HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=26",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=24",
"results": [
{
"id": "mp-611219",
"created_at": "2022-09-04T14:44:50.318943Z",
"structure_string": "Hg1\n1.0\n7.830023 -1.770053 0.000000\n7.830023 1.770053 0.000000\n7.429885 0.000000 3.039598\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 3.9533286686092426,
"density_atomic": 0.011868738083222304,
"volume": 84.25495558062774,
"volume_molar": 50.739520223408775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.21932567,
"energy_per_atom": -0.21932567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.21932567,
"band_gap": 1.7611,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.093000Z",
"spacegroup": 166
},
{
"id": "mp-1077098",
"created_at": "2022-09-04T14:43:41.639420Z",
"structure_string": "Hg6\n1.0\n6.483430 0.000000 0.000000\n0.000000 6.074048 0.000000\n0.000000 2.490036 5.728988\nHg\n6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.357274 0.583110 0.260136 Hg\n0.857274 0.416890 0.239864 Hg\n0.642726 0.416890 0.739864 Hg\n0.142726 0.583110 0.760136 Hg\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 8.858264989926415,
"density_atomic": 0.026594405841344038,
"volume": 225.6113573581823,
"volume_molar": 22.644389184427254,
"formula_full": "Hg6",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.71442074,
"energy_per_atom": -0.28573679,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.71442074,
"band_gap": 1.0394,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.064000Z",
"spacegroup": 14
},
{
"id": "mp-1096992",
"created_at": "2022-09-04T14:41:02.796536Z",
"structure_string": "Hg4\n1.0\n-3.227143 3.227143 3.344697\n3.227143 -3.227143 3.344697\n3.227143 3.227143 -3.344697\nHg\n4\ndirect\n0.875000 0.329267 0.954267 Hg\n0.375000 0.920733 0.045733 Hg\n0.670733 0.625000 0.545733 Hg\n0.079267 0.125000 0.454267 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 9.562361874033742,
"density_atomic": 0.02870825525868141,
"volume": 139.33274467421336,
"volume_molar": 20.97703502263133,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.10181619,
"energy_per_atom": -0.2754540475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.10181619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001239,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.390000Z",
"spacegroup": 122
},
{
"id": "mp-864900",
"created_at": "2022-09-04T14:43:21.116226Z",
"structure_string": "Hg29\n1.0\n-6.075040 6.075040 6.075040\n6.075040 -6.075040 6.075040\n6.075040 6.075040 -6.075040\nHg\n29\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.345721 Hg\n0.000000 0.308745 0.587768 Hg\n0.000000 0.345721 0.000000 Hg\n0.000000 0.587768 0.308745 Hg\n0.000000 0.621251 0.807056 Hg\n0.000000 0.807056 0.621251 Hg\n0.814195 0.192944 0.192944 Hg\n0.807056 0.000000 0.621251 Hg\n0.807056 0.621251 0.000000 Hg\n0.720977 0.412232 0.412232 Hg\n0.691255 0.691255 0.279023 Hg\n0.691255 0.279023 0.691255 Hg\n0.654279 0.654279 0.654279 Hg\n0.621251 0.807056 0.000000 Hg\n0.621251 0.000000 0.807056 Hg\n0.587768 0.000000 0.308745 Hg\n0.587768 0.308745 0.000000 Hg\n0.412232 0.412232 0.720977 Hg\n0.412232 0.720977 0.412232 Hg\n0.378749 0.378749 0.185805 Hg\n0.378749 0.185805 0.378749 Hg\n0.345721 0.000000 0.000000 Hg\n0.308745 0.587768 0.000000 Hg\n0.308745 0.000000 0.587768 Hg\n0.279023 0.691255 0.691255 Hg\n0.192944 0.192944 0.814195 Hg\n0.192944 0.814195 0.192944 Hg\n0.185805 0.378749 0.378749 Hg\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.770824684026657,
"density_atomic": 0.03233631904427263,
"volume": 896.8244023166404,
"volume_molar": 18.62345788880579,
"formula_full": "Hg29",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -8.76355737,
"energy_per_atom": -0.3021916334482758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.76355737,
"band_gap": 0.5060999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.353000Z",
"spacegroup": 217
},
{
"id": "mp-10861",
"created_at": "2022-09-04T14:40:26.888501Z",
"structure_string": "Hg3\n1.0\n2.779956 -4.815024 0.000000\n2.779956 4.815024 0.000000\n0.000000 0.000000 3.290636\nHg\n3\ndirect\n0.333333 0.666667 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.343143125408949,
"density_atomic": 0.03405454139570542,
"volume": 88.0939773976321,
"volume_molar": 17.683811066559965,
"formula_full": "Hg3",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.90234364,
"energy_per_atom": -0.30078121333333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.90234364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.52e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.702000Z",
"spacegroup": 191
},
{
"id": "mp-1184554",
"created_at": "2022-09-04T14:48:29.905178Z",
"structure_string": "Hg2\n1.0\n1.789922 -3.100236 0.000000\n1.789922 3.100236 0.000000\n0.000000 0.000000 5.734710\nHg\n2\ndirect\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.466899494409137,
"density_atomic": 0.031423870630583564,
"volume": 63.645883204899725,
"volume_molar": 19.164223372721302,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.60736073,
"energy_per_atom": -0.303680365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.60736073,
"band_gap": 0.2396999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.266000Z",
"spacegroup": 194
},
{
"id": "mp-1184569",
"created_at": "2022-09-04T14:39:09.125394Z",
"structure_string": "Hg1\n1.0\n2.360017 -2.156525 0.000000\n2.360017 2.156525 0.000000\n0.389438 0.000000 3.173109\nHg\n1\ndirect\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.312732688986728,
"density_atomic": 0.030961028912106007,
"volume": 32.29866820120413,
"volume_molar": 19.450712626818724,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27885665,
"energy_per_atom": -0.27885665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.27885665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.859000Z",
"spacegroup": 166
},
{
"id": "mp-1184766",
"created_at": "2022-09-04T14:42:42.918303Z",
"structure_string": "Hg20\n1.0\n8.609921 0.000000 0.000000\n0.000000 8.609921 0.000000\n0.000000 0.000000 8.609921\nHg\n20\ndirect\n0.375000 0.204859 0.545141 Hg\n0.560878 0.560878 0.560878 Hg\n0.704859 0.954859 0.625000 Hg\n0.310878 0.810878 0.689122 Hg\n0.954859 0.625000 0.704859 Hg\n0.045141 0.125000 0.795141 Hg\n0.689122 0.310878 0.810878 Hg\n0.295141 0.454859 0.875000 Hg\n0.439122 0.060878 0.939122 Hg\n0.625000 0.704859 0.954859 Hg\n0.125000 0.795141 0.045141 Hg\n0.939122 0.439122 0.060878 Hg\n0.795141 0.045141 0.125000 Hg\n0.189122 0.189122 0.189122 Hg\n0.545141 0.375000 0.204859 Hg\n0.454859 0.875000 0.295141 Hg\n0.810878 0.689122 0.310878 Hg\n0.204859 0.545141 0.375000 Hg\n0.060878 0.939122 0.439122 Hg\n0.875000 0.295141 0.454859 Hg\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.437365009775842,
"density_atomic": 0.03133520179175948,
"volume": 638.2598118535045,
"volume_molar": 19.218452142164605,
"formula_full": "Hg20",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -6.05923205,
"energy_per_atom": -0.30296160250000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.05923205,
"band_gap": 0.7609000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.851000Z",
"spacegroup": 213
},
{
"id": "mp-982872",
"created_at": "2022-09-04T14:41:09.697362Z",
"structure_string": "Hg1\n1.0\n2.185404 -2.285153 0.000000\n2.185404 2.285153 0.000000\n-0.204050 0.000000 3.155357\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.568974755876773,
"density_atomic": 0.031730322394322705,
"volume": 31.515595321493592,
"volume_molar": 18.979135116123185,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.28320923,
"energy_per_atom": -0.28320923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.28320923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.569000Z",
"spacegroup": 166
},
{
"id": "mp-1184591",
"created_at": "2022-09-04T14:45:11.279327Z",
"structure_string": "Hg2\n1.0\n-3.102453 3.102453 1.637697\n3.102453 -3.102453 1.637697\n3.102453 3.102453 -1.637697\nHg\n2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.750000 0.500000 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.565362558191403,
"density_atomic": 0.03171947780440208,
"volume": 63.05274041183731,
"volume_molar": 18.985623903191232,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.55788659,
"energy_per_atom": -0.278943295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.55788659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.700000Z",
"spacegroup": 141
},
{
"id": "mp-569360",
"created_at": "2022-09-04T14:44:16.189188Z",
"structure_string": "Hg3\n1.0\n1.816347 3.070770 0.000000\n-1.816347 3.070770 0.000000\n0.000000 2.508967 8.445120\nHg\n3\ndirect\n0.235213 0.235213 0.336313 Hg\n0.764787 0.764787 0.663687 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.60712531751696,
"density_atomic": 0.03184485853887111,
"volume": 94.20673030586961,
"volume_molar": 18.910873014710155,
"formula_full": "Hg3",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.90721715,
"energy_per_atom": -0.30240571666666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.90721715,
"band_gap": 0.0967,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024097,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.250000Z",
"spacegroup": 12
},
{
"id": "mp-1181096",
"created_at": "2022-09-04T14:43:21.985509Z",
"structure_string": "Hg1\n1.0\n1.997977 1.861273 3.254945\n-1.479926 2.172191 2.451138\n-1.544498 -3.043489 -0.084433\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.142603741628614,
"density_atomic": 0.03045026543003051,
"volume": 32.84043622863744,
"volume_molar": 19.77697295886582,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.2910383,
"energy_per_atom": -0.2910383,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.2910383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.58e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.670000Z",
"spacegroup": 69
}
]
}