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=-density_atomic&page=12178",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=12176",
"results": [
{
"id": "mp-1096555",
"created_at": "2022-09-04T14:45:19.633861Z",
"structure_string": "Ba2 Cd1 Ga1\n1.0\n-6.975542 6.977127 9.839568\n6.975542 -6.977127 9.839568\n6.975542 6.977127 -9.839568\nBa Cd Ga\n2 1 1\ndirect\n0.000000 0.229714 0.229714 Ba\n0.000000 0.770286 0.770286 Ba\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ga"
],
"chemical_system": "Ba-Cd-Ga",
"density": 0.395979930266193,
"density_atomic": 0.0020881869742831087,
"volume": 1915.5372815086312,
"volume_molar": 288.39087850681807,
"formula_full": "Ba2 Cd1 Ga1",
"formula_reduced": "Ba2CdGa",
"formula_anonymous": "ABC2",
"energy": -3.34755636,
"energy_per_atom": -0.83688909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.34755636,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7484613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.578000Z",
"spacegroup": 71
},
{
"id": "mp-1093949",
"created_at": "2022-09-04T14:43:01.651179Z",
"structure_string": "Ba2 Tl1 Ag1\n1.0\n-6.535605 7.203527 10.191483\n6.535605 -7.203527 10.191483\n6.535605 7.203527 -10.191483\nBa Tl Ag\n2 1 1\ndirect\n0.000000 0.245613 0.245613 Ba\n0.000000 0.754387 0.754387 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Ag"
],
"chemical_system": "Ag-Ba-Tl",
"density": 0.5077955801604653,
"density_atomic": 0.002084162756756562,
"volume": 1919.2359075761062,
"volume_molar": 288.94771967674154,
"formula_full": "Ba2 Tl1 Ag1",
"formula_reduced": "Ba2TlAg",
"formula_anonymous": "ABC2",
"energy": -4.67148802,
"energy_per_atom": -1.167872005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.67148802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.637000Z",
"spacegroup": 71
},
{
"id": "mp-1093909",
"created_at": "2022-09-04T14:40:55.988763Z",
"structure_string": "Sr1 Ca1 Mg2\n1.0\n-6.744167 7.470960 9.536885\n6.744167 -7.470960 9.536885\n6.744167 7.470960 -9.536885\nSr Ca Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.753724 0.000000 0.753724 Mg\n0.246276 0.000000 0.246276 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Sr",
"density": 0.1523175173025896,
"density_atomic": 0.0020810797688747456,
"volume": 1922.0791340270575,
"volume_molar": 289.37577742424617,
"formula_full": "Sr1 Ca1 Mg2",
"formula_reduced": "SrCaMg2",
"formula_anonymous": "ABC2",
"energy": -1.16138882,
"energy_per_atom": -0.290347205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.16138882,
"band_gap": 0.0525999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.038000Z",
"spacegroup": 71
},
{
"id": "mp-1097520",
"created_at": "2022-09-04T14:47:17.645725Z",
"structure_string": "Ba1 Li2 Ca1\n1.0\n-6.840243 7.282377 9.661468\n6.840243 -7.282377 9.661468\n6.840243 7.282377 -9.661468\nBa Li Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.236024 0.000000 0.236024 Li\n0.763976 0.000000 0.763976 Li\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ca"
],
"chemical_system": "Ba-Ca-Li",
"density": 0.16500106752056115,
"density_atomic": 0.0020778404272166345,
"volume": 1925.0756446962528,
"volume_molar": 289.8269126502145,
"formula_full": "Ba1 Li2 Ca1",
"formula_reduced": "BaLi2Ca",
"formula_anonymous": "ABC2",
"energy": -2.67757931,
"energy_per_atom": -0.6693948275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.67757931,
"band_gap": 0.1436000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.686000Z",
"spacegroup": 71
},
{
"id": "mp-1093940",
"created_at": "2022-09-04T14:40:28.001532Z",
"structure_string": "Ba1 Ca1 Cd2\n1.0\n-6.957490 7.029899 9.855929\n6.957490 -7.029899 9.855929\n6.957490 7.029899 -9.855929\nBa Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.240494 0.000000 0.240494 Cd\n0.759506 0.000000 0.759506 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Cd"
],
"chemical_system": "Ba-Ca-Cd",
"density": 0.3463866003767523,
"density_atomic": 0.0020744394240740124,
"volume": 1928.2317688237722,
"volume_molar": 290.30207824401344,
"formula_full": "Ba1 Ca1 Cd2",
"formula_reduced": "BaCaCd2",
"formula_anonymous": "ABC2",
"energy": -1.48368147,
"energy_per_atom": -0.3709203675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.48368147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008496,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.979000Z",
"spacegroup": 71
},
{
"id": "mp-1211445",
"created_at": "2022-09-04T14:39:14.495253Z",
"structure_string": "Mg2 Mn1 Ge2\n1.0\n9.075829 0.000000 0.000000\n0.000000 9.075829 0.000000\n0.000000 0.000000 29.264244\nMg Mn Ge\n2 1 2\ndirect\n0.500000 0.500000 0.662860 Mg\n0.500000 0.500000 0.337140 Mg\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.248878 Ge\n0.500000 0.500000 0.751122 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mg-Mn",
"density": 0.17141092808811237,
"density_atomic": 0.0020742451621672663,
"volume": 2410.5154449417983,
"volume_molar": 290.3292662718708,
"formula_full": "Mg2 Mn1 Ge2",
"formula_reduced": "Mg2MnGe2",
"formula_anonymous": "AB2C2",
"energy": -9.24049015,
"energy_per_atom": -1.8480980299999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.24049015,
"band_gap": 0.6073999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9933025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.155000Z",
"spacegroup": 123
},
{
"id": "mp-1207281",
"created_at": "2022-09-04T14:45:53.069368Z",
"structure_string": "Na1 Sm3 S6\n1.0\n6.617005 -8.156379 0.000000\n6.617005 8.156379 0.000000\n0.000000 0.000000 44.776019\nNa Sm S\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.000000 0.000000 0.231201 S\n0.000000 0.000000 0.768799 S\n0.259193 0.972949 0.000000 S\n0.740807 0.027051 0.000000 S\n0.972949 0.259193 0.000000 S\n0.027051 0.740807 0.000000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Sm",
"S"
],
"chemical_system": "Na-S-Sm",
"density": 0.22897533413322393,
"density_atomic": 0.002069024653482881,
"volume": 4833.19518845102,
"volume_molar": 291.0618174540677,
"formula_full": "Na1 Sm3 S6",
"formula_reduced": "Na(SmS2)3",
"formula_anonymous": "AB3C6",
"energy": -32.54047126,
"energy_per_atom": -3.2540471259999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.52247126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.03014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.428000Z",
"spacegroup": 65
},
{
"id": "mp-1097672",
"created_at": "2022-09-04T14:46:17.481860Z",
"structure_string": "Cs2 Hg1 Te1\n1.0\n-6.813197 7.486997 9.517215\n6.813197 -7.486997 9.517215\n6.813197 7.486997 -9.517215\nCs Hg Te\n2 1 1\ndirect\n0.220527 0.000000 0.220527 Cs\n0.779473 0.000000 0.779473 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Hg",
"Te"
],
"chemical_system": "Cs-Hg-Te",
"density": 0.5079345161821781,
"density_atomic": 0.0020598306398527393,
"volume": 1941.9072241230313,
"volume_molar": 292.3609661632441,
"formula_full": "Cs2 Hg1 Te1",
"formula_reduced": "Cs2HgTe",
"formula_anonymous": "ABC2",
"energy": -6.20736386,
"energy_per_atom": -1.551840965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.78536386,
"band_gap": 0.9072999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.118000Z",
"spacegroup": 71
},
{
"id": "mp-1095977",
"created_at": "2022-09-04T14:45:22.005078Z",
"structure_string": "Ba2 Li1 Cd1\n1.0\n-6.867201 7.239496 9.767377\n6.867201 -7.239496 9.767377\n6.867201 7.239496 -9.767377\nBa Li Cd\n2 1 1\ndirect\n0.742678 0.000000 0.742678 Ba\n0.257322 0.000000 0.257322 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Cd"
],
"chemical_system": "Ba-Cd-Li",
"density": 0.33684173757418245,
"density_atomic": 0.0020593679875085323,
"volume": 1942.3434880326008,
"volume_molar": 292.4266472300424,
"formula_full": "Ba2 Li1 Cd1",
"formula_reduced": "Ba2LiCd",
"formula_anonymous": "ABC2",
"energy": -2.02714608,
"energy_per_atom": -0.50678652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.02714608,
"band_gap": 0.1151000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9997435,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.828000Z",
"spacegroup": 71
},
{
"id": "mp-1096746",
"created_at": "2022-09-04T14:43:41.609278Z",
"structure_string": "Li2 Sc1 Tl1\n1.0\n-6.561858 7.275677 10.214323\n6.561858 -7.275677 10.214323\n6.561858 7.275677 -10.214323\nLi Sc Tl\n2 1 1\ndirect\n0.000000 0.258233 0.258233 Li\n0.000000 0.741767 0.741767 Li\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Tl"
],
"chemical_system": "Li-Sc-Tl",
"density": 0.22407848784415435,
"density_atomic": 0.002050643540919159,
"volume": 1950.6071729107448,
"volume_molar": 293.67077406835415,
"formula_full": "Li2 Sc1 Tl1",
"formula_reduced": "Li2ScTl",
"formula_anonymous": "ABC2",
"energy": -5.93120139,
"energy_per_atom": -1.4828003475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.93120139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9885868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.798000Z",
"spacegroup": 71
},
{
"id": "mp-1093931",
"created_at": "2022-09-04T14:41:00.215002Z",
"structure_string": "Ba2 Cd1 Ag1\n1.0\n-6.961103 7.128764 9.828739\n6.961103 -7.128764 9.828739\n6.961103 7.128764 -9.828739\nBa Cd Ag\n2 1 1\ndirect\n0.766302 0.000000 0.766302 Ba\n0.233698 0.000000 0.233698 Ba\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ag"
],
"chemical_system": "Ag-Ba-Cd",
"density": 0.4212555088935082,
"density_atomic": 0.0020502645378073833,
"volume": 1950.9677537893353,
"volume_molar": 293.72506078851,
"formula_full": "Ba2 Cd1 Ag1",
"formula_reduced": "Ba2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.34931346,
"energy_per_atom": -0.837328365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.34931346,
"band_gap": 0.3205,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.000772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.348000Z",
"spacegroup": 71
},
{
"id": "mp-1207325",
"created_at": "2022-09-04T14:43:18.321111Z",
"structure_string": "Yb2 S2 Br2\n1.0\n10.886035 0.000000 0.000000\n0.000000 13.595534 0.000000\n0.000000 0.000000 19.805232\nYb S Br\n2 2 2\ndirect\n0.500000 0.500000 0.174426 Yb\n0.500000 0.500000 0.825574 Yb\n0.500000 0.500000 0.051259 S\n0.500000 0.500000 0.948741 S\n0.500000 0.500000 0.693438 Br\n0.500000 0.500000 0.306562 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"S",
"Br"
],
"chemical_system": "Br-S-Yb",
"density": 0.32291761539842817,
"density_atomic": 0.0020469409750059567,
"volume": 2931.2032311935814,
"volume_molar": 294.20197424024286,
"formula_full": "Yb2 S2 Br2",
"formula_reduced": "YbSBr",
"formula_anonymous": "ABC",
"energy": -20.65410792,
"energy_per_atom": -3.44235132,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.58010792,
"band_gap": 1.7925999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.404000Z",
"spacegroup": 47
}
]
}