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=nelements&page=79",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=77",
"results": [
{
"id": "mp-1219493",
"created_at": "2022-09-04T14:48:09.023345Z",
"structure_string": "Re1 Mo3\n1.0\n1.569885 -2.233743 0.000000\n1.569885 2.233743 0.000000\n0.000000 0.000000 8.953999\nRe Mo\n1 3\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.750347 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.500000 0.249653 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"Mo"
],
"chemical_system": "Mo-Re",
"density": 12.534415736537218,
"density_atomic": 0.06369596325599332,
"volume": 62.79832811263168,
"volume_molar": 9.454509284673328,
"formula_full": "Re1 Mo3",
"formula_reduced": "ReMo3",
"formula_anonymous": "AB3",
"energy": -44.73776103,
"energy_per_atom": -11.1844402575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.73776103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.804000Z",
"spacegroup": 65
},
{
"id": "mp-23253",
"created_at": "2022-09-04T14:48:00.855555Z",
"structure_string": "Rb2 Bi4\n1.0\n0.000000 4.855587 4.855587\n4.855587 0.000000 4.855587\n4.855587 4.855587 0.000000\nRb Bi\n2 4\ndirect\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Rb\n0.625000 0.125000 0.625000 Bi\n0.625000 0.625000 0.125000 Bi\n0.125000 0.625000 0.625000 Bi\n0.625000 0.625000 0.625000 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Bi"
],
"chemical_system": "Bi-Rb",
"density": 7.302335154435805,
"density_atomic": 0.026205716277485514,
"volume": 228.95767993774948,
"volume_molar": 22.980256277802592,
"formula_full": "Rb2 Bi4",
"formula_reduced": "RbBi2",
"formula_anonymous": "AB2",
"energy": -19.46017102,
"energy_per_atom": -3.2433618366666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.46017102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.89e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.214000Z",
"spacegroup": 227
},
{
"id": "mp-978846",
"created_at": "2022-09-04T14:48:00.709210Z",
"structure_string": "Sn2 I4\n1.0\n7.630706 0.000000 0.000000\n0.000000 7.630706 0.000000\n0.000000 0.000000 4.695760\nSn I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.298521 0.298521 0.000000 I\n0.701479 0.701479 0.000000 I\n0.201479 0.798521 0.500000 I\n0.798521 0.201479 0.500000 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sn",
"I"
],
"chemical_system": "I-Sn",
"density": 4.524724251448961,
"density_atomic": 0.02194400613710631,
"volume": 273.4231827366414,
"volume_molar": 27.443214891454275,
"formula_full": "Sn2 I4",
"formula_reduced": "SnI2",
"formula_anonymous": "AB2",
"energy": -18.54690757,
"energy_per_atom": -3.0911512616666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.03090757,
"band_gap": 1.1995999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.892000Z",
"spacegroup": 136
},
{
"id": "mp-21589",
"created_at": "2022-09-04T14:48:00.663731Z",
"structure_string": "Ga9 Ni13\n1.0\n3.951121 4.975802 0.000000\n-3.951121 4.975802 0.000000\n0.000000 4.949126 6.882082\nGa Ni\n9 13\ndirect\n0.171437 0.750668 0.308953 Ga\n0.249332 0.828563 0.691047 Ga\n0.828563 0.249332 0.691047 Ga\n0.750668 0.171437 0.308953 Ga\n0.829572 0.829572 0.112759 Ga\n0.170428 0.170428 0.887241 Ga\n0.291915 0.291915 0.167341 Ga\n0.708085 0.708085 0.832659 Ga\n0.500000 0.500000 0.500000 Ga\n0.065170 0.542259 0.660919 Ni\n0.457741 0.934830 0.339081 Ni\n0.934830 0.457741 0.339081 Ni\n0.542259 0.065170 0.660919 Ni\n0.550870 0.550870 0.178754 Ni\n0.449130 0.449130 0.821246 Ni\n0.741798 0.741798 0.512365 Ni\n0.258202 0.258202 0.487635 Ni\n0.259901 0.740099 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.740099 0.259901 0.000000 Ni\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni",
"density": 8.532837073420756,
"density_atomic": 0.08129978967835737,
"volume": 270.603406073221,
"volume_molar": 7.407326370492616,
"formula_full": "Ga9 Ni13",
"formula_reduced": "Ga9Ni13",
"formula_anonymous": "A9B13",
"energy": -110.96172058,
"energy_per_atom": -5.043714571818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.96172058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0508336,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.021000Z",
"spacegroup": 12
},
{
"id": "mp-545665",
"created_at": "2022-09-04T14:48:00.803587Z",
"structure_string": "W3 O9\n1.0\n3.754078 -6.502254 0.000000\n3.754078 6.502254 0.000000\n0.000000 0.000000 3.862553\nW O\n3 9\ndirect\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.786072 0.213928 0.000000 O\n0.786072 0.572144 0.000000 O\n0.213928 0.786072 0.000000 O\n0.572144 0.786072 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.427856 0.213928 0.000000 O\n0.213928 0.427856 0.000000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.124683891961332,
"density_atomic": 0.06363698220680111,
"volume": 188.569595600929,
"volume_molar": 9.463272064708928,
"formula_full": "W3 O9",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy": -109.56532103,
"energy_per_atom": -9.130443419166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.06832103,
"band_gap": 1.1401,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004554,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.237000Z",
"spacegroup": 191
},
{
"id": "mp-1183371",
"created_at": "2022-09-04T14:47:14.627858Z",
"structure_string": "Ba6 Pm2\n1.0\n4.259234 -7.377209 0.000000\n4.259234 7.377209 0.000000\n0.000000 0.000000 6.762767\nBa Pm\n6 2\ndirect\n0.827444 0.172556 0.750000 Ba\n0.345112 0.172556 0.750000 Ba\n0.827444 0.654888 0.750000 Ba\n0.172556 0.827444 0.250000 Ba\n0.654888 0.827444 0.250000 Ba\n0.172556 0.345112 0.250000 Ba\n0.666667 0.333333 0.250000 Pm\n0.333333 0.666667 0.750000 Pm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Pm"
],
"chemical_system": "Ba-Pm",
"density": 4.35252691334054,
"density_atomic": 0.01882400278852112,
"volume": 424.98931230919715,
"volume_molar": 31.991818252769825,
"formula_full": "Ba6 Pm2",
"formula_reduced": "Ba3Pm",
"formula_anonymous": "AB3",
"energy": -19.48853975,
"energy_per_atom": -2.43606746875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.48853975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.09834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.605000Z",
"spacegroup": 194
},
{
"id": "mp-1009694",
"created_at": "2022-09-04T14:48:01.104379Z",
"structure_string": "Re1 N1\n1.0\n0.000000 2.179033 2.179033\n2.179033 0.000000 2.179033\n2.179033 2.179033 0.000000\nRe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 16.06650713347729,
"density_atomic": 0.09665149538995656,
"volume": 20.692902804355658,
"volume_molar": 6.230778671041426,
"formula_full": "Re1 N1",
"formula_reduced": "ReN",
"formula_anonymous": "AB",
"energy": -19.03797118,
"energy_per_atom": -9.51898559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.67697118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.745000Z",
"spacegroup": 225
},
{
"id": "mp-727323",
"created_at": "2022-09-04T14:48:00.721566Z",
"structure_string": "Pb2 S2\n1.0\n3.001908 3.001902 0.000000\n-3.001908 3.001902 0.000000\n0.000000 1.122255 11.256339\nPb S\n2 2\ndirect\n0.773824 0.773824 0.374902 Pb\n0.226176 0.226176 0.625098 Pb\n0.271080 0.271080 0.385884 S\n0.728920 0.728920 0.614116 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 3.9168525170193615,
"density_atomic": 0.019716914050782477,
"volume": 202.87150360840863,
"volume_molar": 30.543018773067114,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy": -18.60412311,
"energy_per_atom": -4.6510307775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.59812311,
"band_gap": 1.654,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.220000Z",
"spacegroup": 12
},
{
"id": "mp-2470",
"created_at": "2022-09-04T14:48:01.200129Z",
"structure_string": "Dy1 S1\n1.0\n0.000000 2.760718 2.760718\n2.760718 0.000000 2.760718\n2.760718 2.760718 0.000000\nDy S\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"S"
],
"chemical_system": "Dy-S",
"density": 7.677462070644812,
"density_atomic": 0.047526284054132936,
"volume": 42.081977158617725,
"volume_molar": 12.67117949541504,
"formula_full": "Dy1 S1",
"formula_reduced": "DyS",
"formula_anonymous": "AB",
"energy": -13.22618664,
"energy_per_atom": -6.61309332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.72318664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005408,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.024000Z",
"spacegroup": 225
},
{
"id": "mp-1908",
"created_at": "2022-09-04T14:48:01.242830Z",
"structure_string": "Pr20 Ge16\n1.0\n8.017251 0.000000 0.000000\n0.000000 8.110656 0.000000\n0.000000 0.000000 15.358135\nPr Ge\n20 16\ndirect\n0.380298 0.160058 0.114331 Pr\n0.880298 0.339942 0.385669 Pr\n0.119702 0.660058 0.885669 Pr\n0.619702 0.839942 0.614331 Pr\n0.380298 0.160058 0.385669 Pr\n0.880298 0.339942 0.114331 Pr\n0.119702 0.660058 0.614331 Pr\n0.619702 0.839942 0.885669 Pr\n0.024647 0.820998 0.397233 Pr\n0.524647 0.679002 0.102767 Pr\n0.475353 0.320998 0.602767 Pr\n0.975353 0.179002 0.897233 Pr\n0.975353 0.179002 0.602767 Pr\n0.475353 0.320998 0.897233 Pr\n0.524647 0.679002 0.397233 Pr\n0.024647 0.820998 0.102767 Pr\n0.285058 0.997252 0.750000 Pr\n0.785058 0.502748 0.750000 Pr\n0.214942 0.497252 0.250000 Pr\n0.714942 0.002748 0.250000 Pr\n0.777574 0.531935 0.545042 Ge\n0.277574 0.968065 0.954958 Ge\n0.722426 0.031935 0.454958 Ge\n0.222426 0.468065 0.045042 Ge\n0.222426 0.468065 0.454958 Ge\n0.722426 0.031935 0.045042 Ge\n0.277574 0.968065 0.545042 Ge\n0.777574 0.531935 0.954958 Ge\n0.910447 0.891392 0.750000 Ge\n0.410447 0.608608 0.750000 Ge\n0.589553 0.391392 0.250000 Ge\n0.089553 0.108608 0.250000 Ge\n0.175324 0.367676 0.750000 Ge\n0.675324 0.132324 0.750000 Ge\n0.324676 0.867676 0.250000 Ge\n0.824676 0.632324 0.250000 Ge\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Pr",
"Ge"
],
"chemical_system": "Ge-Pr",
"density": 6.618431953913028,
"density_atomic": 0.0360481148124297,
"volume": 998.665261340848,
"volume_molar": 16.705841044213262,
"formula_full": "Pr20 Ge16",
"formula_reduced": "Pr5Ge4",
"formula_anonymous": "A4B5",
"energy": -197.85687473,
"energy_per_atom": -5.496024298055556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.85687473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.514474,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.490000Z",
"spacegroup": 62
},
{
"id": "mp-2765",
"created_at": "2022-09-04T14:48:00.878817Z",
"structure_string": "Pu1 B1\n1.0\n0.000000 2.580543 2.580543\n2.580543 0.000000 2.580543\n2.580543 2.580543 0.000000\nPu B\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"B"
],
"chemical_system": "B-Pu",
"density": 12.311301678691695,
"density_atomic": 0.058192457683166755,
"volume": 34.36871511578273,
"volume_molar": 10.348662008379165,
"formula_full": "Pu1 B1",
"formula_reduced": "PuB",
"formula_anonymous": "AB",
"energy": -19.94322338,
"energy_per_atom": -9.97161169,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.94322338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0944544,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.339000Z",
"spacegroup": 225
},
{
"id": "mp-2849",
"created_at": "2022-09-04T14:48:01.325690Z",
"structure_string": "U3 S6\n1.0\n3.624851 -6.278426 0.000000\n3.624851 6.278426 0.000000\n0.000000 0.000000 3.933955\nU S\n3 6\ndirect\n0.666667 0.333333 0.500000 U\n0.333333 0.666667 0.500000 U\n0.000000 0.000000 0.000000 U\n0.000000 0.591940 0.000000 S\n0.408060 0.408060 0.000000 S\n0.591940 0.000000 0.000000 S\n0.257859 0.000000 0.500000 S\n0.742141 0.742141 0.500000 S\n0.000000 0.257859 0.500000 S\n",
"nsites": 9,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 8.40631063965021,
"density_atomic": 0.050262280164189536,
"volume": 179.06071850700175,
"volume_molar": 11.981431682621128,
"formula_full": "U3 S6",
"formula_reduced": "US2",
"formula_anonymous": "AB2",
"energy": -74.04127503,
"energy_per_atom": -8.226808336666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.02327503,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.992622,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.874000Z",
"spacegroup": 189
}
]
}