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=-volume_molar&page=77",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=75",
"results": [
{
"id": "mp-1212766",
"created_at": "2022-09-04T14:41:58.641016Z",
"structure_string": "K1 Tl3 O6\n1.0\n4.833982 -7.750833 0.000000\n4.833982 7.750833 0.000000\n0.000000 0.000000 37.673880\nK Tl O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.238360 O\n0.000000 0.000000 0.761640 O\n0.303009 0.027076 0.000000 O\n0.696991 0.972924 0.000000 O\n0.027076 0.303009 0.000000 O\n0.972924 0.696991 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Tl",
"O"
],
"chemical_system": "K-O-Tl",
"density": 0.44011780099483083,
"density_atomic": 0.0035422258302812725,
"volume": 2823.083699100558,
"volume_molar": 170.01007413245048,
"formula_full": "K1 Tl3 O6",
"formula_reduced": "KTl3O6",
"formula_anonymous": "AB3C6",
"energy": -35.88096894,
"energy_per_atom": -3.5880968940000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.758968940000003,
"band_gap": 0.0688000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4200638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.566000Z",
"spacegroup": 65
},
{
"id": "mp-1096425",
"created_at": "2022-09-04T14:44:22.844961Z",
"structure_string": "Mg1 Sc2 Au1\n1.0\n-5.803226 5.865522 8.291775\n5.803226 -5.865522 8.291775\n5.803226 5.865522 -8.291775\nMg Sc Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.277812 0.277812 Sc\n0.000000 0.722188 0.722188 Sc\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Au"
],
"chemical_system": "Au-Mg-Sc",
"density": 0.4577009955495667,
"density_atomic": 0.003543042314143231,
"volume": 1128.9732510483068,
"volume_molar": 169.970895802193,
"formula_full": "Mg1 Sc2 Au1",
"formula_reduced": "MgSc2Au",
"formula_anonymous": "ABC2",
"energy": -9.94409323,
"energy_per_atom": -2.4860233075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.94409323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.943000Z",
"spacegroup": 71
},
{
"id": "mp-1096228",
"created_at": "2022-09-04T14:39:46.917744Z",
"structure_string": "Ti2 Fe1 Ru1\n1.0\n-4.445644 6.738930 9.417900\n4.445644 -6.738930 9.417900\n4.445644 6.738930 -9.417900\nTi Fe Ru\n2 1 1\ndirect\n0.000000 0.254206 0.254206 Ti\n0.000000 0.745794 0.745794 Ti\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Ru"
],
"chemical_system": "Fe-Ru-Ti",
"density": 0.3717294658414613,
"density_atomic": 0.0035442169471646546,
"volume": 1128.5990839810097,
"volume_molar": 169.91456363351756,
"formula_full": "Ti2 Fe1 Ru1",
"formula_reduced": "Ti2FeRu",
"formula_anonymous": "ABC2",
"energy": -21.24577244,
"energy_per_atom": -5.31144311,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.24577244,
"band_gap": 0.1665000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0053342,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.518000Z",
"spacegroup": 71
},
{
"id": "mp-1093962",
"created_at": "2022-09-04T14:39:32.803239Z",
"structure_string": "Nb2 Tc1 Ni1\n1.0\n-4.670366 6.442851 9.372983\n4.670366 -6.442851 9.372983\n4.670366 6.442851 -9.372983\nNb Tc Ni\n2 1 1\ndirect\n0.000000 0.254978 0.254978 Nb\n0.000000 0.745022 0.745022 Nb\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Tc",
"Ni"
],
"chemical_system": "Nb-Ni-Tc",
"density": 0.50413942267771,
"density_atomic": 0.0035456279876303325,
"volume": 1128.149939574834,
"volume_molar": 169.84694336262862,
"formula_full": "Nb2 Tc1 Ni1",
"formula_reduced": "Nb2TcNi",
"formula_anonymous": "ABC2",
"energy": -21.18488535,
"energy_per_atom": -5.2962213375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.18488535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.980155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.893000Z",
"spacegroup": 71
},
{
"id": "mp-1097242",
"created_at": "2022-09-04T14:41:52.981157Z",
"structure_string": "Y1 Sc1 Au2\n1.0\n-5.434373 5.972043 8.685640\n5.434373 -5.972043 8.685640\n5.434373 5.972043 -8.685640\nY Sc Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.243921 0.243921 Au\n0.000000 0.756079 0.756079 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Au"
],
"chemical_system": "Au-Sc-Y",
"density": 0.7772846669487506,
"density_atomic": 0.0035475277813959336,
"volume": 1127.545785822154,
"volume_molar": 169.7559858891456,
"formula_full": "Y1 Sc1 Au2",
"formula_reduced": "YScAu2",
"formula_anonymous": "ABC2",
"energy": -13.21545812,
"energy_per_atom": -3.30386453,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.21545812,
"band_gap": 0.1025,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0033795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.235000Z",
"spacegroup": 71
},
{
"id": "mp-1097420",
"created_at": "2022-09-04T14:47:26.387582Z",
"structure_string": "Y1 Al1 Au2\n1.0\n-5.438411 6.047969 8.570149\n5.438411 -6.047969 8.570149\n5.438411 6.047969 -8.570149\nY Al Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.231467 0.231467 Au\n0.000000 0.768533 0.768533 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Au"
],
"chemical_system": "Al-Au-Y",
"density": 0.7508210995563096,
"density_atomic": 0.003547562416776666,
"volume": 1127.5347774245565,
"volume_molar": 169.75432853614873,
"formula_full": "Y1 Al1 Au2",
"formula_reduced": "YAlAu2",
"formula_anonymous": "ABC2",
"energy": -11.68398952,
"energy_per_atom": -2.92099738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.68398952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.176432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.557000Z",
"spacegroup": 71
},
{
"id": "mp-1097223",
"created_at": "2022-09-04T14:45:57.406408Z",
"structure_string": "Y1 Zn1 Au2\n1.0\n-5.474064 6.046891 8.501468\n5.474064 -6.046891 8.501468\n5.474064 6.046891 -8.501468\nY Zn Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.249739 0.249739 Au\n0.000000 0.750261 0.750261 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Au"
],
"chemical_system": "Au-Y-Zn",
"density": 0.8087796539577639,
"density_atomic": 0.003553563371501814,
"volume": 1125.630692864079,
"volume_molar": 169.4676619050953,
"formula_full": "Y1 Zn1 Au2",
"formula_reduced": "YZnAu2",
"formula_anonymous": "ABC2",
"energy": -10.07306525,
"energy_per_atom": -2.5182663125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.07306525,
"band_gap": 0.4216999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.677000Z",
"spacegroup": 71
},
{
"id": "mp-1093906",
"created_at": "2022-09-04T14:41:29.708647Z",
"structure_string": "La1 Bi1 Pd2\n1.0\n-4.988327 6.320012 8.925653\n4.988327 -6.320012 8.925653\n4.988327 6.320012 -8.925653\nLa Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Bi\n0.000000 0.234421 0.234421 Pd\n0.000000 0.765579 0.765579 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Bi",
"Pd"
],
"chemical_system": "Bi-La-Pd",
"density": 0.8272311557042111,
"density_atomic": 0.003553752540384703,
"volume": 1125.5707747076249,
"volume_molar": 169.45864101578914,
"formula_full": "La1 Bi1 Pd2",
"formula_reduced": "LaBiPd2",
"formula_anonymous": "ABC2",
"energy": -15.26672296,
"energy_per_atom": -3.81668074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.26672296,
"band_gap": 0.294,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.846000Z",
"spacegroup": 71
},
{
"id": "mp-1095926",
"created_at": "2022-09-04T14:45:25.324088Z",
"structure_string": "La1 Y1 Au2\n1.0\n-5.506092 6.177863 8.272333\n5.506092 -6.177863 8.272333\n5.506092 6.177863 -8.272333\nLa Y Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.250329 0.250329 Au\n0.000000 0.749671 0.749671 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Y",
"Au"
],
"chemical_system": "Au-La-Y",
"density": 0.9172575257288887,
"density_atomic": 0.0035537776743754207,
"volume": 1125.56281414059,
"volume_molar": 169.4574425244088,
"formula_full": "La1 Y1 Au2",
"formula_reduced": "LaYAu2",
"formula_anonymous": "ABC2",
"energy": -12.19626079,
"energy_per_atom": -3.0490651975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.19626079,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5736314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.395000Z",
"spacegroup": 71
},
{
"id": "mp-1093693",
"created_at": "2022-09-04T14:46:34.374204Z",
"structure_string": "Hf1 Tl1 Au2\n1.0\n-5.558825 5.972419 8.464410\n5.558825 -5.972419 8.464410\n5.558825 5.972419 -8.464410\nHf Tl Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Tl\n0.000000 0.237882 0.237882 Au\n0.000000 0.762118 0.762118 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Tl",
"Au"
],
"chemical_system": "Au-Hf-Tl",
"density": 1.1475509064434095,
"density_atomic": 0.003558525136866076,
"volume": 1124.0611900026431,
"volume_molar": 169.23136772622556,
"formula_full": "Hf1 Tl1 Au2",
"formula_reduced": "HfTlAu2",
"formula_anonymous": "ABC2",
"energy": -12.39510323,
"energy_per_atom": -3.0987758075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.39510323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.501000Z",
"spacegroup": 71
},
{
"id": "mp-1095967",
"created_at": "2022-09-04T14:48:13.675624Z",
"structure_string": "La2 Ag1 Os1\n1.0\n-5.470336 5.942797 8.642331\n5.470336 -5.942797 8.642331\n5.470336 5.942797 -8.642331\nLa Ag Os\n2 1 1\ndirect\n0.000000 0.280699 0.280699 La\n0.000000 0.719301 0.719301 La\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ag",
"Os"
],
"chemical_system": "Ag-La-Os",
"density": 0.8509563503368082,
"density_atomic": 0.0035592968183245552,
"volume": 1123.8174853545634,
"volume_molar": 169.1946771338605,
"formula_full": "La2 Ag1 Os1",
"formula_reduced": "La2AgOs",
"formula_anonymous": "ABC2",
"energy": -16.47263943,
"energy_per_atom": -4.1181598575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.47263943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.882000Z",
"spacegroup": 71
},
{
"id": "mp-1096259",
"created_at": "2022-09-04T14:41:45.753162Z",
"structure_string": "Zr2 Hg1 Au1\n1.0\n-5.690312 5.948085 8.298786\n5.690312 -5.948085 8.298786\n5.690312 5.948085 -8.298786\nZr Hg Au\n2 1 1\ndirect\n0.000000 0.230362 0.230362 Zr\n0.000000 0.769638 0.769638 Zr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Zr",
"density": 0.8572208183772435,
"density_atomic": 0.003560181907776756,
"volume": 1123.5380954165623,
"volume_molar": 169.15261399552122,
"formula_full": "Zr2 Hg1 Au1",
"formula_reduced": "Zr2HgAu",
"formula_anonymous": "ABC2",
"energy": -10.90616474,
"energy_per_atom": -2.726541185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.90616474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7397218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.125000Z",
"spacegroup": 71
}
]
}