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=-nsites&page=12159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12157",
"results": [
{
"id": "mp-112",
"created_at": "2022-09-04T14:44:20.558165Z",
"structure_string": "Y2\n1.0\n1.829494 -3.168776 0.000000\n1.829494 3.168776 0.000000\n0.000000 0.000000 5.665965\nY\n2\ndirect\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.750000 Y\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.494516911194183,
"density_atomic": 0.03044413106310264,
"volume": 65.69410688235865,
"volume_molar": 19.78095793740243,
"formula_full": "Y2",
"formula_reduced": "Y",
"formula_anonymous": "A",
"energy": -12.92584295,
"energy_per_atom": -6.462921475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.92584295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7334585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.344000Z",
"spacegroup": 194
},
{
"id": "mp-11475",
"created_at": "2022-09-04T14:44:20.468510Z",
"structure_string": "Tm1 Hg1\n1.0\n3.682254 0.000000 0.000000\n0.000000 3.682254 0.000000\n0.000000 0.000000 3.682254\nTm Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Hg"
],
"chemical_system": "Hg-Tm",
"density": 12.289968416808021,
"density_atomic": 0.04005795439900903,
"volume": 49.92766180914812,
"volume_molar": 15.033570361618311,
"formula_full": "Tm1 Hg1",
"formula_reduced": "TmHg",
"formula_anonymous": "AB",
"energy": -5.74338247,
"energy_per_atom": -2.871691235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.74338247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.17e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.635000Z",
"spacegroup": 221
},
{
"id": "mp-1138",
"created_at": "2022-09-04T14:44:12.639846Z",
"structure_string": "Li1 F1\n1.0\n0.000000 2.041714 2.041714\n2.041714 0.000000 2.041714\n2.041714 2.041714 0.000000\nLi F\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"F"
],
"chemical_system": "F-Li",
"density": 2.530430195901122,
"density_atomic": 0.11749388920664966,
"volume": 17.0221618630938,
"volume_molar": 5.125492738952736,
"formula_full": "Li1 F1",
"formula_reduced": "LiF",
"formula_anonymous": "AB",
"energy": -10.15229103,
"energy_per_atom": -5.076145515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.69029103,
"band_gap": 8.6525,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003778,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.259000Z",
"spacegroup": 225
},
{
"id": "mp-1476",
"created_at": "2022-09-04T14:44:24.073282Z",
"structure_string": "Sc1 S1\n1.0\n0.000000 2.610837 2.610837\n2.610837 0.000000 2.610837\n2.610837 2.610837 0.000000\nSc S\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"S"
],
"chemical_system": "S-Sc",
"density": 3.593258671299138,
"density_atomic": 0.05619021886713571,
"volume": 35.593383338283296,
"volume_molar": 10.717418229389036,
"formula_full": "Sc1 S1",
"formula_reduced": "ScS",
"formula_anonymous": "AB",
"energy": -14.70789399,
"energy_per_atom": -7.353946995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.20489399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010328,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.697000Z",
"spacegroup": 225
},
{
"id": "mp-1486",
"created_at": "2022-09-04T14:44:17.394376Z",
"structure_string": "Zn1 Ni1\n1.0\n2.889128 0.000000 0.000000\n0.000000 2.889128 0.000000\n0.000000 0.000000 2.889128\nZn Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Ni"
],
"chemical_system": "Ni-Zn",
"density": 8.545331755758447,
"density_atomic": 0.08293343350629673,
"volume": 24.115726498266223,
"volume_molar": 7.261414975111054,
"formula_full": "Zn1 Ni1",
"formula_reduced": "ZnNi",
"formula_anonymous": "AB",
"energy": -7.53140649,
"energy_per_atom": -3.765703245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.53140649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065821,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.114000Z",
"spacegroup": 221
},
{
"id": "mp-1219775",
"created_at": "2022-09-04T14:44:14.251460Z",
"structure_string": "Pu1 In1\n1.0\n1.736858 2.819738 0.000000\n-1.736858 2.819738 0.000000\n0.000000 1.706072 5.510041\nPu In\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"In"
],
"chemical_system": "In-Pu",
"density": 11.039907182143757,
"density_atomic": 0.03705715713881694,
"volume": 53.97068081903734,
"volume_molar": 16.250951840263745,
"formula_full": "Pu1 In1",
"formula_reduced": "PuIn",
"formula_anonymous": "AB",
"energy": -17.10306299,
"energy_per_atom": -8.551531495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.10306299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0307934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.932000Z",
"spacegroup": 12
},
{
"id": "mp-18",
"created_at": "2022-09-04T14:44:18.480501Z",
"structure_string": "Tb2\n1.0\n1.820192 -3.152665 0.000000\n1.820192 3.152665 0.000000\n0.000000 0.000000 5.663585\nTb\n2\ndirect\n0.333333 0.666667 0.250000 Tb\n0.666667 0.333333 0.750000 Tb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.119996172618224,
"density_atomic": 0.03076901195376755,
"volume": 65.00046225095335,
"volume_molar": 19.572096657015376,
"formula_full": "Tb2",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -9.23090965,
"energy_per_atom": -4.615454825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.23090965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.991000Z",
"spacegroup": 194
},
{
"id": "mp-2434",
"created_at": "2022-09-04T14:44:19.439744Z",
"structure_string": "Sr1 Tl1\n1.0\n4.116750 0.000000 0.000000\n0.000000 4.116750 0.000000\n0.000000 0.000000 4.116750\nSr Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Tl"
],
"chemical_system": "Sr-Tl",
"density": 6.9498170868687685,
"density_atomic": 0.028665961492791558,
"volume": 69.76915811817186,
"volume_molar": 21.007984544716383,
"formula_full": "Sr1 Tl1",
"formula_reduced": "SrTl",
"formula_anonymous": "AB",
"energy": -4.91307587,
"energy_per_atom": -2.456537935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.91307587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002336,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.424000Z",
"spacegroup": 221
},
{
"id": "mp-1865",
"created_at": "2022-09-04T14:44:20.596227Z",
"structure_string": "U1 N1\n1.0\n0.000000 2.436359 2.436359\n2.436359 0.000000 2.436359\n2.436359 2.436359 0.000000\nU N\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"N"
],
"chemical_system": "N-U",
"density": 14.469621169098867,
"density_atomic": 0.06914744742165775,
"volume": 28.92369963860123,
"volume_molar": 8.709129526180886,
"formula_full": "U1 N1",
"formula_reduced": "UN",
"formula_anonymous": "AB",
"energy": -22.60801748,
"energy_per_atom": -11.30400874,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.24701748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1262682,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.536000Z",
"spacegroup": 225
},
{
"id": "mp-1038972",
"created_at": "2022-09-04T14:44:20.693325Z",
"structure_string": "Mg1 Cd1\n1.0\n4.798411 -1.667390 0.000000\n4.798411 1.667390 0.000000\n4.219013 0.000000 2.829288\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.014488632215063,
"density_atomic": 0.04417618478167113,
"volume": 45.273262276596775,
"volume_molar": 13.632097904703192,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -2.6376217,
"energy_per_atom": -1.31881085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.6376217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.324000Z",
"spacegroup": 166
},
{
"id": "mp-1009130",
"created_at": "2022-09-04T14:44:24.254354Z",
"structure_string": "Mn1 N1\n1.0\n0.000000 2.130127 2.130127\n2.130127 0.000000 2.130127\n2.130127 2.130127 0.000000\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 5.922482413592238,
"density_atomic": 0.10346262867634773,
"volume": 19.330651323932713,
"volume_molar": 5.820595162760157,
"formula_full": "Mn1 N1",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy": -18.45486119,
"energy_per_atom": -9.227430595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.09386119,
"band_gap": 0.0838999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.785000Z",
"spacegroup": 216
},
{
"id": "mp-22901",
"created_at": "2022-09-04T14:44:21.581831Z",
"structure_string": "K1 I1\n1.0\n4.346382 0.000000 0.000000\n0.000000 4.346382 0.000000\n0.000000 0.000000 4.346382\nK I\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"I"
],
"chemical_system": "I-K",
"density": 3.3572273466570497,
"density_atomic": 0.024358262999920874,
"volume": 82.10766096114887,
"volume_molar": 24.723194589119768,
"formula_full": "K1 I1",
"formula_reduced": "KI",
"formula_anonymous": "AB",
"energy": -5.8561481,
"energy_per_atom": -2.92807405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4771481,
"band_gap": 3.2404,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.125000Z",
"spacegroup": 221
}
]
}