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_atomic&page=137",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=135",
"results": [
{
"id": "mp-1093959",
"created_at": "2022-09-04T14:47:46.192604Z",
"structure_string": "In2 Pd1 Pt1\n1.0\n-5.127078 5.299560 7.563508\n5.127078 -5.299560 7.563508\n5.127078 5.299560 -7.563508\nIn Pd Pt\n2 1 1\ndirect\n0.000000 0.251543 0.251543 In\n0.000000 0.748457 0.748457 In\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Pd",
"Pt"
],
"chemical_system": "In-Pd-Pt",
"density": 1.0729144805215287,
"density_atomic": 0.004865942709926417,
"volume": 822.0400934520021,
"volume_molar": 123.76102882828778,
"formula_full": "In2 Pd1 Pt1",
"formula_reduced": "In2PdPt",
"formula_anonymous": "ABC2",
"energy": -12.19276006,
"energy_per_atom": -3.048190015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.19276006,
"band_gap": 0.5092000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.387000Z",
"spacegroup": 71
},
{
"id": "mp-1097613",
"created_at": "2022-09-04T14:48:18.587436Z",
"structure_string": "Ta1 V1 Re2\n1.0\n-4.663075 5.534460 7.962963\n4.663075 -5.534460 7.962963\n4.663075 5.534460 -7.962963\nTa V Re\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 V\n0.000000 0.247507 0.247507 Re\n0.000000 0.752493 0.752493 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"V",
"Re"
],
"chemical_system": "Re-Ta-V",
"density": 1.2207360726960057,
"density_atomic": 0.004866062118087403,
"volume": 822.0199214333485,
"volume_molar": 123.75799185989413,
"formula_full": "Ta1 V1 Re2",
"formula_reduced": "TaVRe2",
"formula_anonymous": "ABC2",
"energy": -27.58591676,
"energy_per_atom": -6.89647919,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.58591676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.820000Z",
"spacegroup": 71
},
{
"id": "mp-1097114",
"created_at": "2022-09-04T14:42:26.593908Z",
"structure_string": "V1 Cr2 W1\n1.0\n-5.126999 5.515983 7.265761\n5.126999 -5.515983 7.265761\n5.126999 5.515983 -7.265761\nV Cr W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.752848 0.000000 0.752848 Cr\n0.247152 0.000000 0.247152 Cr\n0.500000 0.000000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"W"
],
"chemical_system": "Cr-V-W",
"density": 0.6844339342060657,
"density_atomic": 0.004866679431294575,
"volume": 821.9156524422995,
"volume_molar": 123.74229379636914,
"formula_full": "V1 Cr2 W1",
"formula_reduced": "VCr2W",
"formula_anonymous": "ABC2",
"energy": -23.54694118,
"energy_per_atom": -5.886735295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.54694118,
"band_gap": 0.0565999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 18.9993443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.088000Z",
"spacegroup": 71
},
{
"id": "mp-1095823",
"created_at": "2022-09-04T14:40:05.935931Z",
"structure_string": "Zn2 Ag1 Ir1\n1.0\n-4.959611 5.412778 7.653968\n4.959611 -5.412778 7.653968\n4.959611 5.412778 -7.653968\nZn Ag Ir\n2 1 1\ndirect\n0.000000 0.254340 0.254340 Zn\n0.000000 0.745660 0.745660 Zn\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"Ir"
],
"chemical_system": "Ag-Ir-Zn",
"density": 0.8705913612625363,
"density_atomic": 0.004866822733063772,
"volume": 821.8914514443209,
"volume_molar": 123.73865025096013,
"formula_full": "Zn2 Ag1 Ir1",
"formula_reduced": "Zn2AgIr",
"formula_anonymous": "ABC2",
"energy": -7.06684405,
"energy_per_atom": -1.7667110125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.06684405,
"band_gap": 0.3163,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.339000Z",
"spacegroup": 71
},
{
"id": "mp-1097595",
"created_at": "2022-09-04T14:48:30.086536Z",
"structure_string": "Be1 In1 Pt2\n1.0\n-4.625114 5.609464 7.918690\n4.625114 -5.609464 7.918690\n4.625114 5.609464 -7.918690\nBe In Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 In\n0.000000 0.221177 0.221177 Pt\n0.000000 0.778823 0.778823 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Pt"
],
"chemical_system": "Be-In-Pt",
"density": 1.038612489023397,
"density_atomic": 0.004867465158586363,
"volume": 821.7829752605157,
"volume_molar": 123.72231877976058,
"formula_full": "Be1 In1 Pt2",
"formula_reduced": "BeInPt2",
"formula_anonymous": "ABC2",
"energy": -12.20788703,
"energy_per_atom": -3.0519717575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.20788703,
"band_gap": 0.0016000000000007,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.993037,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.581000Z",
"spacegroup": 71
},
{
"id": "mp-1097513",
"created_at": "2022-09-04T14:42:21.661725Z",
"structure_string": "Li1 Ga2 Co1\n1.0\n-5.036153 5.354660 7.616761\n5.036153 -5.354660 7.616761\n5.036153 5.354660 -7.616761\nLi Ga Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.270160 0.270160 Ga\n0.000000 0.729840 0.729840 Ga\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Li",
"density": 0.4149727989347068,
"density_atomic": 0.004868541270613136,
"volume": 821.6013334721607,
"volume_molar": 123.69497196932629,
"formula_full": "Li1 Ga2 Co1",
"formula_reduced": "LiGa2Co",
"formula_anonymous": "ABC2",
"energy": -8.82869082,
"energy_per_atom": -2.207172705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.82869082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6797165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.897000Z",
"spacegroup": 71
},
{
"id": "mp-1093666",
"created_at": "2022-09-04T14:42:16.249638Z",
"structure_string": "Hf1 Mn1 Ir2\n1.0\n-4.746807 5.529775 7.823840\n4.746807 -5.529775 7.823840\n4.746807 5.529775 -7.823840\nHf Mn Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mn\n0.000000 0.261506 0.261506 Ir\n0.000000 0.738494 0.738494 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"Ir"
],
"chemical_system": "Hf-Ir-Mn",
"density": 1.248968911566747,
"density_atomic": 0.004869350142987469,
"volume": 821.4648531201947,
"volume_molar": 123.67442437206344,
"formula_full": "Hf1 Mn1 Ir2",
"formula_reduced": "HfMnIr2",
"formula_anonymous": "ABC2",
"energy": -25.84358896,
"energy_per_atom": -6.46089724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.84358896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.333000Z",
"spacegroup": 71
},
{
"id": "mp-1097630",
"created_at": "2022-09-04T14:43:56.203463Z",
"structure_string": "Ta1 Cr1 Re2\n1.0\n-4.930513 5.364169 7.763506\n4.930513 -5.364169 7.763506\n4.930513 5.364169 -7.763506\nTa Cr Re\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cr\n0.000000 0.267165 0.267165 Re\n0.000000 0.732835 0.732835 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"Re"
],
"chemical_system": "Cr-Re-Ta",
"density": 1.2239084260678552,
"density_atomic": 0.004870208415640466,
"volume": 821.3200870735164,
"volume_molar": 123.65262933430431,
"formula_full": "Ta1 Cr1 Re2",
"formula_reduced": "TaCrRe2",
"formula_anonymous": "ABC2",
"energy": -27.48340305,
"energy_per_atom": -6.8708507625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.48340305,
"band_gap": 0.2778999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9992191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.528000Z",
"spacegroup": 71
},
{
"id": "mp-1096039",
"created_at": "2022-09-04T14:43:18.975508Z",
"structure_string": "Mn1 Ag1 Pd2\n1.0\n-5.026231 5.374808 7.598488\n5.026231 -5.374808 7.598488\n5.026231 5.374808 -7.598488\nMn Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.234917 0.234917 Pd\n0.000000 0.765083 0.765083 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ag",
"Pd"
],
"chemical_system": "Ag-Mn-Pd",
"density": 0.7596885430768964,
"density_atomic": 0.0048715528534026995,
"volume": 821.0934214140909,
"volume_molar": 123.61850402164134,
"formula_full": "Mn1 Ag1 Pd2",
"formula_reduced": "MnAgPd2",
"formula_anonymous": "ABC2",
"energy": -14.37669631,
"energy_per_atom": -3.5941740775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.37669631,
"band_gap": 0.4049000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2574551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.012000Z",
"spacegroup": 71
},
{
"id": "mp-1097678",
"created_at": "2022-09-04T14:46:15.030318Z",
"structure_string": "Ta2 Mo1 W1\n1.0\n-4.654708 5.480211 8.042663\n4.654708 -5.480211 8.042663\n4.654708 5.480211 -8.042663\nTa Mo W\n2 1 1\ndirect\n0.000000 0.250414 0.250414 Ta\n0.000000 0.749586 0.749586 Ta\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"W"
],
"chemical_system": "Mo-Ta-W",
"density": 1.2984198500591453,
"density_atomic": 0.004874279249904307,
"volume": 820.634148131445,
"volume_molar": 123.54935881275632,
"formula_full": "Ta2 Mo1 W1",
"formula_reduced": "Ta2MoW",
"formula_anonymous": "ABC2",
"energy": -27.26826366,
"energy_per_atom": -6.817065915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.26826366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9914428,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.970000Z",
"spacegroup": 71
},
{
"id": "mp-1096120",
"created_at": "2022-09-04T14:45:33.603588Z",
"structure_string": "Zr1 Ti1 Tc2\n1.0\n-4.483324 5.686725 8.044539\n4.483324 -5.686725 8.044539\n4.483324 5.686725 -8.044539\nZr Ti Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.000000 0.242253 0.242253 Tc\n0.000000 0.757747 0.757747 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Tc"
],
"chemical_system": "Tc-Ti-Zr",
"density": 0.6782477405088086,
"density_atomic": 0.004875694500786374,
"volume": 820.3959455119393,
"volume_molar": 123.51349657015471,
"formula_full": "Zr1 Ti1 Tc2",
"formula_reduced": "ZrTiTc2",
"formula_anonymous": "ABC2",
"energy": -23.11890011,
"energy_per_atom": -5.7797250275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.11890011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6798049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.686000Z",
"spacegroup": 71
},
{
"id": "mp-1096002",
"created_at": "2022-09-04T14:48:05.357747Z",
"structure_string": "Ta1 Tc2 Sb1\n1.0\n-4.797335 5.530178 7.729455\n4.797335 -5.530178 7.729455\n4.797335 5.530178 -7.729455\nTa Tc Sb\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.265583 0.265583 Tc\n0.000000 0.734417 0.734417 Tc\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Tc",
"Sb"
],
"chemical_system": "Sb-Ta-Tc",
"density": 1.0095952691169867,
"density_atomic": 0.004876542013616201,
"volume": 820.2533657725628,
"volume_molar": 123.49203068865349,
"formula_full": "Ta1 Tc2 Sb1",
"formula_reduced": "TaTc2Sb",
"formula_anonymous": "ABC2",
"energy": -23.36442235,
"energy_per_atom": -5.8411055875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.17242235,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8977779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.684000Z",
"spacegroup": 71
}
]
}