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=-id&page=12168",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12166",
"results": [
{
"id": "mp-1007730",
"created_at": "2022-09-04T14:42:02.055828Z",
"structure_string": "Hf1 Al3\n1.0\n4.093601 0.000000 0.000000\n0.000000 4.093601 0.000000\n0.000000 0.000000 4.093601\nHf Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Al"
],
"chemical_system": "Al-Hf",
"density": 6.280012235545494,
"density_atomic": 0.058310056356090496,
"volume": 68.59880181855114,
"volume_molar": 10.327791012966474,
"formula_full": "Hf1 Al3",
"formula_reduced": "HfAl3",
"formula_anonymous": "AB3",
"energy": -22.68221549,
"energy_per_atom": -5.6705538725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.68221549,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.519000Z",
"spacegroup": 221
},
{
"id": "mp-1007694",
"created_at": "2022-09-04T14:40:23.717122Z",
"structure_string": "Sn4 P4 O16 F4\n1.0\n6.446384 0.000000 0.000000\n0.000000 7.377705 0.000000\n0.000000 0.000000 7.860121\nSn P O F\n4 4 16 4\ndirect\n0.750000 0.245472 0.872061 Sn\n0.750000 0.254528 0.372061 Sn\n0.250000 0.754528 0.127939 Sn\n0.250000 0.745472 0.627939 Sn\n0.750000 0.874911 0.128254 P\n0.750000 0.625089 0.628254 P\n0.250000 0.125089 0.871746 P\n0.250000 0.374911 0.371746 P\n0.750000 0.986894 0.961519 O\n0.750000 0.513106 0.461519 O\n0.250000 0.013106 0.038481 O\n0.250000 0.486894 0.538481 O\n0.937980 0.744964 0.130754 O\n0.562020 0.755036 0.630754 O\n0.437980 0.255036 0.869246 O\n0.062020 0.244964 0.369246 O\n0.062020 0.255036 0.869246 O\n0.437980 0.244964 0.369246 O\n0.562020 0.744964 0.130754 O\n0.937980 0.755036 0.630754 O\n0.750000 0.995049 0.288770 O\n0.750000 0.504951 0.788770 O\n0.250000 0.004951 0.711230 O\n0.250000 0.495049 0.211230 O\n0.750000 0.347270 0.120412 F\n0.750000 0.152730 0.620412 F\n0.250000 0.652730 0.879588 F\n0.250000 0.847270 0.379588 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sn",
"P",
"O",
"F"
],
"chemical_system": "F-O-P-Sn",
"density": 4.134290752576547,
"density_atomic": 0.07490164256178466,
"volume": 373.82357772599494,
"volume_molar": 8.040065015974081,
"formula_full": "Sn4 P4 O16 F4",
"formula_reduced": "SnPO4F",
"formula_anonymous": "ABCD4",
"energy": -195.44608343,
"energy_per_atom": -6.980217265357142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.60608343,
"band_gap": 2.6443000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.887000Z",
"spacegroup": 62
},
{
"id": "mp-1007693",
"created_at": "2022-09-04T14:48:07.677795Z",
"structure_string": "Hf1 Os3\n1.0\n3.973561 0.000000 0.000000\n0.000000 3.973561 0.000000\n0.000000 0.000000 3.973561\nHf Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Os"
],
"chemical_system": "Hf-Os",
"density": 19.828762867743084,
"density_atomic": 0.06375589371177887,
"volume": 62.73929776724316,
"volume_molar": 9.445622058447302,
"formula_full": "Hf1 Os3",
"formula_reduced": "HfOs3",
"formula_anonymous": "AB3",
"energy": -44.02052461,
"energy_per_atom": -11.0051311525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.02052461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.701000Z",
"spacegroup": 221
},
{
"id": "mp-1007692",
"created_at": "2022-09-04T14:40:33.799630Z",
"structure_string": "Hf2 Pd2\n1.0\n1.644656 -5.170521 0.000000\n1.644656 5.170521 0.000000\n0.000000 0.000000 4.405023\nHf Pd\n2 2\ndirect\n0.856761 0.143239 0.750000 Hf\n0.143239 0.856761 0.250000 Hf\n0.589378 0.410622 0.750000 Pd\n0.410622 0.589378 0.250000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Pd"
],
"chemical_system": "Hf-Pd",
"density": 12.629880160423863,
"density_atomic": 0.05339153847480834,
"volume": 74.9182382501923,
"volume_molar": 11.279204405846853,
"formula_full": "Hf2 Pd2",
"formula_reduced": "HfPd",
"formula_anonymous": "AB",
"energy": -33.02897567,
"energy_per_atom": -8.2572439175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.02897567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.123000Z",
"spacegroup": 63
},
{
"id": "mp-1007691",
"created_at": "2022-09-04T14:45:42.293123Z",
"structure_string": "Hf2 Pt2\n1.0\n1.691138 -5.186993 0.000000\n1.691138 5.186993 0.000000\n0.000000 0.000000 4.315724\nHf Pt\n2 2\ndirect\n0.857347 0.142653 0.750000 Hf\n0.142653 0.857347 0.250000 Hf\n0.592783 0.407217 0.750000 Pt\n0.407217 0.592783 0.250000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Pt"
],
"chemical_system": "Hf-Pt",
"density": 16.38616663728141,
"density_atomic": 0.05283012310312074,
"volume": 75.71437969569514,
"volume_molar": 11.399066302089052,
"formula_full": "Hf2 Pt2",
"formula_reduced": "HfPt",
"formula_anonymous": "AB",
"energy": -36.649813,
"energy_per_atom": -9.16245325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.649813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006898,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.026000Z",
"spacegroup": 63
},
{
"id": "mp-1007690",
"created_at": "2022-09-04T14:42:01.513605Z",
"structure_string": "Hg1 Pt3\n1.0\n4.072570 0.000000 0.000000\n0.000000 4.072570 0.000000\n0.000000 0.000000 4.072570\nHg Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt",
"density": 19.3187339009912,
"density_atomic": 0.05921807940881632,
"volume": 67.54693904180358,
"volume_molar": 10.169429370422018,
"formula_full": "Hg1 Pt3",
"formula_reduced": "HgPt3",
"formula_anonymous": "AB3",
"energy": -18.22280303,
"energy_per_atom": -4.5557007575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.22280303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.72e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.196000Z",
"spacegroup": 221
},
{
"id": "mp-1007685",
"created_at": "2022-09-04T14:40:21.206319Z",
"structure_string": "In1 Ag1 Se2\n1.0\n6.752469 -2.005539 0.000000\n6.752469 2.005539 0.000000\n6.156807 0.000000 3.422243\nIn Ag Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n0.752560 0.752560 0.752560 Se\n0.247440 0.247440 0.247440 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ag",
"Se"
],
"chemical_system": "Ag-In-Se",
"density": 6.818524506371196,
"density_atomic": 0.04315443559991093,
"volume": 92.69035602931754,
"volume_molar": 13.954859277576624,
"formula_full": "In1 Ag1 Se2",
"formula_reduced": "InAgSe2",
"formula_anonymous": "ABC2",
"energy": -14.78846871,
"energy_per_atom": -3.6971171775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.84446871,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.751000Z",
"spacegroup": 166
},
{
"id": "mp-1007666",
"created_at": "2022-09-04T14:46:26.017623Z",
"structure_string": "Ho2 Au2\n1.0\n1.846390 -5.488280 0.000000\n1.846390 5.488280 0.000000\n0.000000 0.000000 4.678609\nHo Au\n2 2\ndirect\n0.860719 0.139281 0.750000 Ho\n0.139281 0.860719 0.250000 Ho\n0.587536 0.412464 0.750000 Au\n0.412464 0.587536 0.250000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Au"
],
"chemical_system": "Au-Ho",
"density": 12.675278078548107,
"density_atomic": 0.04218456201624759,
"volume": 94.82141828234178,
"volume_molar": 14.27569819897749,
"formula_full": "Ho2 Au2",
"formula_reduced": "HoAu",
"formula_anonymous": "AB",
"energy": -19.28037484,
"energy_per_atom": -4.82009371,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.28037484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001058,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.431000Z",
"spacegroup": 63
},
{
"id": "mp-1007665",
"created_at": "2022-09-04T14:42:44.265267Z",
"structure_string": "Ho1 Tl1 S2\n1.0\n7.632444 -2.005430 0.000000\n7.632444 2.005430 0.000000\n7.105516 0.000000 3.433306\nHo Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Tl\n0.732220 0.732220 0.732220 S\n0.267780 0.267780 0.267780 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Tl",
"S"
],
"chemical_system": "Ho-S-Tl",
"density": 6.848068095006081,
"density_atomic": 0.03805803395278338,
"volume": 105.10264416082532,
"volume_molar": 15.823572934617054,
"formula_full": "Ho1 Tl1 S2",
"formula_reduced": "HoTlS2",
"formula_anonymous": "ABC2",
"energy": -22.16771204,
"energy_per_atom": -5.54192801,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.16171204,
"band_gap": 1.5619,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.82e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.473000Z",
"spacegroup": 166
},
{
"id": "mp-1007664",
"created_at": "2022-09-04T14:44:57.854688Z",
"structure_string": "In1 Pd3\n1.0\n-2.085857 2.085857 3.800664\n2.085857 -2.085857 3.800664\n2.085857 2.085857 -3.800664\nIn Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Pd\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Pd"
],
"chemical_system": "In-Pd",
"density": 10.897536741101693,
"density_atomic": 0.06047438498598426,
"volume": 66.14370697489612,
"volume_molar": 9.958167844775456,
"formula_full": "In1 Pd3",
"formula_reduced": "InPd3",
"formula_anonymous": "AB3",
"energy": -20.10923607,
"energy_per_atom": -5.0273090175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.10923607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.03e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.794000Z",
"spacegroup": 139
},
{
"id": "mp-1007663",
"created_at": "2022-09-04T14:40:54.078235Z",
"structure_string": "Ho1 Tl1 Te2\n1.0\n8.337576 -2.215701 0.000000\n8.337576 2.215701 0.000000\n7.748757 0.000000 3.792266\nHo Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Tl\n0.737044 0.737044 0.737044 Te\n0.262956 0.262956 0.262956 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Tl",
"Te"
],
"chemical_system": "Ho-Te-Tl",
"density": 7.401355495811659,
"density_atomic": 0.0285482994756659,
"volume": 140.11342438836098,
"volume_molar": 21.094569100808172,
"formula_full": "Ho1 Tl1 Te2",
"formula_reduced": "HoTlTe2",
"formula_anonymous": "ABC2",
"energy": -18.24649196,
"energy_per_atom": -4.56162299,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.40249196,
"band_gap": 0.8373000000000008,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009214,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.582000Z",
"spacegroup": 166
},
{
"id": "mp-1007661",
"created_at": "2022-09-04T14:42:37.840271Z",
"structure_string": "In2 Sb2\n1.0\n2.340349 -4.053604 0.000000\n2.340349 4.053604 0.000000\n0.000000 0.000000 7.713222\nIn Sb\n2 2\ndirect\n0.666667 0.333333 0.487906 In\n0.333333 0.666667 0.987906 In\n0.666667 0.333333 0.862094 Sb\n0.333333 0.666667 0.362094 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Sb"
],
"chemical_system": "In-Sb",
"density": 5.368657231393549,
"density_atomic": 0.02733205078309621,
"volume": 146.34833045436318,
"volume_molar": 22.033256149679247,
"formula_full": "In2 Sb2",
"formula_reduced": "InSb",
"formula_anonymous": "AB",
"energy": -14.53012572,
"energy_per_atom": -3.63253143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.14612572,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005153,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.598000Z",
"spacegroup": 186
}
]
}