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=115",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=113",
"results": [
{
"id": "mp-22916",
"created_at": "2022-09-04T14:42:44.535541Z",
"structure_string": "Na1 Br1\n1.0\n0.000000 3.013798 3.013798\n3.013798 0.000000 3.013798\n3.013798 3.013798 0.000000\nNa Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Br"
],
"chemical_system": "Br-Na",
"density": 3.120798709320274,
"density_atomic": 0.03653066507167183,
"volume": 54.748524180331046,
"volume_molar": 16.48516595081086,
"formula_full": "Na1 Br1",
"formula_reduced": "NaBr",
"formula_anonymous": "AB",
"energy": -6.64878802,
"energy_per_atom": -3.32439401,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.11478802,
"band_gap": 4.0895,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002847,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.208000Z",
"spacegroup": 225
},
{
"id": "mp-1097463",
"created_at": "2022-09-04T14:48:03.459065Z",
"structure_string": "Li1 Zn1 Cu2\n1.0\n-4.693046 4.919308 6.635100\n4.693046 -4.919308 6.635100\n4.693046 4.919308 -6.635100\nLi Zn Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Zn\n0.259414 0.000000 0.259414 Cu\n0.740586 0.000000 0.740586 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cu"
],
"chemical_system": "Cu-Li-Zn",
"density": 0.5405046421212351,
"density_atomic": 0.006528203763324393,
"volume": 612.7259725672316,
"volume_molar": 92.24805135269418,
"formula_full": "Li1 Zn1 Cu2",
"formula_reduced": "LiZnCu2",
"formula_anonymous": "ABC2",
"energy": -6.12215522,
"energy_per_atom": -1.530538805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.12215522,
"band_gap": 0.2947000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0001093,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.960000Z",
"spacegroup": 71
},
{
"id": "mp-985285",
"created_at": "2022-09-04T14:39:34.794591Z",
"structure_string": "Co1 Hg3\n1.0\n4.288468 0.000000 0.000000\n0.000000 4.288468 0.000000\n0.000000 0.000000 4.288468\nCo Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Hg"
],
"chemical_system": "Co-Hg",
"density": 13.910699949681536,
"density_atomic": 0.05071698991621011,
"volume": 78.86903395900323,
"volume_molar": 11.874010602658437,
"formula_full": "Co1 Hg3",
"formula_reduced": "CoHg3",
"formula_anonymous": "AB3",
"energy": -6.12265325,
"energy_per_atom": -1.5306633125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.12265325,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3630088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.212000Z",
"spacegroup": 221
},
{
"id": "mp-1096204",
"created_at": "2022-09-04T14:41:51.209315Z",
"structure_string": "Na1 Sr1 Pb2\n1.0\n-6.362609 6.946207 9.744699\n6.362609 -6.946207 9.744699\n6.362609 6.946207 -9.744699\nNa Sr Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.247288 0.247288 Pb\n0.000000 0.752712 0.752712 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Pb"
],
"chemical_system": "Na-Pb-Sr",
"density": 0.5060636053145533,
"density_atomic": 0.002321927281429428,
"volume": 1722.7068358219703,
"volume_molar": 259.3595763383529,
"formula_full": "Na1 Sr1 Pb2",
"formula_reduced": "NaSrPb2",
"formula_anonymous": "ABC2",
"energy": -6.12316045,
"energy_per_atom": -1.5307901125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.12316045,
"band_gap": 0.1356000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0003379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.114000Z",
"spacegroup": 71
},
{
"id": "mp-1185026",
"created_at": "2022-09-04T14:41:23.198757Z",
"structure_string": "K1 Li3\n1.0\n-2.448963 2.448963 5.265848\n2.448963 -2.448963 5.265848\n2.448963 2.448963 -5.265848\nK Li\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Li"
],
"chemical_system": "K-Li",
"density": 0.7876577794247985,
"density_atomic": 0.03166410621962061,
"volume": 126.32600371714919,
"volume_molar": 19.018824400823892,
"formula_full": "K1 Li3",
"formula_reduced": "KLi3",
"formula_anonymous": "AB3",
"energy": -6.1234375,
"energy_per_atom": -1.530859375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.1234375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.915000Z",
"spacegroup": 139
},
{
"id": "mp-570891",
"created_at": "2022-09-04T14:47:00.338879Z",
"structure_string": "K1 Br1\n1.0\n4.043499 0.000000 0.000000\n0.000000 4.043499 0.000000\n0.000000 0.000000 4.043499\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Br"
],
"chemical_system": "Br-K",
"density": 2.9890448568342385,
"density_atomic": 0.030252270539360002,
"volume": 66.11074026321036,
"volume_molar": 19.906409180642612,
"formula_full": "K1 Br1",
"formula_reduced": "KBr",
"formula_anonymous": "AB",
"energy": -6.65856933,
"energy_per_atom": -3.329284665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.12456933,
"band_gap": 3.8761,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003685,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.849000Z",
"spacegroup": 221
},
{
"id": "mp-867",
"created_at": "2022-09-04T14:39:09.945640Z",
"structure_string": "Er1 Cd1\n1.0\n3.719933 0.000000 0.000000\n0.000000 3.719933 0.000000\n0.000000 0.000000 3.719933\nEr Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Cd"
],
"chemical_system": "Cd-Er",
"density": 9.021725863029195,
"density_atomic": 0.0388530075189113,
"volume": 51.47606653169695,
"volume_molar": 15.499805921250202,
"formula_full": "Er1 Cd1",
"formula_reduced": "ErCd",
"formula_anonymous": "AB",
"energy": -6.12493333,
"energy_per_atom": -3.062466665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.12493333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007591,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.827000Z",
"spacegroup": 221
},
{
"id": "mp-975390",
"created_at": "2022-09-04T14:42:21.224209Z",
"structure_string": "Rb1 Ca3\n1.0\n0.000000 4.631368 4.631368\n4.631368 0.000000 4.631368\n4.631368 4.631368 0.000000\nRb Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ca"
],
"chemical_system": "Ca-Rb",
"density": 1.7192115572406015,
"density_atomic": 0.020132704716243788,
"volume": 198.68170006847896,
"volume_molar": 29.912229106212052,
"formula_full": "Rb1 Ca3",
"formula_reduced": "RbCa3",
"formula_anonymous": "AB3",
"energy": -6.12644008,
"energy_per_atom": -1.53161002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.12644008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.990000Z",
"spacegroup": 225
},
{
"id": "mp-1094944",
"created_at": "2022-09-04T14:39:36.581325Z",
"structure_string": "Sr2 Mg2\n1.0\n4.148888 0.000000 0.000000\n0.000000 6.065173 0.000000\n0.000000 0.000000 6.091712\nSr Mg\n2 2\ndirect\n0.000000 0.095774 0.000000 Sr\n0.500000 0.904226 0.500000 Sr\n0.500000 0.585694 0.000000 Mg\n0.000000 0.414306 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.4248893672965535,
"density_atomic": 0.026094304404438107,
"volume": 153.29015627332384,
"volume_molar": 23.07837245500883,
"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -6.13060598,
"energy_per_atom": -1.532651495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.13060598,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.200000Z",
"spacegroup": 59
},
{
"id": "mp-1057818",
"created_at": "2022-09-04T14:42:24.625342Z",
"structure_string": "O2\n1.0\n0.000000 2.142855 2.142855\n2.142855 0.000000 2.142855\n2.142855 2.142855 0.000000\nO\n2\ndirect\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.7000663693942357,
"density_atomic": 0.1016299345191283,
"volume": 19.679241253703353,
"volume_molar": 5.925558043990024,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -6.13423966,
"energy_per_atom": -3.06711983,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.13423966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.200000Z",
"spacegroup": 227
},
{
"id": "mp-1097612",
"created_at": "2022-09-04T14:42:10.202638Z",
"structure_string": "Na1 Ag2 Sn1\n1.0\n-5.378962 5.779855 8.833547\n5.378962 -5.779855 8.833547\n5.378962 5.779855 -8.833547\nNa Ag Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.261581 0.000000 0.261581 Ag\n0.738419 0.000000 0.738419 Ag\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ag",
"Sn"
],
"chemical_system": "Ag-Na-Sn",
"density": 0.5403026026167213,
"density_atomic": 0.0036412412696016864,
"volume": 1098.5264924335975,
"volume_molar": 165.387029150605,
"formula_full": "Na1 Ag2 Sn1",
"formula_reduced": "NaAg2Sn",
"formula_anonymous": "ABC2",
"energy": -6.13477469,
"energy_per_atom": -1.5336936725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.13477469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7764316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.377000Z",
"spacegroup": 71
},
{
"id": "mp-1095937",
"created_at": "2022-09-04T14:43:58.437925Z",
"structure_string": "Rb2 Hg1 Se1\n1.0\n-6.548602 6.901167 9.152045\n6.548602 -6.901167 9.152045\n6.548602 6.901167 -9.152045\nRb Hg Se\n2 1 1\ndirect\n0.214174 0.000000 0.214174 Rb\n0.785826 0.000000 0.785826 Rb\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Hg",
"Se"
],
"chemical_system": "Hg-Rb-Se",
"density": 0.4521481300130286,
"density_atomic": 0.002417746258038184,
"volume": 1654.433332985776,
"volume_molar": 249.08076023190733,
"formula_full": "Rb2 Hg1 Se1",
"formula_reduced": "Rb2HgSe",
"formula_anonymous": "ABC2",
"energy": -6.60894646,
"energy_per_atom": -1.652236615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.13694646,
"band_gap": 0.3878999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.485000Z",
"spacegroup": 71
}
]
}