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=-volume_molar&page=23",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=21",
"results": [
{
"id": "mp-1093874",
"created_at": "2022-09-04T14:39:25.058330Z",
"structure_string": "Cs2 Hg1 Se1\n1.0\n-6.697850 7.178748 9.387621\n6.697850 -7.178748 9.387621\n6.697850 7.178748 -9.387621\nCs Hg Se\n2 1 1\ndirect\n0.786125 0.000000 0.786125 Cs\n0.213875 0.000000 0.213875 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Hg",
"Se"
],
"chemical_system": "Cs-Hg-Se",
"density": 0.5015721724843325,
"density_atomic": 0.002215441704014194,
"volume": 1805.509029080899,
"volume_molar": 271.8257379144027,
"formula_full": "Cs2 Hg1 Se1",
"formula_reduced": "Cs2HgSe",
"formula_anonymous": "ABC2",
"energy": -6.833578360000001,
"energy_per_atom": -1.7083945900000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.36157836,
"band_gap": 0.8032000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.720000Z",
"spacegroup": 71
},
{
"id": "mp-1097521",
"created_at": "2022-09-04T14:45:22.026942Z",
"structure_string": "Ca2 Tl1 Ga1\n1.0\n-6.054758 7.338699 10.157767\n6.054758 -7.338699 10.157767\n6.054758 7.338699 -10.157767\nCa Tl Ga\n2 1 1\ndirect\n0.000000 0.241451 0.241451 Ca\n0.000000 0.758549 0.758549 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Ga"
],
"chemical_system": "Ca-Ga-Tl",
"density": 0.325836650243054,
"density_atomic": 0.002215572103730671,
"volume": 1805.4027640376207,
"volume_molar": 271.80973933819047,
"formula_full": "Ca2 Tl1 Ga1",
"formula_reduced": "Ca2TlGa",
"formula_anonymous": "ABC2",
"energy": -4.1498721,
"energy_per_atom": -1.037468025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.1498721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1055238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.717000Z",
"spacegroup": 71
},
{
"id": "mp-1096236",
"created_at": "2022-09-04T14:41:22.901171Z",
"structure_string": "Ba2 Ga1 Hg1\n1.0\n-6.824689 6.919959 9.552362\n6.824689 -6.919959 9.552362\n6.824689 6.919959 -9.552362\nBa Ga Hg\n2 1 1\ndirect\n0.231248 0.000000 0.231248 Ba\n0.768752 0.000000 0.768752 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Hg"
],
"chemical_system": "Ba-Ga-Hg",
"density": 0.5014898550690652,
"density_atomic": 0.0022166791735878113,
"volume": 1804.5010968031927,
"volume_molar": 271.6739901630803,
"formula_full": "Ba2 Ga1 Hg1",
"formula_reduced": "Ba2GaHg",
"formula_anonymous": "ABC2",
"energy": -3.2186426,
"energy_per_atom": -0.80466065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.2186426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6378864,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.568000Z",
"spacegroup": 71
},
{
"id": "mp-1095766",
"created_at": "2022-09-04T14:46:16.814372Z",
"structure_string": "Sr1 Mg1 Cd2\n1.0\n-6.776225 6.940191 9.586307\n6.776225 -6.940191 9.586307\n6.776225 6.940191 -9.586307\nSr Mg Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.765423 0.000000 0.765423 Cd\n0.234577 0.000000 0.234577 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sr",
"density": 0.3100860776937939,
"density_atomic": 0.0022181424134245,
"volume": 1803.3107233293294,
"volume_molar": 271.494775247666,
"formula_full": "Sr1 Mg1 Cd2",
"formula_reduced": "SrMgCd2",
"formula_anonymous": "ABC2",
"energy": -1.09800768,
"energy_per_atom": -0.27450192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.09800768,
"band_gap": 0.2513000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001392,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.541000Z",
"spacegroup": 71
},
{
"id": "mp-1096148",
"created_at": "2022-09-04T14:47:28.760524Z",
"structure_string": "Ba2 Zn1 Hg1\n1.0\n-6.820881 6.854115 9.634875\n6.820881 -6.854115 9.634875\n6.820881 6.854115 -9.634875\nBa Zn Hg\n2 1 1\ndirect\n0.251619 0.000000 0.251619 Ba\n0.748381 0.000000 0.748381 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Hg"
],
"chemical_system": "Ba-Hg-Zn",
"density": 0.49827578167068304,
"density_atomic": 0.0022200464220539637,
"volume": 1801.7641254092523,
"volume_molar": 271.2619294883202,
"formula_full": "Ba2 Zn1 Hg1",
"formula_reduced": "Ba2ZnHg",
"formula_anonymous": "ABC2",
"energy": -1.21157118,
"energy_per_atom": -0.302892795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.21157118,
"band_gap": 0.0318,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9997771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.681000Z",
"spacegroup": 71
},
{
"id": "mp-1096314",
"created_at": "2022-09-04T14:46:30.990262Z",
"structure_string": "La2 Ag1 Pb1\n1.0\n-5.871692 7.335971 10.454955\n5.871692 -7.335971 10.454955\n5.871692 7.335971 -10.454955\nLa Ag Pb\n2 1 1\ndirect\n0.000000 0.246225 0.246225 La\n0.000000 0.753775 0.753775 La\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ag",
"Pb"
],
"chemical_system": "Ag-La-Pb",
"density": 0.5465277726003354,
"density_atomic": 0.0022205316091815155,
"volume": 1801.3704391600145,
"volume_molar": 271.2026586381156,
"formula_full": "La2 Ag1 Pb1",
"formula_reduced": "La2AgPb",
"formula_anonymous": "ABC2",
"energy": -9.60053618,
"energy_per_atom": -2.400134045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.60053618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.948000Z",
"spacegroup": 71
},
{
"id": "mp-1095980",
"created_at": "2022-09-04T14:40:41.770689Z",
"structure_string": "Ba1 Ca1 Tl2\n1.0\n-6.102037 7.202599 10.178816\n6.102037 -7.202599 10.178816\n6.102037 7.202599 -10.178816\nBa Ca Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 0.243561 0.243561 Tl\n0.000000 0.756439 0.756439 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Tl"
],
"chemical_system": "Ba-Ca-Tl",
"density": 0.5439419355610746,
"density_atomic": 0.002235314643253034,
"volume": 1789.4572525051035,
"volume_molar": 269.4090864647149,
"formula_full": "Ba1 Ca1 Tl2",
"formula_reduced": "BaCaTl2",
"formula_anonymous": "ABC2",
"energy": -3.69003811,
"energy_per_atom": -0.9225095275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.69003811,
"band_gap": 0.0543,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.581000Z",
"spacegroup": 71
},
{
"id": "mp-1096691",
"created_at": "2022-09-04T14:40:35.164309Z",
"structure_string": "Sr2 Tl1 Pb1\n1.0\n-6.598010 6.922155 9.791845\n6.598010 -6.922155 9.791845\n6.598010 6.922155 -9.791845\nSr Tl Pb\n2 1 1\ndirect\n0.000000 0.251413 0.251413 Sr\n0.000000 0.748587 0.748587 Sr\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Pb"
],
"chemical_system": "Pb-Sr-Tl",
"density": 0.5447254120781533,
"density_atomic": 0.0022360483015703594,
"volume": 1788.8701228818854,
"volume_molar": 269.32069203383026,
"formula_full": "Sr2 Tl1 Pb1",
"formula_reduced": "Sr2TlPb",
"formula_anonymous": "ABC2",
"energy": -4.89380767,
"energy_per_atom": -1.2234519175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.89380767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9491334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.422000Z",
"spacegroup": 71
},
{
"id": "mp-1096010",
"created_at": "2022-09-04T14:46:41.251232Z",
"structure_string": "Cs2 I1 Br1\n1.0\n-6.743196 6.946807 9.545157\n6.743196 -6.946807 9.545157\n6.743196 6.946807 -9.545157\nCs I Br\n2 1 1\ndirect\n0.758990 0.000000 0.758990 Cs\n0.241010 0.000000 0.241010 Cs\n0.500000 0.000000 0.500000 I\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"I",
"Br"
],
"chemical_system": "Br-Cs-I",
"density": 0.4387999142202584,
"density_atomic": 0.002236484576226247,
"volume": 1788.521165099845,
"volume_molar": 269.2681552117616,
"formula_full": "Cs2 I1 Br1",
"formula_reduced": "Cs2IBr",
"formula_anonymous": "ABC2",
"energy": -10.9574046,
"energy_per_atom": -2.73935115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.0444046,
"band_gap": 3.714,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.284000Z",
"spacegroup": 71
},
{
"id": "mp-1096694",
"created_at": "2022-09-04T14:46:54.279690Z",
"structure_string": "Sr2 Tl1 Hg1\n1.0\n-6.738291 6.865182 9.662687\n6.738291 -6.865182 9.662687\n6.738291 6.865182 -9.662687\nSr Tl Hg\n2 1 1\ndirect\n0.000000 0.260697 0.260697 Sr\n0.000000 0.739303 0.739303 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Hg"
],
"chemical_system": "Hg-Sr-Tl",
"density": 0.538861376831591,
"density_atomic": 0.0022371766124828097,
"volume": 1787.967913521506,
"volume_molar": 269.18486123975043,
"formula_full": "Sr2 Tl1 Hg1",
"formula_reduced": "Sr2TlHg",
"formula_anonymous": "ABC2",
"energy": -2.36074623,
"energy_per_atom": -0.5901865575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.36074623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2844207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.577000Z",
"spacegroup": 71
},
{
"id": "mp-1093935",
"created_at": "2022-09-04T14:41:19.900384Z",
"structure_string": "Sr2 Tl1 Ga1\n1.0\n-6.441521 7.022453 9.867292\n6.441521 -7.022453 9.867292\n6.441521 7.022453 -9.867292\nSr Tl Ga\n2 1 1\ndirect\n0.000000 0.238828 0.238828 Sr\n0.000000 0.761172 0.761172 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Ga"
],
"chemical_system": "Ga-Sr-Tl",
"density": 0.41792180171955423,
"density_atomic": 0.002240395808308836,
"volume": 1785.398805499195,
"volume_molar": 268.7980729863004,
"formula_full": "Sr2 Tl1 Ga1",
"formula_reduced": "Sr2TlGa",
"formula_anonymous": "ABC2",
"energy": -3.85411723,
"energy_per_atom": -0.9635293075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.85411723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9808662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.415000Z",
"spacegroup": 71
},
{
"id": "mp-1096502",
"created_at": "2022-09-04T14:42:05.326170Z",
"structure_string": "Ba2 Hg1 Sb1\n1.0\n-6.800591 6.867817 9.496631\n6.800591 -6.867817 9.496631\n6.800591 6.867817 -9.496631\nBa Hg Sb\n2 1 1\ndirect\n0.224088 0.000000 0.224088 Ba\n0.775912 0.000000 0.775912 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Sb"
],
"chemical_system": "Ba-Hg-Sb",
"density": 0.5587678536721203,
"density_atomic": 0.002254576966411921,
"volume": 1774.1687507638553,
"volume_molar": 267.1073487273324,
"formula_full": "Ba2 Hg1 Sb1",
"formula_reduced": "Ba2HgSb",
"formula_anonymous": "ABC2",
"energy": -6.4025225,
"energy_per_atom": -1.600630625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.2105225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.285000Z",
"spacegroup": 71
}
]
}