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=-energy_uncorrected&page=144",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=142",
"results": [
{
"id": "mp-864928",
"created_at": "2022-09-04T14:42:38.210046Z",
"structure_string": "Br2 Cl2\n1.0\n2.197384 -3.805981 0.000000\n2.197384 3.805981 0.000000\n0.000000 0.000000 9.536950\nBr Cl\n2 2\ndirect\n0.666667 0.333333 0.573953 Br\n0.333333 0.666667 0.073953 Br\n0.666667 0.333333 0.801047 Cl\n0.333333 0.666667 0.301047 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Br",
"Cl"
],
"chemical_system": "Br-Cl",
"density": 2.4016569373460412,
"density_atomic": 0.02507540268718241,
"volume": 159.51887392997472,
"volume_molar": 24.016127817075052,
"formula_full": "Br2 Cl2",
"formula_reduced": "BrCl",
"formula_anonymous": "AB",
"energy": -8.02522322,
"energy_per_atom": -2.006305805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.79722322,
"band_gap": 1.3235,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.147000Z",
"spacegroup": 186
},
{
"id": "mp-1094596",
"created_at": "2022-09-04T14:41:04.558604Z",
"structure_string": "Li1 Mg3\n1.0\n-1.575737 2.726470 5.115740\n1.575737 -2.726470 5.115740\n1.575737 2.726470 -5.115740\nLi Mg\n1 3\ndirect\n0.832113 0.500000 0.332113 Li\n0.335184 0.000000 0.335184 Mg\n0.750230 0.750545 0.999684 Mg\n0.249139 0.249455 0.999684 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.5083555945018527,
"density_atomic": 0.04549954773273249,
"volume": 87.91296176164823,
"volume_molar": 13.23560575892858,
"formula_full": "Li1 Mg3",
"formula_reduced": "LiMg3",
"formula_anonymous": "AB3",
"energy": -6.80218488,
"energy_per_atom": -1.70054622,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.80218488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.905000Z",
"spacegroup": 44
},
{
"id": "mp-1016222",
"created_at": "2022-09-04T14:39:38.751385Z",
"structure_string": "Li1 Mg3\n1.0\n3.129995 0.000000 0.000000\n0.000000 5.095659 0.000000\n0.000000 0.000000 5.553684\nLi Mg\n1 3\ndirect\n0.500000 0.000000 0.165995 Li\n0.000000 0.000000 0.666083 Mg\n0.000000 0.500000 0.330926 Mg\n0.500000 0.500000 0.836995 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.497033378401008,
"density_atomic": 0.045158013074858366,
"volume": 88.57785645637699,
"volume_molar": 13.335707994984425,
"formula_full": "Li1 Mg3",
"formula_reduced": "LiMg3",
"formula_anonymous": "AB3",
"energy": -6.8027499,
"energy_per_atom": -1.700687475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.8027499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.152000Z",
"spacegroup": 25
},
{
"id": "mp-1097626",
"created_at": "2022-09-04T14:44:59.028696Z",
"structure_string": "Y2 Mg1 Zn1\n1.0\n-6.102177 6.350623 8.965326\n6.102177 -6.350623 8.965326\n6.102177 6.350623 -8.965326\nY Mg Zn\n2 1 1\ndirect\n0.000000 0.264324 0.264324 Y\n0.000000 0.735676 0.735676 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Zn"
],
"chemical_system": "Mg-Y-Zn",
"density": 0.31965933857929446,
"density_atomic": 0.0028782782855452916,
"volume": 1389.7196876646685,
"volume_molar": 209.22718940149676,
"formula_full": "Y2 Mg1 Zn1",
"formula_reduced": "Y2MgZn",
"formula_anonymous": "ABC2",
"energy": -6.80531463,
"energy_per_atom": -1.7013286575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.80531463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001584,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.909000Z",
"spacegroup": 71
},
{
"id": "mp-702",
"created_at": "2022-09-04T14:39:47.104817Z",
"structure_string": "Ce1 Hg1\n1.0\n3.829011 0.000000 0.000000\n0.000000 3.829011 0.000000\n0.000000 0.000000 3.829011\nCe Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Hg"
],
"chemical_system": "Ce-Hg",
"density": 10.077876622969242,
"density_atomic": 0.035626253489171034,
"volume": 56.13837561134293,
"volume_molar": 16.90365999846291,
"formula_full": "Ce1 Hg1",
"formula_reduced": "CeHg",
"formula_anonymous": "AB",
"energy": -6.80734234,
"energy_per_atom": -3.40367117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.80734234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3290964,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.826000Z",
"spacegroup": 221
},
{
"id": "mp-1093555",
"created_at": "2022-09-04T14:47:01.653866Z",
"structure_string": "Na1 Sc1 Tl2\n1.0\n-6.039010 6.603276 9.372910\n6.039010 -6.603276 9.372910\n6.039010 6.603276 -9.372910\nNa Sc Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sc\n0.000000 0.254956 0.254956 Tl\n0.000000 0.745044 0.745044 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sc",
"Tl"
],
"chemical_system": "Na-Sc-Tl",
"density": 0.5294754169290262,
"density_atomic": 0.002675471655352933,
"volume": 1495.0634935701992,
"volume_molar": 225.08707008542737,
"formula_full": "Na1 Sc1 Tl2",
"formula_reduced": "NaScTl2",
"formula_anonymous": "ABC2",
"energy": -6.81452554,
"energy_per_atom": -1.703631385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.81452554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0280843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.215000Z",
"spacegroup": 71
},
{
"id": "mp-1094603",
"created_at": "2022-09-04T14:40:36.840258Z",
"structure_string": "Li1 Mg3\n1.0\n0.000000 3.520183 3.520183\n3.520183 0.000000 3.520183\n3.520183 3.520183 0.000000\nLi Mg\n1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.5199557005373123,
"density_atomic": 0.04584946494070987,
"volume": 87.24202136649993,
"volume_molar": 13.134593321399752,
"formula_full": "Li1 Mg3",
"formula_reduced": "LiMg3",
"formula_anonymous": "AB3",
"energy": -6.81831165,
"energy_per_atom": -1.7045779125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.81831165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.591000Z",
"spacegroup": 225
},
{
"id": "mp-1095801",
"created_at": "2022-09-04T14:43:58.507406Z",
"structure_string": "Y2 Zn1 Hg1\n1.0\n-6.030603 6.285285 8.966578\n6.030603 -6.285285 8.966578\n6.030603 6.285285 -8.966578\nY Zn Hg\n2 1 1\ndirect\n0.000000 0.251112 0.251112 Y\n0.000000 0.748888 0.748888 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Hg"
],
"chemical_system": "Hg-Y-Zn",
"density": 0.5420937865399165,
"density_atomic": 0.002942304084865853,
"volume": 1359.4787909837573,
"volume_molar": 204.67431598847014,
"formula_full": "Y2 Zn1 Hg1",
"formula_reduced": "Y2ZnHg",
"formula_anonymous": "ABC2",
"energy": -6.81864256,
"energy_per_atom": -1.70466064,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.81864256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6126402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.675000Z",
"spacegroup": 71
},
{
"id": "mp-1183356",
"created_at": "2022-09-04T14:48:13.021690Z",
"structure_string": "Ba3 Na1\n1.0\n-2.981301 2.981301 6.626604\n2.981301 -2.981301 6.626604\n2.981301 2.981301 -6.626604\nBa Na\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Na"
],
"chemical_system": "Ba-Na",
"density": 3.0658189830124196,
"density_atomic": 0.01697842224876154,
"volume": 235.59315120059364,
"volume_molar": 35.46937796554845,
"formula_full": "Ba3 Na1",
"formula_reduced": "Ba3Na",
"formula_anonymous": "AB3",
"energy": -6.82139429,
"energy_per_atom": -1.7053485725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.82139429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6378104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:38.533000Z",
"spacegroup": 139
},
{
"id": "mp-1097285",
"created_at": "2022-09-04T14:39:19.955981Z",
"structure_string": "Cs2 Ag1 Au1\n1.0\n-6.847659 6.934044 9.804283\n6.847659 -6.934044 9.804283\n6.847659 6.934044 -9.804283\nCs Ag Au\n2 1 1\ndirect\n0.000000 0.255242 0.255242 Cs\n0.000000 0.744758 0.744758 Cs\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Cs",
"density": 0.5088749556273646,
"density_atomic": 0.0021481046885357367,
"volume": 1862.1066381669762,
"volume_molar": 280.346707129298,
"formula_full": "Cs2 Ag1 Au1",
"formula_reduced": "Cs2AgAu",
"formula_anonymous": "ABC2",
"energy": -6.82164255,
"energy_per_atom": -1.7054106375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.82164255,
"band_gap": 1.975,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.510000Z",
"spacegroup": 71
},
{
"id": "mp-2615",
"created_at": "2022-09-04T14:43:35.941352Z",
"structure_string": "La1 Zn1\n1.0\n3.760000 0.000000 0.000000\n0.000000 3.760000 0.000000\n0.000000 0.000000 3.760000\nLa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"Zn"
],
"chemical_system": "La-Zn",
"density": 6.382409833522892,
"density_atomic": 0.03762412952813924,
"volume": 53.15737599999999,
"volume_molar": 16.006060035212286,
"formula_full": "La1 Zn1",
"formula_reduced": "LaZn",
"formula_anonymous": "AB",
"energy": -6.82731556,
"energy_per_atom": -3.41365778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.82731556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0283017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.226000Z",
"spacegroup": 221
},
{
"id": "mp-1223896",
"created_at": "2022-09-04T14:42:23.507369Z",
"structure_string": "Hg1 Br1 N1\n1.0\n4.387605 0.000000 0.000000\n0.000000 4.387605 0.000000\n0.000000 0.000000 4.228061\nHg Br N\n1 1 1\ndirect\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hg",
"Br",
"N"
],
"chemical_system": "Br-Hg-N",
"density": 6.008127480997742,
"density_atomic": 0.03685742282489951,
"volume": 81.3947305608495,
"volume_molar": 16.339017485323648,
"formula_full": "Hg1 Br1 N1",
"formula_reduced": "HgBrN",
"formula_anonymous": "ABC",
"energy": -7.725229219999999,
"energy_per_atom": -2.5750764066666663,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.83022922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9996095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.635000Z",
"spacegroup": 123
}
]
}