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&page=116",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=114",
"results": [
{
"id": "mp-1096397",
"created_at": "2022-09-04T14:47:57.175601Z",
"structure_string": "Mg2 Ga1 Pd1\n1.0\n-5.436170 5.525282 7.798947\n5.436170 -5.525282 7.798947\n5.436170 5.525282 -7.798947\nMg Ga Pd\n2 1 1\ndirect\n0.000000 0.272099 0.272099 Mg\n0.000000 0.727901 0.727901 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Pd"
],
"chemical_system": "Ga-Mg-Pd",
"density": 0.398300779660075,
"density_atomic": 0.004268905617739705,
"volume": 937.0083009982111,
"volume_molar": 141.0698970474919,
"formula_full": "Mg2 Ga1 Pd1",
"formula_reduced": "Mg2GaPd",
"formula_anonymous": "ABC2",
"energy": -6.21738364,
"energy_per_atom": -1.55434591,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.21738364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9581372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.308000Z",
"spacegroup": 71
},
{
"id": "mp-1095984",
"created_at": "2022-09-04T14:47:25.462043Z",
"structure_string": "Li2 Hg1 As1\n1.0\n-5.284858 5.397598 7.626710\n5.284858 -5.397598 7.626710\n5.284858 5.397598 -7.626710\nLi Hg As\n2 1 1\ndirect\n0.000000 0.227977 0.227977 Li\n0.000000 0.772023 0.772023 Li\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"As"
],
"chemical_system": "As-Hg-Li",
"density": 0.5522133944691093,
"density_atomic": 0.004596517396652318,
"volume": 870.2240533046242,
"volume_molar": 131.01529354345476,
"formula_full": "Li2 Hg1 As1",
"formula_reduced": "Li2HgAs",
"formula_anonymous": "ABC2",
"energy": -6.22249703,
"energy_per_atom": -1.5556242575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.22249703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1391594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.715000Z",
"spacegroup": 71
},
{
"id": "mp-1056366",
"created_at": "2022-09-04T14:39:31.265276Z",
"structure_string": "Sc1\n1.0\n0.000000 0.000000 3.360069\n-1.914780 1.914780 1.680035\n-1.914780 -1.914780 1.680035\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.029841802192606,
"density_atomic": 0.040586728214169976,
"volume": 24.63859601402588,
"volume_molar": 14.837709332523877,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.22265527,
"energy_per_atom": -6.22265527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.22265527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0149012,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.897000Z",
"spacegroup": 139
},
{
"id": "mp-984827",
"created_at": "2022-09-04T14:44:15.074983Z",
"structure_string": "Ba1 Nd1\n1.0\n1.981659 -3.432334 0.000000\n1.981659 3.432334 0.000000\n0.000000 0.000000 6.583923\nBa Nd\n1 1\ndirect\n0.333333 0.666667 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Nd"
],
"chemical_system": "Ba-Nd",
"density": 5.2203633346370495,
"density_atomic": 0.02233041480446464,
"volume": 89.56394305761526,
"volume_molar": 26.9683336056792,
"formula_full": "Ba1 Nd1",
"formula_reduced": "BaNd",
"formula_anonymous": "AB",
"energy": -6.22454086,
"energy_per_atom": -3.11227043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.22454086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5151149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.740000Z",
"spacegroup": 187
},
{
"id": "mp-10641",
"created_at": "2022-09-04T14:46:00.561683Z",
"structure_string": "Sc1\n1.0\n-1.838692 1.838692 1.838692\n1.838692 -1.838692 1.838692\n1.838692 1.838692 -1.838692\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.0022645557526153,
"density_atomic": 0.04021731281916648,
"volume": 24.86491338932588,
"volume_molar": 14.974000841572915,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.23023766,
"energy_per_atom": -6.23023766,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23023766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0707755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.804000Z",
"spacegroup": 229
},
{
"id": "mp-545619",
"created_at": "2022-09-04T14:40:11.862892Z",
"structure_string": "Hg1 O1\n1.0\n0.000000 2.466883 2.466883\n2.466883 0.000000 2.466883\n2.466883 2.466883 0.000000\nHg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"O"
],
"chemical_system": "Hg-O",
"density": 11.978726346417714,
"density_atomic": 0.06661228685113602,
"volume": 30.02449089414338,
"volume_molar": 9.040585520593485,
"formula_full": "Hg1 O1",
"formula_reduced": "HgO",
"formula_anonymous": "AB",
"energy": -6.2319419300000005,
"energy_per_atom": -3.1159709650000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.54494193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018235,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.471000Z",
"spacegroup": 225
},
{
"id": "mp-1096200",
"created_at": "2022-09-04T14:41:01.875578Z",
"structure_string": "Ba2 Hg1 Pd1\n1.0\n-6.330984 6.524784 9.746266\n6.330984 -6.524784 9.746266\n6.330984 6.524784 -9.746266\nBa Hg Pd\n2 1 1\ndirect\n0.000000 0.224251 0.224251 Ba\n0.000000 0.775749 0.775749 Ba\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Pd"
],
"chemical_system": "Ba-Hg-Pd",
"density": 0.5997712946931879,
"density_atomic": 0.0024838443924313806,
"volume": 1610.4068403755712,
"volume_molar": 242.45241684021354,
"formula_full": "Ba2 Hg1 Pd1",
"formula_reduced": "Ba2HgPd",
"formula_anonymous": "ABC2",
"energy": -6.23238627,
"energy_per_atom": -1.5580965675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23238627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2879358,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.021000Z",
"spacegroup": 71
},
{
"id": "mp-1062648",
"created_at": "2022-09-04T14:39:45.452644Z",
"structure_string": "Tb1 Hg2\n1.0\n2.176478 4.838576 0.000000\n-2.176478 4.838576 0.000000\n0.000000 0.824281 3.609666\nTb Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.332092 0.332092 0.639529 Hg\n0.667908 0.667908 0.360471 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"Hg"
],
"chemical_system": "Hg-Tb",
"density": 12.233478284660118,
"density_atomic": 0.03945957393912732,
"volume": 76.02717669045231,
"volume_molar": 15.261545320509825,
"formula_full": "Tb1 Hg2",
"formula_reduced": "TbHg2",
"formula_anonymous": "AB2",
"energy": -6.238604410000001,
"energy_per_atom": -2.0795348033333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.238604410000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0165445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.082000Z",
"spacegroup": 12
},
{
"id": "mp-734",
"created_at": "2022-09-04T14:44:08.733210Z",
"structure_string": "La1 Hg1\n1.0\n3.917060 0.000000 0.000000\n0.000000 3.917060 0.000000\n0.000000 0.000000 3.917060\nLa Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 9.379990733246945,
"density_atomic": 0.03327739515501025,
"volume": 60.10085797532383,
"volume_molar": 18.096791326208432,
"formula_full": "La1 Hg1",
"formula_reduced": "LaHg",
"formula_anonymous": "AB",
"energy": -6.23918291,
"energy_per_atom": -3.119591455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23918291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3267402,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.885000Z",
"spacegroup": 221
},
{
"id": "mp-975509",
"created_at": "2022-09-04T14:42:07.712714Z",
"structure_string": "Rb1 Ba3\n1.0\n-3.202505 3.202505 6.796472\n3.202505 -3.202505 6.796472\n3.202505 3.202505 -6.796472\nRb Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ba"
],
"chemical_system": "Ba-Rb",
"density": 2.96260893776036,
"density_atomic": 0.014346198480078771,
"volume": 278.8195078685428,
"volume_molar": 41.97725807545731,
"formula_full": "Rb1 Ba3",
"formula_reduced": "RbBa3",
"formula_anonymous": "AB3",
"energy": -6.23988634,
"energy_per_atom": -1.559971585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23988634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0414894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.365000Z",
"spacegroup": 139
},
{
"id": "mp-1186123",
"created_at": "2022-09-04T14:42:13.807602Z",
"structure_string": "Na1 Cd2 Ag1\n1.0\n0.000000 3.520544 3.520544\n3.520544 0.000000 3.520544\n3.520544 3.520544 0.000000\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Na",
"density": 6.7678259304912975,
"density_atomic": 0.045835362040977344,
"volume": 87.2688645160903,
"volume_molar": 13.138634652031627,
"formula_full": "Na1 Cd2 Ag1",
"formula_reduced": "NaCd2Ag",
"formula_anonymous": "ABC2",
"energy": -6.24161488,
"energy_per_atom": -1.56040372,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.24161488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.895000Z",
"spacegroup": 225
},
{
"id": "mp-1093783",
"created_at": "2022-09-04T14:47:20.745711Z",
"structure_string": "Na1 Tl2 Au1\n1.0\n-5.804320 6.469479 9.139282\n5.804320 -6.469479 9.139282\n5.804320 6.469479 -9.139282\nNa Tl Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.266472 0.266472 Tl\n0.000000 0.733528 0.733528 Tl\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Au"
],
"chemical_system": "Au-Na-Tl",
"density": 0.7605288238517212,
"density_atomic": 0.002913850506796918,
"volume": 1372.7540210692014,
"volume_molar": 206.6729485933684,
"formula_full": "Na1 Tl2 Au1",
"formula_reduced": "NaTl2Au",
"formula_anonymous": "ABC2",
"energy": -6.24398712,
"energy_per_atom": -1.56099678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.24398712,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.495000Z",
"spacegroup": 71
}
]
}