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=11555",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=11553",
"results": [
{
"id": "mp-985297",
"created_at": "2022-09-04T14:46:16.472402Z",
"structure_string": "Ag3 Rh1\n1.0\n4.076067 0.000000 0.000000\n0.000000 4.076067 0.000000\n0.000000 0.000000 4.076067\nAg Rh\n3 1\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Rh"
],
"chemical_system": "Ag-Rh",
"density": 10.45814057581765,
"density_atomic": 0.059065794368954934,
"volume": 67.7210903998678,
"volume_molar": 10.195648470217217,
"formula_full": "Ag3 Rh1",
"formula_reduced": "Ag3Rh",
"formula_anonymous": "AB3",
"energy": -14.97538091,
"energy_per_atom": -3.7438452275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.97538091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.766000Z",
"spacegroup": 221
},
{
"id": "mp-1099299",
"created_at": "2022-09-04T14:39:06.246067Z",
"structure_string": "Mg6 Cd1 Sn1\n1.0\n3.130515 -5.590514 0.000000\n3.130515 5.590514 0.000000\n0.000000 0.000000 5.209602\nMg Cd Sn\n6 1 1\ndirect\n0.165632 0.336801 0.000000 Mg\n0.663199 0.834368 0.000000 Mg\n0.667210 0.332790 0.000000 Mg\n0.336502 0.170069 0.500000 Mg\n0.829931 0.663498 0.500000 Mg\n0.831544 0.168456 0.500000 Mg\n0.344467 0.655533 0.500000 Cd\n0.161514 0.838486 0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Sn"
],
"chemical_system": "Cd-Mg-Sn",
"density": 3.432668996337232,
"density_atomic": 0.04387204890943289,
"volume": 182.34844733408218,
"volume_molar": 13.726600215166119,
"formula_full": "Mg6 Cd1 Sn1",
"formula_reduced": "Mg6CdSn",
"formula_anonymous": "ABC6",
"energy": -14.97371588,
"energy_per_atom": -1.871714485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.97371588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.816000Z",
"spacegroup": 38
},
{
"id": "mp-867924",
"created_at": "2022-09-04T14:48:18.863493Z",
"structure_string": "Li1 Cd1 Pd2\n1.0\n0.000000 3.179532 3.179532\n3.179532 0.000000 3.179532\n3.179532 3.179532 0.000000\nLi Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Pd"
],
"chemical_system": "Cd-Li-Pd",
"density": 8.580620022366519,
"density_atomic": 0.06222148829667524,
"volume": 64.28647255957291,
"volume_molar": 9.67855466794064,
"formula_full": "Li1 Cd1 Pd2",
"formula_reduced": "LiCdPd2",
"formula_anonymous": "ABC2",
"energy": -14.97285958,
"energy_per_atom": -3.743214895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.97285958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:02.157000Z",
"spacegroup": 225
},
{
"id": "mp-1184245",
"created_at": "2022-09-04T14:45:13.664354Z",
"structure_string": "Er1 Tm1 Tl2\n1.0\n0.000000 3.764941 3.764941\n3.764941 0.000000 3.764941\n3.764941 3.764941 0.000000\nEr Tm Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Tm",
"Tl"
],
"chemical_system": "Er-Tl-Tm",
"density": 11.589839477721283,
"density_atomic": 0.037476193377337944,
"volume": 106.73442629898537,
"volume_molar": 16.06924347775839,
"formula_full": "Er1 Tm1 Tl2",
"formula_reduced": "ErTmTl2",
"formula_anonymous": "ABC2",
"energy": -14.97211434,
"energy_per_atom": -3.743028585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.97211434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.912000Z",
"spacegroup": 225
},
{
"id": "mp-1096323",
"created_at": "2022-09-04T14:45:25.368021Z",
"structure_string": "Mg1 Si1 Ru2\n1.0\n-4.882374 5.413251 7.653177\n4.882374 -5.413251 7.653177\n4.882374 5.413251 -7.653177\nMg Si Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Si\n0.000000 0.279383 0.279383 Ru\n0.000000 0.720617 0.720617 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Ru"
],
"chemical_system": "Mg-Ru-Si",
"density": 0.5223937473207285,
"density_atomic": 0.004943892664488485,
"volume": 809.079053987483,
"volume_molar": 121.80969872700656,
"formula_full": "Mg1 Si1 Ru2",
"formula_reduced": "MgSiRu2",
"formula_anonymous": "ABC2",
"energy": -14.9707493,
"energy_per_atom": -3.742687325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.9707493,
"band_gap": 0.0203999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.000011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.833000Z",
"spacegroup": 71
},
{
"id": "mp-631312",
"created_at": "2022-09-04T14:46:23.009089Z",
"structure_string": "In1 P2 Pb1\n1.0\n0.000000 3.550087 3.550087\n3.550087 0.000000 3.550087\n3.550087 3.550087 0.000000\nIn P Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 P\n0.750000 0.750000 0.750000 P\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"P",
"Pb"
],
"chemical_system": "In-P-Pb",
"density": 7.125155458312336,
"density_atomic": 0.044700564440954896,
"volume": 89.48432866622102,
"volume_molar": 13.472180576052152,
"formula_full": "In1 P2 Pb1",
"formula_reduced": "InP2Pb",
"formula_anonymous": "ABC2",
"energy": -14.97054327,
"energy_per_atom": -3.7426358175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.97054327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.981000Z",
"spacegroup": 216
},
{
"id": "mp-1009649",
"created_at": "2022-09-04T14:42:05.833386Z",
"structure_string": "Pr1 N1\n1.0\n1.772543 -3.070134 0.000000\n1.772543 3.070134 0.000000\n0.000000 0.000000 3.222294\nPr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"N"
],
"chemical_system": "N-Pr",
"density": 7.334854065674466,
"density_atomic": 0.05702702642178037,
"volume": 35.07109041961442,
"volume_molar": 10.560152155680276,
"formula_full": "Pr1 N1",
"formula_reduced": "PrN",
"formula_anonymous": "AB",
"energy": -15.33139522,
"energy_per_atom": -7.66569761,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.97039522,
"band_gap": 0.0079000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.251000Z",
"spacegroup": 187
},
{
"id": "mp-1063755",
"created_at": "2022-09-04T14:48:24.740037Z",
"structure_string": "Bi2 Se2\n1.0\n2.949253 2.958552 0.000000\n-2.949253 2.958552 0.000000\n0.000000 1.233216 18.068409\nBi Se\n2 2\ndirect\n0.719488 0.719488 0.596173 Bi\n0.280512 0.280512 0.403827 Bi\n0.240726 0.240726 0.570594 Se\n0.759274 0.759274 0.429406 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 3.0327775148425826,
"density_atomic": 0.01268582879961034,
"volume": 315.31246899082106,
"volume_molar": 47.471401791146484,
"formula_full": "Bi2 Se2",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy": -15.91305171,
"energy_per_atom": -3.9782629275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.96905171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.54e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:08.779000Z",
"spacegroup": 12
},
{
"id": "mp-631255",
"created_at": "2022-09-04T14:43:34.220590Z",
"structure_string": "In1 Si1 Ir1\n1.0\n0.000000 3.106870 3.106870\n3.106870 0.000000 3.106870\n3.106870 3.106870 0.000000\nIn Si Ir\n1 1 1\ndirect\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"In",
"Si",
"Ir"
],
"chemical_system": "In-Ir-Si",
"density": 9.2779248923405,
"density_atomic": 0.050017503866541295,
"volume": 59.9790027108254,
"volume_molar": 12.040066565633738,
"formula_full": "In1 Si1 Ir1",
"formula_reduced": "InSiIr",
"formula_anonymous": "ABC",
"energy": -14.89762145,
"energy_per_atom": -4.965873816666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.96862145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.867000Z",
"spacegroup": 216
},
{
"id": "mp-1018028",
"created_at": "2022-09-04T14:39:23.990094Z",
"structure_string": "Ti1 S1\n1.0\n1.636941 -2.835264 0.000000\n1.636941 2.835264 0.000000\n0.000000 0.000000 3.219077\nTi S\n1 1\ndirect\n0.666667 0.333333 0.000000 Ti\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.442034081440435,
"density_atomic": 0.06693327955861489,
"volume": 29.880502093858375,
"volume_molar": 8.997229479434495,
"formula_full": "Ti1 S1",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy": -15.47160823,
"energy_per_atom": -7.735804115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.96860823,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003947,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.546000Z",
"spacegroup": 187
},
{
"id": "mp-1229116",
"created_at": "2022-09-04T14:45:16.729132Z",
"structure_string": "Ag3 S1 Br1\n1.0\n0.000000 4.919674 -0.141502\n0.000000 -0.141627 4.978650\n4.825298 0.000000 0.000000\nAg S Br\n3 1 1\ndirect\n0.509745 0.633248 0.000000 Ag\n0.395010 0.982903 0.500000 Ag\n0.985456 0.392605 0.500000 Ag\n0.495991 0.489975 0.500000 S\n0.998798 0.001269 0.000000 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ag",
"S",
"Br"
],
"chemical_system": "Ag-Br-S",
"density": 6.124830461748297,
"density_atomic": 0.04234025109020676,
"volume": 118.09093879361743,
"volume_molar": 14.223205117914176,
"formula_full": "Ag3 S1 Br1",
"formula_reduced": "Ag3SBr",
"formula_anonymous": "ABC3",
"energy": -16.00480667,
"energy_per_atom": -3.200961334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.967806669999998,
"band_gap": 0.3987,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.85e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.520000Z",
"spacegroup": 6
},
{
"id": "mp-1183189",
"created_at": "2022-09-04T14:41:30.834442Z",
"structure_string": "Al3 Au1\n1.0\n-2.025333 2.025333 4.056600\n2.025333 -2.025333 4.056600\n2.025333 2.025333 -4.056600\nAl Au\n3 1\ndirect\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 6.933301201630009,
"density_atomic": 0.060095912745894084,
"volume": 66.56026703368926,
"volume_molar": 10.02088242750161,
"formula_full": "Al3 Au1",
"formula_reduced": "Al3Au",
"formula_anonymous": "AB3",
"energy": -14.96653705,
"energy_per_atom": -3.7416342625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.96653705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.696000Z",
"spacegroup": 139
}
]
}