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_per_atom&page=12164",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=12162",
"results": [
{
"id": "mp-1220357",
"created_at": "2022-09-04T14:45:28.320692Z",
"structure_string": "Nb1 Re1 Mo1\n1.0\n0.000000 2.267261 6.780436\n1.596654 0.000000 6.780436\n1.596654 2.267261 0.000000\nNb Re Mo\n1 1 1\ndirect\n0.667849 0.667849 0.332151 Nb\n0.335704 0.335704 0.664296 Re\n0.996449 0.996449 0.003551 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"Re",
"Mo"
],
"chemical_system": "Mo-Nb-Re",
"density": 12.686511967537623,
"density_atomic": 0.06111126969313406,
"volume": 49.090781701383214,
"volume_molar": 9.854386580805402,
"formula_full": "Nb1 Re1 Mo1",
"formula_reduced": "NbReMo",
"formula_anonymous": "ABC",
"energy": -33.57471481,
"energy_per_atom": -11.191571603333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.57471481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.084000Z",
"spacegroup": 42
},
{
"id": "mp-1184763",
"created_at": "2022-09-04T14:44:59.618834Z",
"structure_string": "Gd1 Zr1\n1.0\n1.696954 -2.939210 0.000000\n1.696954 2.939210 0.000000\n0.000000 0.000000 5.446174\nGd Zr\n1 1\ndirect\n0.666667 0.333333 0.500000 Gd\n0.333333 0.666667 0.000000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"Zr"
],
"chemical_system": "Gd-Zr",
"density": 7.594651575784616,
"density_atomic": 0.03681355862451297,
"volume": 54.32780950082517,
"volume_molar": 16.358485799821725,
"formula_full": "Gd1 Zr1",
"formula_reduced": "GdZr",
"formula_anonymous": "AB",
"energy": -22.38838992,
"energy_per_atom": -11.19419496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.38838992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3537938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.609000Z",
"spacegroup": 187
},
{
"id": "mp-1106195",
"created_at": "2022-09-04T14:39:36.226400Z",
"structure_string": "P4 W12\n1.0\n-4.953192 4.953192 2.428905\n4.953192 -4.953192 2.428905\n4.953192 4.953192 -2.428905\nP W\n4 12\ndirect\n0.508689 0.791294 0.300954 P\n0.490340 0.207734 0.699046 P\n0.792266 0.491311 0.282606 P\n0.208706 0.509660 0.717394 P\n0.328296 0.323285 0.187525 W\n0.135760 0.140771 0.812475 W\n0.859229 0.671704 0.994990 W\n0.676715 0.864240 0.005010 W\n0.003087 0.353928 0.359047 W\n0.994881 0.644039 0.640953 W\n0.355961 0.996913 0.350842 W\n0.646072 0.005119 0.649158 W\n0.935876 0.924734 0.399087 W\n0.525647 0.536789 0.600913 W\n0.463211 0.064124 0.988858 W\n0.075266 0.474353 0.011142 W\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"W"
],
"chemical_system": "P-W",
"density": 16.23153235346597,
"density_atomic": 0.06712420217598551,
"volume": 238.3640994056268,
"volume_molar": 8.971638492195732,
"formula_full": "P4 W12",
"formula_reduced": "PW3",
"formula_anonymous": "AB3",
"energy": -179.11441821,
"energy_per_atom": -11.194651138125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.11441821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001183,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.959000Z",
"spacegroup": 82
},
{
"id": "mp-1187511",
"created_at": "2022-09-04T14:47:35.668729Z",
"structure_string": "Ti1 Re2 Mo1\n1.0\n0.000000 3.127954 3.127954\n3.127954 0.000000 3.127954\n3.127954 3.127954 0.000000\nTi Re Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Mo"
],
"chemical_system": "Mo-Re-Ti",
"density": 14.00469634101893,
"density_atomic": 0.0653505011968273,
"volume": 61.208405853728884,
"volume_molar": 9.215140893659083,
"formula_full": "Ti1 Re2 Mo1",
"formula_reduced": "TiRe2Mo",
"formula_anonymous": "ABC2",
"energy": -44.78230023,
"energy_per_atom": -11.1955750575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.78230023,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.351000Z",
"spacegroup": 225
},
{
"id": "mp-1209828",
"created_at": "2022-09-04T14:44:30.176545Z",
"structure_string": "P4 W12\n1.0\n-4.941775 4.941775 2.430938\n4.941775 -4.941775 2.430938\n4.941775 4.941775 -2.430938\nP W\n4 12\ndirect\n0.292385 0.000000 0.292385 P\n0.707615 0.000000 0.707615 P\n0.000000 0.707615 0.707615 P\n0.000000 0.292385 0.292385 P\n0.362362 0.362362 0.188289 W\n0.174072 0.174072 0.811711 W\n0.825928 0.637638 0.000000 W\n0.637638 0.825928 0.000000 W\n0.573521 0.573521 0.601266 W\n0.972255 0.972255 0.398734 W\n0.027745 0.426479 0.000000 W\n0.426479 0.027745 0.000000 W\n0.854146 0.500000 0.354146 W\n0.145854 0.500000 0.645854 W\n0.500000 0.145854 0.645854 W\n0.500000 0.854146 0.354146 W\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"W"
],
"chemical_system": "P-W",
"density": 16.292981251791442,
"density_atomic": 0.06737831917399092,
"volume": 237.4651103819201,
"volume_molar": 8.937802001930375,
"formula_full": "P4 W12",
"formula_reduced": "PW3",
"formula_anonymous": "AB3",
"energy": -179.17479806,
"energy_per_atom": -11.19842487875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.17479806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.59e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.299000Z",
"spacegroup": 121
},
{
"id": "mp-43",
"created_at": "2022-09-04T14:43:49.022652Z",
"structure_string": "U30\n1.0\n10.418496 0.000000 0.000000\n0.000000 10.418496 0.000000\n0.000000 0.000000 5.705748\nU\n30\ndirect\n0.000000 0.000000 0.731135 U\n0.500000 0.500000 0.231135 U\n0.109704 0.109704 0.267422 U\n0.609704 0.390296 0.767422 U\n0.390296 0.609704 0.767422 U\n0.890296 0.890296 0.267422 U\n0.322935 0.322935 0.947577 U\n0.822935 0.177065 0.447577 U\n0.177065 0.822935 0.447577 U\n0.677065 0.677065 0.947577 U\n0.676856 0.676856 0.498668 U\n0.176856 0.823144 0.998668 U\n0.823144 0.176856 0.998668 U\n0.323144 0.323144 0.498668 U\n0.228846 0.555697 0.249766 U\n0.055697 0.271154 0.749766 U\n0.944303 0.728846 0.749766 U\n0.771154 0.444303 0.249766 U\n0.728846 0.944303 0.749766 U\n0.271154 0.055697 0.749766 U\n0.444303 0.771154 0.249766 U\n0.555697 0.228846 0.249766 U\n0.049696 0.358722 0.190617 U\n0.858722 0.450304 0.690617 U\n0.141278 0.549696 0.690617 U\n0.950304 0.641278 0.190617 U\n0.549696 0.141278 0.690617 U\n0.450304 0.858722 0.690617 U\n0.641278 0.950304 0.190617 U\n0.358722 0.049696 0.190617 U\n",
"nsites": 30,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.145971790671382,
"density_atomic": 0.04843938374975437,
"volume": 619.3307527400599,
"volume_molar": 12.432323233324656,
"formula_full": "U30",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -336.05216356,
"energy_per_atom": -11.201738785333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -336.05216356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1589516,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.338000Z",
"spacegroup": 102
},
{
"id": "mp-1206890",
"created_at": "2022-09-04T14:48:30.961190Z",
"structure_string": "Pu2 Te1 O2\n1.0\n-1.992272 1.992272 6.273179\n1.992272 -1.992272 6.273179\n1.992272 1.992272 -6.273179\nPu Te O\n2 1 2\ndirect\n0.342235 0.342235 0.000000 Pu\n0.657765 0.657765 0.000000 Pu\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"Te",
"O"
],
"chemical_system": "O-Pu-Te",
"density": 10.79717645399687,
"density_atomic": 0.05020246828669006,
"volume": 99.59669654979147,
"volume_molar": 11.995706517077013,
"formula_full": "Pu2 Te1 O2",
"formula_reduced": "Pu2TeO2",
"formula_anonymous": "AB2C2",
"energy": -56.03207728,
"energy_per_atom": -11.206415456,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.23607728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9988118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.006000Z",
"spacegroup": 139
},
{
"id": "mp-30744",
"created_at": "2022-09-04T14:40:39.326498Z",
"structure_string": "Ir2 W2\n1.0\n2.782327 0.000000 0.000000\n0.000000 4.495582 0.000000\n0.000000 0.000000 4.866416\nIr W\n2 2\ndirect\n0.500000 0.250000 0.324421 Ir\n0.500000 0.750000 0.675579 Ir\n0.000000 0.250000 0.827668 W\n0.000000 0.750000 0.172332 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"W"
],
"chemical_system": "Ir-W",
"density": 20.517736357028184,
"density_atomic": 0.0657138127790698,
"volume": 60.870003289080515,
"volume_molar": 9.164193196712645,
"formula_full": "Ir2 W2",
"formula_reduced": "IrW",
"formula_anonymous": "AB",
"energy": -44.82599066,
"energy_per_atom": -11.206497665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.82599066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001356,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.280000Z",
"spacegroup": 51
},
{
"id": "mp-15671",
"created_at": "2022-09-04T14:48:16.522912Z",
"structure_string": "Re6 B2\n1.0\n1.455842 -4.705123 0.000000\n1.455842 4.705123 0.000000\n0.000000 0.000000 7.368135\nRe B\n6 2\ndirect\n0.133089 0.866911 0.434569 Re\n0.866911 0.133089 0.565431 Re\n0.576551 0.423449 0.750000 Re\n0.423449 0.576551 0.250000 Re\n0.133089 0.866911 0.065431 Re\n0.866911 0.133089 0.934569 Re\n0.744825 0.255175 0.250000 B\n0.255175 0.744825 0.750000 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"B"
],
"chemical_system": "B-Re",
"density": 18.734761417562055,
"density_atomic": 0.07925327020649713,
"volume": 100.9422069165818,
"volume_molar": 7.598602233458765,
"formula_full": "Re6 B2",
"formula_reduced": "Re3B",
"formula_anonymous": "AB3",
"energy": -89.65311164,
"energy_per_atom": -11.206638955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.65311164,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:52.359000Z",
"spacegroup": 63
},
{
"id": "mp-570604",
"created_at": "2022-09-04T14:47:15.913512Z",
"structure_string": "Ta2 N2\n1.0\n1.460885 -2.530327 0.000000\n1.460885 2.530327 0.000000\n0.000000 0.000000 5.916515\nTa N\n2 2\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 14.80211896662278,
"density_atomic": 0.09144739661317333,
"volume": 43.74099370942382,
"volume_molar": 6.58536052751062,
"formula_full": "Ta2 N2",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy": -44.82891072,
"energy_per_atom": -11.20722768,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.10691072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.21e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.749000Z",
"spacegroup": 194
},
{
"id": "mp-1217376",
"created_at": "2022-09-04T14:47:36.200175Z",
"structure_string": "Tc2 W4 C2\n1.0\n1.494090 -2.587840 0.000000\n1.494090 2.587840 0.000000\n0.000000 0.000000 13.850043\nTc W C\n2 4 2\ndirect\n0.666667 0.333333 0.411550 Tc\n0.666667 0.333333 0.091829 Tc\n0.333333 0.666667 0.916989 W\n0.333333 0.666667 0.570969 W\n0.333333 0.666667 0.258594 W\n0.666667 0.333333 0.748857 W\n0.000000 0.000000 0.007566 C\n0.000000 0.000000 0.660312 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tc",
"W",
"C"
],
"chemical_system": "C-Tc-W",
"density": 14.812575654834184,
"density_atomic": 0.07469554307202333,
"volume": 107.10143699318442,
"volume_molar": 8.062249114640347,
"formula_full": "Tc2 W4 C2",
"formula_reduced": "TcW2C",
"formula_anonymous": "ABC2",
"energy": -89.66743602,
"energy_per_atom": -11.2084295025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.66743602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.589000Z",
"spacegroup": 156
},
{
"id": "mp-570960",
"created_at": "2022-09-04T14:41:28.114059Z",
"structure_string": "Hf4 Os8\n1.0\n2.607903 -4.517021 0.000000\n2.607903 4.517021 0.000000\n0.000000 0.000000 8.560314\nHf Os\n4 8\ndirect\n0.333333 0.666667 0.433751 Hf\n0.666667 0.333333 0.566249 Hf\n0.666667 0.333333 0.933751 Hf\n0.333333 0.666667 0.066249 Hf\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.827126 0.172874 0.250000 Os\n0.827126 0.654252 0.250000 Os\n0.345748 0.172874 0.250000 Os\n0.172874 0.827126 0.750000 Os\n0.172874 0.345748 0.750000 Os\n0.654252 0.827126 0.750000 Os\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"Os"
],
"chemical_system": "Hf-Os",
"density": 18.408517502191824,
"density_atomic": 0.05950014327905885,
"volume": 201.68018661264998,
"volume_molar": 10.12122060237038,
"formula_full": "Hf4 Os8",
"formula_reduced": "HfOs2",
"formula_anonymous": "AB2",
"energy": -134.54029958,
"energy_per_atom": -11.211691631666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.54029958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013311,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.379000Z",
"spacegroup": 194
}
]
}