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=-density&page=12120",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12118",
"results": [
{
"id": "mp-1096659",
"created_at": "2022-09-04T14:39:26.459910Z",
"structure_string": "Zr1 Sc2 Tl1\n1.0\n-5.415016 6.316527 8.937099\n5.415016 -6.316527 8.937099\n5.415016 6.316527 -8.937099\nZr Sc Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.229159 0.229159 Sc\n0.000000 0.770841 0.770841 Sc\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"Tl"
],
"chemical_system": "Sc-Tl-Zr",
"density": 0.5235526506816851,
"density_atomic": 0.003271337334503587,
"volume": 1222.7415246391838,
"volume_molar": 184.08803936185433,
"formula_full": "Zr1 Sc2 Tl1",
"formula_reduced": "ZrSc2Tl",
"formula_anonymous": "ABC2",
"energy": -13.17641674,
"energy_per_atom": -3.294104185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.17641674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0369417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.785000Z",
"spacegroup": 71
},
{
"id": "mp-1096506",
"created_at": "2022-09-04T14:47:23.946763Z",
"structure_string": "Sc2 Co1 Rh1\n1.0\n-4.503560 5.600224 7.919843\n4.503560 -5.600224 7.919843\n4.503560 5.600224 -7.919843\nSc Co Rh\n2 1 1\ndirect\n0.000000 0.243477 0.243477 Sc\n0.000000 0.756523 0.756523 Sc\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Rh"
],
"chemical_system": "Co-Rh-Sc",
"density": 0.5232166510997689,
"density_atomic": 0.005006360001962889,
"volume": 798.9836924295664,
"volume_molar": 120.28980651888487,
"formula_full": "Sc2 Co1 Rh1",
"formula_reduced": "Sc2CoRh",
"formula_anonymous": "ABC2",
"energy": -18.74283474,
"energy_per_atom": -4.685708685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.74283474,
"band_gap": 0.4256000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.58e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.771000Z",
"spacegroup": 71
},
{
"id": "mp-1093791",
"created_at": "2022-09-04T14:44:08.447412Z",
"structure_string": "Mn2 Al1 Tc1\n1.0\n-4.892877 5.150512 7.397489\n4.892877 -5.150512 7.397489\n4.892877 5.150512 -7.397489\nMn Al Tc\n2 1 1\ndirect\n0.000000 0.258940 0.258940 Mn\n0.000000 0.741060 0.741060 Mn\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Tc"
],
"chemical_system": "Al-Mn-Tc",
"density": 0.5229916412826383,
"density_atomic": 0.005364150698396151,
"volume": 745.6912053563253,
"volume_molar": 112.26643505374643,
"formula_full": "Mn2 Al1 Tc1",
"formula_reduced": "Mn2AlTc",
"formula_anonymous": "ABC2",
"energy": -20.53916452,
"energy_per_atom": -5.13479113,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.53916452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8966197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.489000Z",
"spacegroup": 71
},
{
"id": "mp-1096389",
"created_at": "2022-09-04T14:44:57.377564Z",
"structure_string": "Mg1 V1 Rh2\n1.0\n-4.795722 5.742528 8.109721\n4.795722 -5.742528 8.109721\n4.795722 5.742528 -8.109721\nMg V Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 V\n0.000000 0.288203 0.288203 Rh\n0.000000 0.711797 0.711797 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"V",
"Rh"
],
"chemical_system": "Mg-Rh-V",
"density": 0.5224217509067314,
"density_atomic": 0.0044775141330627615,
"volume": 893.3528473898693,
"volume_molar": 134.4974148832148,
"formula_full": "Mg1 V1 Rh2",
"formula_reduced": "MgVRh2",
"formula_anonymous": "ABC2",
"energy": -16.81407286,
"energy_per_atom": -4.203518215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.81407286,
"band_gap": 0.2604999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3356833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.623000Z",
"spacegroup": 71
},
{
"id": "mp-1096189",
"created_at": "2022-09-04T14:39:44.369142Z",
"structure_string": "Li1 In1 Cu2\n1.0\n-5.124214 5.224271 7.387135\n5.124214 -5.224271 7.387135\n5.124214 5.224271 -7.387135\nLi In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 In\n0.000000 0.247625 0.247625 Cu\n0.000000 0.752375 0.752375 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Cu"
],
"chemical_system": "Cu-In-Li",
"density": 0.5223955933271716,
"density_atomic": 0.005056744472004715,
"volume": 791.0227661581296,
"volume_molar": 119.09126105422052,
"formula_full": "Li1 In1 Cu2",
"formula_reduced": "LiInCu2",
"formula_anonymous": "ABC2",
"energy": -7.67098875,
"energy_per_atom": -1.9177471875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.67098875,
"band_gap": 1.0218000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.34e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.776000Z",
"spacegroup": 71
},
{
"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-1095979",
"created_at": "2022-09-04T14:45:28.346116Z",
"structure_string": "Li2 Cd1 Bi1\n1.0\n-5.645826 5.784125 8.163333\n5.645826 -5.784125 8.163333\n5.645826 5.784125 -8.163333\nLi Cd Bi\n2 1 1\ndirect\n0.000000 0.257360 0.257360 Li\n0.000000 0.742640 0.742640 Li\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd-Li",
"density": 0.5221022115637686,
"density_atomic": 0.003751175023405821,
"volume": 1066.332542481119,
"volume_molar": 160.54011669474946,
"formula_full": "Li2 Cd1 Bi1",
"formula_reduced": "Li2CdBi",
"formula_anonymous": "ABC2",
"energy": -5.4955908,
"energy_per_atom": -1.3738977,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4955908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5559261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.930000Z",
"spacegroup": 71
},
{
"id": "mp-1093964",
"created_at": "2022-09-04T14:48:01.363749Z",
"structure_string": "Ti2 Zn1 Mo1\n1.0\n-5.008543 5.375314 7.597568\n5.008543 -5.375314 7.597568\n5.008543 5.375314 -7.597568\nTi Zn Mo\n2 1 1\ndirect\n0.000000 0.285226 0.285226 Ti\n0.000000 0.714774 0.714774 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Mo"
],
"chemical_system": "Mo-Ti-Zn",
"density": 0.5217622137865755,
"density_atomic": 0.004888888795848535,
"volume": 818.1818337526215,
"volume_molar": 123.18015425333014,
"formula_full": "Ti2 Zn1 Mo1",
"formula_reduced": "Ti2ZnMo",
"formula_anonymous": "ABC2",
"energy": -15.67343542,
"energy_per_atom": -3.918358855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.67343542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1594959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.909000Z",
"spacegroup": 71
},
{
"id": "mp-1096391",
"created_at": "2022-09-04T14:44:03.808322Z",
"structure_string": "Ba2 Tl1 Pd1\n1.0\n-6.472407 7.121714 10.121526\n6.472407 -7.121714 10.121526\n6.472407 7.121714 -10.121526\nBa Tl Pd\n2 1 1\ndirect\n0.000000 0.218368 0.218368 Ba\n0.000000 0.781632 0.781632 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Pd"
],
"chemical_system": "Ba-Pd-Tl",
"density": 0.5209403395802915,
"density_atomic": 0.0021434021258929428,
"volume": 1866.1920465967612,
"volume_molar": 280.96177974495436,
"formula_full": "Ba2 Tl1 Pd1",
"formula_reduced": "Ba2TlPd",
"formula_anonymous": "ABC2",
"energy": -7.71107014,
"energy_per_atom": -1.927767535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.71107014,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3209008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.387000Z",
"spacegroup": 71
},
{
"id": "mp-1097482",
"created_at": "2022-09-04T14:45:15.874784Z",
"structure_string": "Sr1 La1 Cd2\n1.0\n-6.168746 6.727136 8.667369\n6.168746 -6.727136 8.667369\n6.168746 6.727136 -8.667369\nSr La Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.261958 0.000000 0.261958 Cd\n0.738042 0.000000 0.738042 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"La",
"Cd"
],
"chemical_system": "Cd-La-Sr",
"density": 0.520937637335377,
"density_atomic": 0.0027802613186683925,
"volume": 1438.7136824662948,
"volume_molar": 216.60340772874932,
"formula_full": "Sr1 La1 Cd2",
"formula_reduced": "SrLaCd2",
"formula_anonymous": "ABC2",
"energy": -2.7047648,
"energy_per_atom": -0.6761912,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.7047648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9436756,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.449000Z",
"spacegroup": 71
},
{
"id": "mp-1097309",
"created_at": "2022-09-04T14:48:11.098255Z",
"structure_string": "Ba2 In1 Hg1\n1.0\n-6.872352 7.082815 9.664029\n6.872352 -7.082815 9.664029\n6.872352 7.082815 -9.664029\nBa In Hg\n2 1 1\ndirect\n0.762761 0.000000 0.762761 Ba\n0.237239 0.000000 0.237239 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 0.5207355583039572,
"density_atomic": 0.002125839543591916,
"volume": 1881.6095561198456,
"volume_molar": 283.28294005787075,
"formula_full": "Ba2 In1 Hg1",
"formula_reduced": "Ba2InHg",
"formula_anonymous": "ABC2",
"energy": -3.05814698,
"energy_per_atom": -0.764536745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.05814698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2287469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.337000Z",
"spacegroup": 71
},
{
"id": "mp-604313",
"created_at": "2022-09-04T14:46:53.760565Z",
"structure_string": "Li4\n1.0\n4.457586 0.000000 0.000000\n0.000000 4.457586 0.000000\n0.000000 0.000000 4.457586\nLi\n4\ndirect\n0.875000 0.125000 0.625000 Li\n0.375000 0.375000 0.375000 Li\n0.125000 0.625000 0.875000 Li\n0.625000 0.875000 0.125000 Li\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5205134318254991,
"density_atomic": 0.04516071394621916,
"volume": 88.57255898929115,
"volume_molar": 13.334910442672868,
"formula_full": "Li4",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -6.58849649,
"energy_per_atom": -1.6471241225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.58849649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.145000Z",
"spacegroup": 213
}
]
}