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=-energy_uncorrected&page=1743",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=1741",
"results": [
{
"id": "mp-5921",
"created_at": "2022-09-04T14:40:20.205655Z",
"structure_string": "Ta1 Al1 Ni2\n1.0\n0.000000 2.989484 2.989484\n2.989484 0.000000 2.989484\n2.989484 2.989484 0.000000\nTa Al Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Ta",
"density": 10.109649925044955,
"density_atomic": 0.07485853015996369,
"volume": 53.434124226757866,
"volume_molar": 8.044695437021552,
"formula_full": "Ta1 Al1 Ni2",
"formula_reduced": "TaAlNi2",
"formula_anonymous": "ABC2",
"energy": -28.99541271,
"energy_per_atom": -7.2488531775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.99541271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001214,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.893000Z",
"spacegroup": 225
},
{
"id": "mp-1026658",
"created_at": "2022-09-04T14:46:03.804912Z",
"structure_string": "K1 Mg14 Ti1\n1.0\n6.544251 0.000000 -0.000000\n-3.272126 5.667487 0.000000\n-0.000000 -0.000000 10.314737\nK Mg Ti\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.167054 0.833526 0.125000 Mg\n0.174488 0.837243 0.625000 Mg\n0.666474 0.332946 0.125000 Mg\n0.662757 0.325512 0.625000 Mg\n0.666474 0.833526 0.125000 Mg\n0.662757 0.837243 0.625000 Mg\n0.334310 0.165690 0.360282 Mg\n0.334310 0.165690 0.889718 Mg\n0.334310 0.668621 0.360282 Mg\n0.334310 0.668621 0.889718 Mg\n0.831379 0.165690 0.360282 Mg\n0.831379 0.165690 0.889718 Mg\n0.833333 0.666667 0.378219 Mg\n0.833333 0.666667 0.871781 Mg\n0.166667 0.333333 0.125000 Ti\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"Ti"
],
"chemical_system": "K-Mg-Ti",
"density": 1.8544177967747182,
"density_atomic": 0.04182263030750763,
"volume": 382.5679992472358,
"volume_molar": 14.399239635865175,
"formula_full": "K1 Mg14 Ti1",
"formula_reduced": "KMg14Ti",
"formula_anonymous": "ABC14",
"energy": -28.99561573,
"energy_per_atom": -1.812225983125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.99561573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9551504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.212000Z",
"spacegroup": 187
},
{
"id": "mp-1207503",
"created_at": "2022-09-04T14:44:27.997238Z",
"structure_string": "Zr2 Cu3 Sb1\n1.0\n2.795325 0.000000 0.000000\n0.000000 2.795325 0.000000\n0.000000 0.000000 16.111790\nZr Cu Sb\n2 3 1\ndirect\n0.500000 0.500000 0.171950 Zr\n0.500000 0.500000 0.828050 Zr\n0.500000 0.500000 0.665026 Cu\n0.500000 0.500000 0.334974 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Zr",
"density": 6.5269570003031365,
"density_atomic": 0.047658771177953856,
"volume": 125.89497907104031,
"volume_molar": 12.63595474905098,
"formula_full": "Zr2 Cu3 Sb1",
"formula_reduced": "Zr2Cu3Sb",
"formula_anonymous": "AB2C3",
"energy": -29.18782187,
"energy_per_atom": -4.864636978333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.99582187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.011000Z",
"spacegroup": 123
},
{
"id": "mp-546292",
"created_at": "2022-09-04T14:44:18.400193Z",
"structure_string": "Yb2 Cl2 O2\n1.0\n9.309661 -1.942788 0.000000\n9.309661 1.942788 0.000000\n8.904230 0.000000 3.340494\nYb Cl O\n2 2 2\ndirect\n0.386677 0.386677 0.386677 Yb\n0.613323 0.613323 0.613323 Yb\n0.111755 0.111755 0.111755 Cl\n0.888245 0.888245 0.888245 Cl\n0.304309 0.304309 0.304309 O\n0.695691 0.695691 0.695691 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Yb",
"density": 6.169937504542258,
"density_atomic": 0.049653661521187824,
"volume": 120.837010125421,
"volume_molar": 12.12829139988051,
"formula_full": "Yb2 Cl2 O2",
"formula_reduced": "YbClO",
"formula_anonymous": "ABC",
"energy": -31.59955113,
"energy_per_atom": -5.266591855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.99755113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003125,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.396000Z",
"spacegroup": 166
},
{
"id": "mp-978505",
"created_at": "2022-09-04T14:41:11.918658Z",
"structure_string": "Sm1 Lu1 Ru2\n1.0\n0.000000 3.392280 3.392280\n3.392280 0.000000 3.392280\n3.392280 3.392280 0.000000\nSm Lu Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Lu",
"Ru"
],
"chemical_system": "Lu-Ru-Sm",
"density": 11.218616962041974,
"density_atomic": 0.05123360551563429,
"volume": 78.0737556871607,
"volume_molar": 11.754278660248307,
"formula_full": "Sm1 Lu1 Ru2",
"formula_reduced": "SmLuRu2",
"formula_anonymous": "ABC2",
"energy": -28.99767536,
"energy_per_atom": -7.24941884,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.99767536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.078000Z",
"spacegroup": 225
},
{
"id": "mp-21201",
"created_at": "2022-09-04T14:43:20.119146Z",
"structure_string": "La1 Ga3 Pd2\n1.0\n2.739794 -4.745462 0.000000\n2.739794 4.745462 0.000000\n0.000000 0.000000 4.322811\nLa Ga Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ga",
"Pd"
],
"chemical_system": "Ga-La-Pd",
"density": 8.286155655682455,
"density_atomic": 0.0533775451380682,
"volume": 112.40681796961987,
"volume_molar": 11.282161336612472,
"formula_full": "La1 Ga3 Pd2",
"formula_reduced": "LaGa3Pd2",
"formula_anonymous": "AB2C3",
"energy": -28.999523759999995,
"energy_per_atom": -4.8332539599999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.999523759999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013008,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.542000Z",
"spacegroup": 191
},
{
"id": "mp-1183740",
"created_at": "2022-09-04T14:42:58.816122Z",
"structure_string": "Cr1 Co2 Ge1\n1.0\n0.000000 2.870733 2.870733\n2.870733 0.000000 2.870733\n2.870733 2.870733 0.000000\nCr Co Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Cr\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Co",
"Ge"
],
"chemical_system": "Co-Cr-Ge",
"density": 8.510535723158329,
"density_atomic": 0.08453792632905224,
"volume": 47.31604113910424,
"volume_molar": 7.123596498640912,
"formula_full": "Cr1 Co2 Ge1",
"formula_reduced": "CrCo2Ge",
"formula_anonymous": "ABC2",
"energy": -28.99979069,
"energy_per_atom": -7.2499476725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.99979069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9989286,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.228000Z",
"spacegroup": 225
},
{
"id": "mp-1028120",
"created_at": "2022-09-04T14:46:18.743789Z",
"structure_string": "Ca1 Mg14 C1\n1.0\n6.421008 -0.000000 0.000000\n-3.210504 5.560755 -0.000000\n0.000000 -0.000000 10.038642\nCa Mg C\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.181460 0.840729 0.125000 Mg\n0.151834 0.825917 0.625000 Mg\n0.659271 0.318540 0.125000 Mg\n0.674083 0.348166 0.625000 Mg\n0.659271 0.840729 0.125000 Mg\n0.674083 0.825917 0.625000 Mg\n0.324911 0.175089 0.403952 Mg\n0.324911 0.175089 0.846048 Mg\n0.324911 0.649822 0.403952 Mg\n0.324911 0.649822 0.846048 Mg\n0.850178 0.175089 0.403952 Mg\n0.850178 0.175089 0.846048 Mg\n0.833333 0.666667 0.364191 Mg\n0.833333 0.666667 0.885809 Mg\n0.166667 0.333333 0.625000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"C"
],
"chemical_system": "C-Ca-Mg",
"density": 1.8176926275203504,
"density_atomic": 0.044638340845250604,
"volume": 358.43626122816244,
"volume_molar": 13.490960116275781,
"formula_full": "Ca1 Mg14 C1",
"formula_reduced": "CaMg14C",
"formula_anonymous": "ABC14",
"energy": -29.00007001,
"energy_per_atom": -1.812504375625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.00007001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.972000Z",
"spacegroup": 187
},
{
"id": "mp-19973",
"created_at": "2022-09-04T14:40:16.107964Z",
"structure_string": "La1 Co1 Ge3\n1.0\n-2.179939 2.179939 4.961283\n2.179939 -2.179939 4.961283\n2.179939 2.179939 -4.961283\nLa Co Ge\n1 1 3\ndirect\n0.339197 0.339197 0.000000 La\n0.003793 0.003793 0.000000 Co\n0.096840 0.596840 0.500000 Ge\n0.771230 0.771230 0.000000 Ge\n0.596840 0.096840 0.500000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-La",
"density": 7.320617783002699,
"density_atomic": 0.053018487004517986,
"volume": 94.30672737933702,
"volume_molar": 11.358567737866268,
"formula_full": "La1 Co1 Ge3",
"formula_reduced": "LaCoGe3",
"formula_anonymous": "ABC3",
"energy": -29.00198128,
"energy_per_atom": -5.800396256,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.00198128,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.124000Z",
"spacegroup": 107
},
{
"id": "mp-1247376",
"created_at": "2022-09-04T14:47:56.788200Z",
"structure_string": "Sr2 Pt1 N2\n1.0\n1.185124 -2.477848 2.746836\n1.185124 -2.477848 -2.746836\n4.616148 5.252524 0.000000\nSr Pt N\n2 1 2\ndirect\n0.149406 0.649406 0.798814 Sr\n0.850594 0.350594 0.201186 Sr\n0.500000 0.000000 0.500000 Pt\n0.649726 0.149726 0.799450 N\n0.350274 0.850274 0.200550 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Pt",
"N"
],
"chemical_system": "N-Pt-Sr",
"density": 6.8166791858862785,
"density_atomic": 0.051527927816162535,
"volume": 97.03475788583279,
"volume_molar": 11.687139412020104,
"formula_full": "Sr2 Pt1 N2",
"formula_reduced": "Sr2PtN2",
"formula_anonymous": "AB2C2",
"energy": -29.72401593,
"energy_per_atom": -5.944803186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.00201593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4037624,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.026000Z",
"spacegroup": 139
},
{
"id": "mp-1096766",
"created_at": "2022-09-04T14:41:00.931972Z",
"structure_string": "Ce1 Cu1 N2\n1.0\n3.917095 0.000000 0.000000\n0.000000 3.917095 0.000000\n0.000000 0.000000 3.264182\nCe Cu N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"N"
],
"chemical_system": "Ce-Cu-N",
"density": 7.681153505847588,
"density_atomic": 0.07986516933151656,
"volume": 50.08441143342711,
"volume_molar": 7.540384388346284,
"formula_full": "Ce1 Cu1 N2",
"formula_reduced": "CeCuN2",
"formula_anonymous": "ABC2",
"energy": -29.725141930000003,
"energy_per_atom": -7.431285482500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.00314193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0121222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.097000Z",
"spacegroup": 123
},
{
"id": "mp-973869",
"created_at": "2022-09-04T14:42:39.351426Z",
"structure_string": "La1 Cd1 O3\n1.0\n4.180291 0.000000 0.000000\n0.000000 4.180291 0.000000\n0.000000 0.000000 4.180291\nLa Cd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Cd",
"O"
],
"chemical_system": "Cd-La-O",
"density": 6.803894253349305,
"density_atomic": 0.06844637605631619,
"volume": 73.04988646712441,
"volume_molar": 8.798333976140848,
"formula_full": "La1 Cd1 O3",
"formula_reduced": "LaCdO3",
"formula_anonymous": "ABC3",
"energy": -31.06514416,
"energy_per_atom": -6.213028832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.00414416,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.289000Z",
"spacegroup": 221
}
]
}