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=92",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=90",
"results": [
{
"id": "mp-1093782",
"created_at": "2022-09-04T14:43:17.598886Z",
"structure_string": "Y2 Cd1 Hg1\n1.0\n-6.269136 6.352019 8.973079\n6.269136 -6.352019 8.973079\n6.269136 6.352019 -8.973079\nY Cd Hg\n2 1 1\ndirect\n0.000000 0.253184 0.253184 Y\n0.000000 0.746816 0.746816 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Y",
"density": 0.5702219444984185,
"density_atomic": 0.002798588394633705,
"volume": 1429.2919986626125,
"volume_molar": 215.18494007719963,
"formula_full": "Y2 Cd1 Hg1",
"formula_reduced": "Y2CdHg",
"formula_anonymous": "ABC2",
"energy": -6.73652411,
"energy_per_atom": -1.6841310275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.73652411,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6486465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.044000Z",
"spacegroup": 71
},
{
"id": "mp-1096730",
"created_at": "2022-09-04T14:44:42.428668Z",
"structure_string": "Ti2 Nb1 Sn1\n1.0\n-4.883271 5.849626 7.831330\n4.883271 -5.849626 7.831330\n4.883271 5.849626 -7.831330\nTi Nb Sn\n2 1 1\ndirect\n0.000000 0.226720 0.226720 Ti\n0.000000 0.773280 0.773280 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"Sn"
],
"chemical_system": "Nb-Sn-Ti",
"density": 0.5703591449548521,
"density_atomic": 0.004470185533342566,
"volume": 894.817445532068,
"volume_molar": 134.71791528744365,
"formula_full": "Ti2 Nb1 Sn1",
"formula_reduced": "Ti2NbSn",
"formula_anonymous": "ABC2",
"energy": -17.40652733,
"energy_per_atom": -4.3516318325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.40652733,
"band_gap": 0.2756000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3236598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.941000Z",
"spacegroup": 71
},
{
"id": "mp-1097136",
"created_at": "2022-09-04T14:40:20.088759Z",
"structure_string": "Y2 Tl1 In1\n1.0\n-6.060767 6.550568 9.111632\n6.060767 -6.550568 9.111632\n6.060767 6.550568 -9.111632\nY Tl In\n2 1 1\ndirect\n0.000000 0.249561 0.249561 Y\n0.000000 0.750439 0.750439 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tl",
"In"
],
"chemical_system": "In-Tl-Y",
"density": 0.5703666655585983,
"density_atomic": 0.0027643770653827775,
"volume": 1446.9806055369397,
"volume_molar": 217.84802208833713,
"formula_full": "Y2 Tl1 In1",
"formula_reduced": "Y2TlIn",
"formula_anonymous": "ABC2",
"energy": -10.1561077,
"energy_per_atom": -2.539026925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.1561077,
"band_gap": 0.0811000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0015107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.192000Z",
"spacegroup": 71
},
{
"id": "mp-1096576",
"created_at": "2022-09-04T14:41:55.772396Z",
"structure_string": "Al2 Cu1 Tc1\n1.0\n-4.793175 4.852266 6.743861\n4.793175 -4.852266 6.743861\n4.793175 4.852266 -6.743861\nAl Cu Tc\n2 1 1\ndirect\n0.247192 0.000000 0.247192 Al\n0.752808 0.000000 0.752808 Al\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Tc"
],
"chemical_system": "Al-Cu-Tc",
"density": 0.5703982400721648,
"density_atomic": 0.006375635841955928,
"volume": 627.3884047262137,
"volume_molar": 94.4555321113277,
"formula_full": "Al2 Cu1 Tc1",
"formula_reduced": "Al2CuTc",
"formula_anonymous": "ABC2",
"energy": -12.77391544,
"energy_per_atom": -3.19347886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.77391544,
"band_gap": 0.4899999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9856224,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.190000Z",
"spacegroup": 71
},
{
"id": "mp-696588",
"created_at": "2022-09-04T14:46:06.115847Z",
"structure_string": "P4 H12\n1.0\n7.318538 0.000000 0.000000\n-0.740834 7.337551 0.000000\n-0.591338 -2.581199 7.368170\nP H\n4 12\ndirect\n0.760146 0.323984 0.186371 P\n0.245880 0.079910 0.656296 P\n0.236496 0.808613 0.422591 P\n0.812228 0.689312 0.770280 P\n0.702517 0.997943 0.457508 H\n0.634458 0.449198 0.153239 H\n0.148972 0.687237 0.512163 H\n0.393498 0.940449 0.941175 H\n0.793078 0.018511 0.516894 H\n0.866012 0.346986 0.046379 H\n0.438583 0.138702 0.654699 H\n0.846642 0.521403 0.629296 H\n0.059522 0.828152 0.343790 H\n0.929504 0.647373 0.903121 H\n0.652603 0.589449 0.810810 H\n0.479859 0.932778 0.995389 H\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"H"
],
"chemical_system": "H-P",
"density": 0.5707185863796979,
"density_atomic": 0.04043755420858454,
"volume": 395.6718034297767,
"volume_molar": 14.892445593857289,
"formula_full": "P4 H12",
"formula_reduced": "PH3",
"formula_anonymous": "AB3",
"energy": -61.89714251,
"energy_per_atom": -3.868571406875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.74914251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0007378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.197000Z",
"spacegroup": 1
},
{
"id": "mp-1097277",
"created_at": "2022-09-04T14:39:40.434259Z",
"structure_string": "Y1 Sc1 Cu2\n1.0\n-5.046120 5.145441 7.310265\n5.046120 -5.145441 7.310265\n5.046120 5.145441 -7.310265\nY Sc Cu\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.241664 0.000000 0.241664 Cu\n0.758336 0.000000 0.758336 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Cu"
],
"chemical_system": "Cu-Sc-Y",
"density": 0.570741392982865,
"density_atomic": 0.0052684965810748845,
"volume": 759.2298748695241,
"volume_molar": 114.30472939153653,
"formula_full": "Y1 Sc1 Cu2",
"formula_reduced": "YScCu2",
"formula_anonymous": "ABC2",
"energy": -11.89091835,
"energy_per_atom": -2.9727295875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.89091835,
"band_gap": 0.0428000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.574000Z",
"spacegroup": 71
},
{
"id": "mp-10173",
"created_at": "2022-09-04T14:48:14.019809Z",
"structure_string": "Li2\n1.0\n1.538769 -2.665227 0.000000\n1.538769 2.665227 0.000000\n0.000000 0.000000 4.922947\nLi\n2\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5708714829216157,
"density_atomic": 0.049529872168447765,
"volume": 40.379672154172624,
"volume_molar": 12.158603477753998,
"formula_full": "Li2",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -3.81279734,
"energy_per_atom": -1.90639867,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.81279734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:10.958000Z",
"spacegroup": 194
},
{
"id": "mp-1097323",
"created_at": "2022-09-04T14:47:43.760654Z",
"structure_string": "Zr1 Zn1 Co2\n1.0\n-4.595531 5.541403 7.837160\n4.595531 -5.541403 7.837160\n4.595531 5.541403 -7.837160\nZr Zn Co\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.269300 0.269300 Co\n0.000000 0.730700 0.730700 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Co"
],
"chemical_system": "Co-Zn-Zr",
"density": 0.5709740111517819,
"density_atomic": 0.005010555202539587,
"volume": 798.3147252768734,
"volume_molar": 120.18909115995154,
"formula_full": "Zr1 Zn1 Co2",
"formula_reduced": "ZrZnCo2",
"formula_anonymous": "ABC2",
"energy": -14.56895746,
"energy_per_atom": -3.642239365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.56895746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6763445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.866000Z",
"spacegroup": 71
},
{
"id": "mp-567337",
"created_at": "2022-09-04T14:48:26.246042Z",
"structure_string": "Li8\n1.0\n-3.430450 3.430450 3.430450\n3.430450 -3.430450 3.430450\n3.430450 3.430450 -3.430450\nLi\n8\ndirect\n0.011942 0.500000 0.000000 Li\n0.000000 0.011942 0.500000 Li\n0.988058 0.988058 0.988058 Li\n0.000000 0.511942 0.500000 Li\n0.511942 0.500000 0.000000 Li\n0.488058 0.488058 0.488058 Li\n0.500000 0.000000 0.011942 Li\n0.500000 0.000000 0.511942 Li\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5710154463801983,
"density_atomic": 0.04954236270600979,
"volume": 161.4779667952645,
"volume_molar": 12.155538070996112,
"formula_full": "Li8",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -15.18856493,
"energy_per_atom": -1.89857061625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.18856493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.85e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:09.726000Z",
"spacegroup": 220
},
{
"id": "mp-1173144",
"created_at": "2022-09-04T14:44:08.957252Z",
"structure_string": "Ta4 Os2 Se12\n1.0\n28.725989 0.000000 28.725989\n14.362994 11.727336 14.362994\n0.721811 0.000000 18.428848\nTa Os Se\n4 2 12\ndirect\n0.250000 0.666720 0.250000 Ta\n0.583386 0.666561 0.250000 Ta\n0.750000 0.333333 0.750000 Ta\n0.916614 0.666720 0.250000 Ta\n0.083330 0.333333 0.750010 Os\n0.416670 0.333333 0.749990 Os\n0.023312 0.333333 0.930064 Se\n0.143360 0.333333 0.569920 Se\n0.312247 0.666644 0.063257 Se\n0.187753 0.666643 0.436743 Se\n0.356640 0.333333 0.930080 Se\n0.476688 0.333333 0.569936 Se\n0.521061 0.666714 0.436743 Se\n0.645557 0.666714 0.063257 Se\n0.687631 0.333333 0.937107 Se\n0.812369 0.333333 0.562893 Se\n0.978939 0.666643 0.063257 Se\n0.854443 0.666644 0.436743 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Os",
"Se"
],
"chemical_system": "Os-Se-Ta",
"density": 0.5711600747535472,
"density_atomic": 0.0030175345557598675,
"volume": 5965.134671164449,
"volume_molar": 199.57155912282573,
"formula_full": "Ta4 Os2 Se12",
"formula_reduced": "Ta2OsSe6",
"formula_anonymous": "AB2C6",
"energy": -88.20167162,
"energy_per_atom": -4.9000928677777775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.53767162,
"band_gap": 0.0091000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.2158233,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.071000Z",
"spacegroup": 155
},
{
"id": "mp-1097642",
"created_at": "2022-09-04T14:48:04.059873Z",
"structure_string": "Ba2 Ag1 Au1\n1.0\n-6.505122 6.763176 9.565185\n6.505122 -6.763176 9.565185\n6.505122 6.763176 -9.565185\nBa Ag Au\n2 1 1\ndirect\n0.000000 0.255510 0.255510 Ba\n0.000000 0.744490 0.744490 Ba\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Ba",
"density": 0.5716558078101134,
"density_atomic": 0.00237629574635894,
"volume": 1683.2921601315693,
"volume_molar": 253.4255582129193,
"formula_full": "Ba2 Ag1 Au1",
"formula_reduced": "Ba2AgAu",
"formula_anonymous": "ABC2",
"energy": -6.63025291,
"energy_per_atom": -1.6575632275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.63025291,
"band_gap": 0.1156999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.154000Z",
"spacegroup": 71
},
{
"id": "mp-1096463",
"created_at": "2022-09-04T14:40:04.263394Z",
"structure_string": "Sc2 Cd1 Au1\n1.0\n-5.657874 6.043600 8.478909\n5.657874 -6.043600 8.478909\n5.657874 6.043600 -8.478909\nSc Cd Au\n2 1 1\ndirect\n0.000000 0.271990 0.271990 Sc\n0.000000 0.728010 0.728010 Sc\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Sc",
"density": 0.5717259716981173,
"density_atomic": 0.003449141739563987,
"volume": 1159.7087919343228,
"volume_molar": 174.5982396409511,
"formula_full": "Sc2 Cd1 Au1",
"formula_reduced": "Sc2CdAu",
"formula_anonymous": "ABC2",
"energy": -9.87121873,
"energy_per_atom": -2.4678046825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.87121873,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999718,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.674000Z",
"spacegroup": 71
}
]
}