created_at": "2022-09-04T14:39:39.859737Z",
"structure_string": "K3 Hg33\n1.0\n10.378871 0.000000 0.000000\n0.000000 10.378871 0.000000\n0.000000 0.000000 10.378871\nK Hg\n3 33\ndirect\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.152828 0.152828 0.847172 Hg\n0.847172 0.152828 0.152828 Hg\n0.847172 0.847172 0.152828 Hg\n0.152828 0.847172 0.847172 Hg\n0.847172 0.152828 0.847172 Hg\n0.847172 0.847172 0.847172 Hg\n0.344988 0.344988 0.000000 Hg\n0.344988 0.000000 0.344988 Hg\n0.344988 0.000000 0.655012 Hg\n0.000000 0.344988 0.655012 Hg\n0.000000 0.344988 0.344988 Hg\n0.655012 0.344988 0.000000 Hg\n0.344988 0.655012 0.000000 Hg\n0.655012 0.000000 0.344988 Hg\n0.000000 0.655012 0.655012 Hg\n0.655012 0.000000 0.655012 Hg\n0.000000 0.655012 0.344988 Hg\n0.655012 0.655012 0.000000 Hg\n0.267537 0.267537 0.500000 Hg\n0.267537 0.500000 0.267537 Hg\n0.267537 0.500000 0.732463 Hg\n0.500000 0.267537 0.732463 Hg\n0.500000 0.267537 0.267537 Hg\n0.732463 0.267537 0.500000 Hg\n0.267537 0.732463 0.500000 Hg\n0.732463 0.500000 0.267537 Hg\n0.500000 0.732463 0.732463 Hg\n0.732463 0.500000 0.732463 Hg\n0.500000 0.732463 0.267537 Hg\n0.732463 0.732463 0.500000 Hg\n0.152828 0.847172 0.152828 Hg\n0.152828 0.152828 0.152828 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 36,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 10.005761501093845,
"density_atomic": 0.03219972469115514,
"volume": 1118.0219814080817,
"volume_molar": 18.70246040225992,
"formula_full": "K3 Hg33",
"formula_reduced": "KHg11",
"formula_anonymous": "AB11",
"energy": -16.31638997,
"energy_per_atom": -0.4532330547222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -16.31638997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5012842,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.520000Z",
"spacegroup": 221
},
{
"id": "mp-1097453",
"created_at": "2022-09-04T14:41:54.930994Z",
"structure_string": "Ba2 Na1 Cd1\n1.0\n-7.264480 7.392651 10.307039\n7.264480 -7.392651 10.307039\n7.264480 7.392651 -10.307039\nBa Na Cd\n2 1 1\ndirect\n0.735877 0.000000 0.735877 Ba\n0.264123 0.000000 0.264123 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Cd"
],
"chemical_system": "Ba-Cd-Na",
"density": 0.3075334198802796,
"density_atomic": 0.0018065972473044181,
"volume": 2214.10721507979,
"volume_molar": 333.3416326735523,
"formula_full": "Ba2 Na1 Cd1",
"formula_reduced": "Ba2NaCd",
"formula_anonymous": "ABC2",
"energy": -1.80176149,
"energy_per_atom": -0.4504403725,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.80176149,
"band_gap": 0.1648,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9997139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.740000Z",
"spacegroup": 71
},
{
"id": "mp-988484",
"created_at": "2022-09-04T14:45:28.200895Z",
"structure_string": "Si8 Ag20 O26\n1.0\n8.112055 0.000000 0.000000\n-1.722386 9.225512 0.000000\n-1.689428 -5.004089 10.329754\nSi Ag O\n8 20 26\ndirect\n0.778862 0.909878 0.755427 Si\n0.221138 0.090122 0.244573 Si\n0.267957 0.429369 0.245023 Si\n0.557300 0.983796 0.250324 Si\n0.916658 0.520969 0.251322 Si\n0.732043 0.570631 0.754977 Si\n0.442700 0.016204 0.749676 Si\n0.083342 0.479031 0.748678 Si\n0.110754 0.310486 0.641639 Ag\n0.159128 0.575961 0.916636 Ag\n0.576630 0.802048 0.161011 Ag\n0.334066 0.506064 0.432728 Ag\n0.213822 0.030981 0.070146 Ag\n0.150827 0.874246 0.928603 Ag\n0.320200 0.939958 0.569513 Ag\n0.849173 0.125754 0.071397 Ag\n0.840872 0.424039 0.083364 Ag\n0.679800 0.060042 0.430487 Ag\n0.786178 0.969019 0.929854 Ag\n0.985994 0.960261 0.429050 Ag\n0.560932 0.563801 0.083988 Ag\n0.439068 0.436199 0.916012 Ag\n0.632934 0.341214 0.447991 Ag\n0.423370 0.197952 0.838989 Ag\n0.665934 0.493936 0.567272 Ag\n0.889246 0.689514 0.358361 Ag\n0.014006 0.039739 0.570950 Ag\n0.367066 0.658786 0.552009 Ag\n0.594735 0.750070 0.613225 O\n0.620050 0.203278 0.114449 O\n0.724550 0.827808 0.377074 O\n0.356353 0.646746 0.123414 O\n0.830669 0.732447 0.763454 O\n0.883858 0.798831 0.890203 O\n0.185833 0.210032 0.879321 O\n0.275450 0.172192 0.622926 O\n0.643647 0.353254 0.876586 O\n0.405265 0.249930 0.386775 O\n0.433326 0.101293 0.254897 O\n0.169331 0.267553 0.236546 O\n0.116142 0.201169 0.109797 O\n0.814167 0.789968 0.120679 O\n0.174641 0.820363 0.373137 O\n0.825359 0.179637 0.626863 O\n0.183421 0.669036 0.734652 O\n0.561738 0.188614 0.743884 O\n0.933561 0.429240 0.380387 O\n0.112868 0.545162 0.231758 O\n0.887132 0.454838 0.768242 O\n0.379950 0.796722 0.885551 O\n0.066439 0.570760 0.619613 O\n0.816579 0.330964 0.265348 O\n0.438262 0.811386 0.256116 O\n0.566674 0.898707 0.745103 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Si",
"Ag",
"O"
],
"chemical_system": "Ag-O-Si",
"density": 6.010221710094363,
"density_atomic": 0.06985257433306441,
"volume": 773.0566914044189,
"volume_molar": 8.621215205735727,
"formula_full": "Si8 Ag20 O26",
"formula_reduced": "Si4Ag10O13",
"formula_anonymous": "A4B10C13",
"energy": -23.95098667,
"energy_per_atom": -0.44353679018518516,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.76498667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8774388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.046000Z",
"spacegroup": 2
},
{
"id": "mp-1097441",
"created_at": "2022-09-04T14:44:00.143731Z",
"structure_string": "Mg1 In1 Hg2\n1.0\n-6.008806 6.324508 8.499362\n6.008806 -6.324508 8.499362\n6.008806 6.324508 -8.499362\nMg In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n0.245169 0.000000 0.245169 Hg\n0.754831 0.000000 0.754831 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"In",
"Hg"
],
"chemical_system": "Hg-In-Mg",
"density": 0.6944248110651797,
"density_atomic": 0.00309598426136157,
"volume": 1291.9962319966241,
"volume_molar": 194.51457926183215,
"formula_full": "Mg1 In1 Hg2",
"formula_reduced": "MgInHg2",
"formula_anonymous": "ABC2",
"energy": -1.77012961,
"energy_per_atom": -0.4425324025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.77012961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0000375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.025000Z",
"spacegroup": 71
},
{
"id": "mp-1097282",
"created_at": "2022-09-04T14:39:40.260156Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n-5.757913 5.836900 8.247286\n5.757913 -5.836900 8.247286\n5.757913 5.836900 -8.247286\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Cd\n0.000000 0.237947 0.237947 Hg\n0.000000 0.762053 0.762053 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Li",
"density": 0.779611312960708,
"density_atomic": 0.0036077928475945864,
"volume": 1108.7111064779976,
"volume_molar": 166.92035863464625,
"formula_full": "Li1 Cd1 Hg2",
"formula_reduced": "LiCdHg2",
"formula_anonymous": "ABC2",
"energy": -1.7696006,
"energy_per_atom": -0.44240015,
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"formation_energy": null,
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"energy_uncorrected": -1.7696006,
"band_gap": 0.0521,
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"total_magnetization": 0.0008699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.454000Z",
"spacegroup": 71
},
{
"id": "mp-1096533",
"created_at": "2022-09-04T14:47:24.200500Z",
"structure_string": "Mg2 Tl1 Hg1\n1.0\n-6.209700 6.420731 8.777173\n6.209700 -6.420731 8.777173\n6.209700 6.420731 -8.777173\nMg Tl Hg\n2 1 1\ndirect\n0.755237 0.000000 0.755237 Mg\n0.244763 0.000000 0.244763 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Hg"
],
"chemical_system": "Hg-Mg-Tl",
"density": 0.5380670646177989,
"density_atomic": 0.002857526370629769,
"volume": 1399.8121036126927,
"volume_molar": 210.74663813768348,
"formula_full": "Mg2 Tl1 Hg1",
"formula_reduced": "Mg2TlHg",
"formula_anonymous": "ABC2",
"energy": -1.75022188,
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"band_gap": 0.0,
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"total_magnetization": 0.9998618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.578000Z",
"spacegroup": 71
},
{
"id": "mp-568335",
"created_at": "2022-09-04T14:48:23.924598Z",
"structure_string": "Cs6 Hg81\n1.0\n-8.841352 8.841352 8.841352\n8.841352 -8.841352 8.841352\n8.841352 8.841352 -8.841352\nCs Hg\n6 81\ndirect\n0.304143 0.804143 0.500000 Cs\n0.500000 0.304143 0.804143 Cs\n0.195857 0.500000 0.695857 Cs\n0.804143 0.500000 0.304143 Cs\n0.695857 0.195857 0.500000 Cs\n0.500000 0.695857 0.195857 Cs\n0.587778 0.905783 0.493560 Hg\n0.725382 0.734220 0.459602 Hg\n0.493560 0.587778 0.905783 Hg\n0.265780 0.991162 0.725382 Hg\n0.412222 0.905783 0.318005 Hg\n0.167197 0.894887 0.062084 Hg\n0.105113 0.272310 0.167197 Hg\n0.274618 0.265780 0.540398 Hg\n0.384940 0.100235 0.284705 Hg\n0.274618 0.734220 0.008838 Hg\n0.105113 0.937916 0.832803 Hg\n0.175829 0.495583 0.967324 Hg\n0.680246 0.471741 0.504417 Hg\n0.824171 0.791495 0.319754 Hg\n0.175829 0.208505 0.680246 Hg\n0.032676 0.824171 0.504417 Hg\n0.000000 0.649557 0.000000 Hg\n0.318005 0.412222 0.905783 Hg\n0.284705 0.384940 0.100235 Hg\n0.319754 0.528259 0.495583 Hg\n0.506440 0.412222 0.094217 Hg\n0.991162 0.725382 0.265780 Hg\n0.967324 0.175829 0.495583 Hg\n0.350443 0.000000 0.000000 Hg\n0.905783 0.493560 0.587778 Hg\n0.540398 0.274618 0.265780 Hg\n0.680246 0.175829 0.208505 Hg\n0.649557 0.000000 0.000000 Hg\n0.459602 0.725382 0.734220 Hg\n0.208505 0.032676 0.528259 Hg\n0.734220 0.008838 0.274618 Hg\n0.815531 0.100235 0.715295 Hg\n0.471741 0.791495 0.967324 Hg\n0.649557 0.649557 0.649557 Hg\n0.100235 0.284705 0.384940 Hg\n0.000000 0.000000 0.350443 Hg\n0.937916 0.832803 0.105113 Hg\n0.587778 0.094217 0.681995 Hg\n0.094217 0.506440 0.412222 Hg\n0.319754 0.824171 0.791495 Hg\n0.008838 0.274618 0.734220 Hg\n0.062084 0.167197 0.894887 Hg\n0.791495 0.967324 0.471741 Hg\n0.094217 0.681995 0.587778 Hg\n0.734220 0.459602 0.725382 Hg\n0.894887 0.062084 0.167197 Hg\n0.032676 0.528259 0.208505 Hg\n0.967324 0.471741 0.791495 Hg\n0.832803 0.894887 0.727690 Hg\n0.727690 0.832803 0.894887 Hg\n0.495583 0.319754 0.528259 Hg\n0.350443 0.350443 0.350443 Hg\n0.184469 0.899765 0.284705 Hg\n0.899765 0.715295 0.615060 Hg\n0.100235 0.715295 0.815531 Hg\n0.000000 0.000000 0.649557 Hg\n0.715295 0.615060 0.899765 Hg\n0.832803 0.105113 0.937916 Hg\n0.894887 0.727690 0.832803 Hg\n0.471741 0.504417 0.680246 Hg\n0.504417 0.032676 0.824171 Hg\n0.412222 0.094217 0.506440 Hg\n0.528259 0.495583 0.319754 Hg\n0.725382 0.265780 0.991162 Hg\n0.791495 0.319754 0.824171 Hg\n0.824171 0.504417 0.032676 Hg\n0.000000 0.350443 0.000000 Hg\n0.615060 0.899765 0.715295 Hg\n0.284705 0.184469 0.899765 Hg\n0.681995 0.587778 0.094217 Hg\n0.504417 0.680246 0.471741 Hg\n0.528259 0.208505 0.032676 Hg\n0.495583 0.967324 0.175829 Hg\n0.000000 0.000000 0.000000 Hg\n0.272310 0.167197 0.105113 Hg\n0.905783 0.318005 0.412222 Hg\n0.208505 0.680246 0.175829 Hg\n0.265780 0.540398 0.274618 Hg\n0.899765 0.284705 0.184469 Hg\n0.715295 0.815531 0.100235 Hg\n0.167197 0.105113 0.272310 Hg\n",
"nsites": 87,
"nelements": 2,
"elements": [
"Cs",
"Hg"
],
"chemical_system": "Cs-Hg",
"density": 10.238486025653664,
"density_atomic": 0.03147046912821459,
"volume": 2764.496444128342,
"volume_molar": 19.135846801218793,
"formula_full": "Cs6 Hg81",
"formula_reduced": "Cs2Hg27",
"formula_anonymous": "A2B27",
"energy": -38.04247484,
"energy_per_atom": -0.4372698257471264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.04247484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7164073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:57.075000Z",
"spacegroup": 204
},
{
"id": "mp-1095981",
"created_at": "2022-09-04T14:42:22.932092Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-6.170359 6.331766 8.953741\n6.170359 -6.331766 8.953741\n6.170359 6.331766 -8.953741\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250342 0.250342 Cd\n0.000000 0.749658 0.749658 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 0.32292717663534454,
"density_atomic": 0.0028586447189492066,
"volume": 1399.2644743451497,
"volume_molar": 210.6641906243475,
"formula_full": "Na1 Mg1 Cd2",
"formula_reduced": "NaMgCd2",
"formula_anonymous": "ABC2",
"energy": -1.71110916,
"energy_per_atom": -0.42777729,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.71110916,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0315417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.610000Z",
"spacegroup": 71
},
{
"id": "mp-971767",
"created_at": "2022-09-04T14:46:22.711344Z",
"structure_string": "Zn1 Hg3\n1.0\n-2.193442 2.193442 5.052836\n2.193442 -2.193442 5.052836\n2.193442 2.193442 -5.052836\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\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": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 11.39315383633264,
"density_atomic": 0.041135093356619266,
"volume": 97.24057182323955,
"volume_molar": 14.639910277560961,
"formula_full": "Zn1 Hg3",
"formula_reduced": "ZnHg3",
"formula_anonymous": "AB3",
"energy": -1.71103303,
"energy_per_atom": -0.4277582575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.71103303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.332000Z",
"spacegroup": 139
},
{
"id": "mp-1183652",
"created_at": "2022-09-04T14:46:07.561044Z",
"structure_string": "Cd2 Hg6\n1.0\n3.373767 -5.843535 0.000000\n3.373767 5.843535 0.000000\n0.000000 0.000000 5.424366\nCd Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.167366 0.334733 0.250000 Hg\n0.665267 0.832634 0.250000 Hg\n0.167366 0.832634 0.250000 Hg\n0.832634 0.665267 0.750000 Hg\n0.334733 0.167366 0.750000 Hg\n0.832634 0.167366 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.089645640316572,
"density_atomic": 0.03740419140110736,
"volume": 213.8797739058505,
"volume_molar": 16.100176302225087,
"formula_full": "Cd2 Hg6",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy": -3.38188388,
"energy_per_atom": -0.422735485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.38188388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.048000Z",
"spacegroup": 194
},
{
"id": "mp-971757",
"created_at": "2022-09-04T14:40:19.831370Z",
"structure_string": "Zn1 Hg3\n1.0\n0.000000 3.708506 3.708506\n3.708506 0.000000 3.708506\n3.708506 3.708506 0.000000\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\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": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 10.860867411297363,
"density_atomic": 0.03921326801301141,
"volume": 102.00629028605202,
"volume_molar": 15.357405962700648,
"formula_full": "Zn1 Hg3",
"formula_reduced": "ZnHg3",
"formula_anonymous": "AB3",
"energy": -1.68375966,
"energy_per_atom": -0.420939915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.68375966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.52e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.854000Z",
"spacegroup": 225
}
]
}