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=10230",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10228",
"results": [
{
"id": "mp-1078140",
"created_at": "2022-09-04T14:48:08.656518Z",
"structure_string": "Mn1 In2 Se4\n1.0\n13.468544 -2.105984 0.000000\n13.468544 2.105984 0.000000\n13.139245 0.000000 3.632777\nMn In Se\n1 2 4\ndirect\n0.232517 0.232517 0.232517 Mn\n0.997112 0.997112 0.997112 In\n0.766359 0.766359 0.766359 In\n0.883094 0.883094 0.883094 Se\n0.126854 0.126854 0.126854 Se\n0.296875 0.296875 0.296875 Se\n0.701189 0.701189 0.701189 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"In",
"Se"
],
"chemical_system": "In-Mn-Se",
"density": 4.837884419632604,
"density_atomic": 0.03396671821025552,
"volume": 206.0840837395501,
"volume_molar": 17.7295337239314,
"formula_full": "Mn1 In2 Se4",
"formula_reduced": "Mn(InSe2)2",
"formula_anonymous": "AB2C4",
"energy": -33.62325837,
"energy_per_atom": -4.803322624285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.73525837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8201189,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.009000Z",
"spacegroup": 160
},
{
"id": "mp-5928",
"created_at": "2022-09-04T14:41:05.594973Z",
"structure_string": "Al2 Cd1 S4\n1.0\n-2.819748 2.819748 5.127764\n2.819748 -2.819748 5.127764\n2.819748 2.819748 -5.127764\nAl Cd S\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Cd\n0.101664 0.646377 0.016321 S\n0.630056 0.085343 0.983679 S\n0.353623 0.369944 0.455287 S\n0.914657 0.898336 0.544713 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cd",
"S"
],
"chemical_system": "Al-Cd-S",
"density": 3.0000152210401643,
"density_atomic": 0.04292293642618353,
"volume": 163.08297108326244,
"volume_molar": 14.030122963177371,
"formula_full": "Al2 Cd1 S4",
"formula_reduced": "Al2CdS4",
"formula_anonymous": "AB2C4",
"energy": -33.74516239,
"energy_per_atom": -4.820737484285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.73316239,
"band_gap": 2.7263,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.61e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.183000Z",
"spacegroup": 82
},
{
"id": "mp-1225210",
"created_at": "2022-09-04T14:41:32.326457Z",
"structure_string": "Fe3 Si1\n1.0\n2.835638 0.000000 0.000000\n0.000000 2.835638 0.000000\n0.000000 0.000000 5.507041\nFe Si\n3 1\ndirect\n0.500000 0.500000 0.757765 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.242235 Fe\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Si"
],
"chemical_system": "Fe-Si",
"density": 7.335734032422948,
"density_atomic": 0.09033168392155211,
"volume": 44.28125134336885,
"volume_molar": 6.666698215467658,
"formula_full": "Fe3 Si1",
"formula_reduced": "Fe3Si",
"formula_anonymous": "AB3",
"energy": -31.66122675,
"energy_per_atom": -7.9153066875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.73222675,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0418083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.313000Z",
"spacegroup": 123
},
{
"id": "mp-1112938",
"created_at": "2022-09-04T14:42:04.231045Z",
"structure_string": "Cs2 Sc1 Ag1 I6\n1.0\n0.000000 5.975392 5.975392\n5.975392 0.000000 5.975392\n5.975392 5.975392 0.000000\nCs Sc Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.756333 0.243667 0.243667 I\n0.243667 0.243667 0.756333 I\n0.243667 0.756333 0.756333 I\n0.243667 0.756333 0.243667 I\n0.756333 0.243667 0.756333 I\n0.756333 0.756333 0.243667 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Sc",
"Ag",
"I"
],
"chemical_system": "Ag-Cs-I-Sc",
"density": 4.592240908229201,
"density_atomic": 0.02343531527226728,
"volume": 426.7064421289749,
"volume_molar": 25.696862576994814,
"formula_full": "Cs2 Sc1 Ag1 I6",
"formula_reduced": "Cs2ScAgI6",
"formula_anonymous": "ABC2D6",
"energy": -34.0053075,
"energy_per_atom": -3.40053075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.7313075,
"band_gap": 2.0571,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001463,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.245000Z",
"spacegroup": 225
},
{
"id": "mp-19814",
"created_at": "2022-09-04T14:40:13.105707Z",
"structure_string": "Ni2 As4\n1.0\n3.599740 0.000000 0.000000\n0.000000 4.754731 0.000000\n0.000000 0.000000 5.827765\nNi As\n2 4\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.706969 0.131347 As\n0.500000 0.293031 0.868653 As\n0.000000 0.793031 0.631347 As\n0.000000 0.206969 0.368653 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"As"
],
"chemical_system": "As-Ni",
"density": 6.943241404113259,
"density_atomic": 0.06015228561415094,
"volume": 99.74683320409838,
"volume_molar": 10.011491165322036,
"formula_full": "Ni2 As4",
"formula_reduced": "NiAs2",
"formula_anonymous": "AB2",
"energy": -31.73095761,
"energy_per_atom": -5.288492935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.73095761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001011,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.276000Z",
"spacegroup": 58
},
{
"id": "mp-1220945",
"created_at": "2022-09-04T14:43:24.142678Z",
"structure_string": "Na1 Pr2 Se3\n1.0\n-2.127901 3.018684 6.440499\n2.127901 -3.018684 6.440499\n2.127901 3.018684 -6.440499\nNa Pr Se\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.663743 0.663743 0.000000 Pr\n0.336257 0.336257 0.000000 Pr\n0.500000 0.000000 0.500000 Se\n0.166562 0.666562 0.500000 Se\n0.833438 0.333438 0.500000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Pr",
"Se"
],
"chemical_system": "Na-Pr-Se",
"density": 5.43559865580189,
"density_atomic": 0.03625790196683184,
"volume": 165.4811689183976,
"volume_molar": 16.609181539265457,
"formula_full": "Na1 Pr2 Se3",
"formula_reduced": "NaPr2Se3",
"formula_anonymous": "AB2C3",
"energy": -33.14695196,
"energy_per_atom": -5.524491993333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.73095196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.686000Z",
"spacegroup": 71
},
{
"id": "mp-1080561",
"created_at": "2022-09-04T14:45:31.416237Z",
"structure_string": "Ca2 Ga4 Ni2\n1.0\n2.039221 -5.189782 0.000000\n2.039221 5.189782 0.000000\n0.000000 0.000000 6.981704\nCa Ga Ni\n2 4 2\ndirect\n0.556785 0.443215 0.750000 Ca\n0.443215 0.556785 0.250000 Ca\n0.837469 0.162531 0.943675 Ga\n0.162531 0.837469 0.056325 Ga\n0.837469 0.162531 0.556325 Ga\n0.162531 0.837469 0.443675 Ga\n0.717518 0.282482 0.250000 Ni\n0.282482 0.717518 0.750000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Ni"
],
"chemical_system": "Ca-Ga-Ni",
"density": 5.353622384465405,
"density_atomic": 0.0541358735109678,
"volume": 147.77631690711002,
"volume_molar": 11.124122267612304,
"formula_full": "Ca2 Ga4 Ni2",
"formula_reduced": "CaGa2Ni",
"formula_anonymous": "ABC2",
"energy": -31.72804507,
"energy_per_atom": -3.96600563375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.72804507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000177,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.979000Z",
"spacegroup": 63
},
{
"id": "mp-1026746",
"created_at": "2022-09-04T14:47:01.887240Z",
"structure_string": "La1 Mg14 C1\n1.0\n6.442770 0.000000 -0.000000\n-3.221385 5.579602 0.000000\n-0.000000 0.000000 10.136672\nLa Mg C\n1 14 1\ndirect\n0.166667 0.333333 0.125000 La\n0.185446 0.842723 0.125000 Mg\n0.152813 0.826406 0.625000 Mg\n0.657277 0.314554 0.125000 Mg\n0.673594 0.347187 0.625000 Mg\n0.657277 0.842723 0.125000 Mg\n0.673594 0.826406 0.625000 Mg\n0.324851 0.175149 0.403948 Mg\n0.324851 0.175149 0.846052 Mg\n0.324851 0.649704 0.403948 Mg\n0.324851 0.649704 0.846052 Mg\n0.850296 0.175149 0.403948 Mg\n0.850296 0.175149 0.846052 Mg\n0.833333 0.666667 0.362298 Mg\n0.833333 0.666667 0.887702 Mg\n0.166667 0.333333 0.625000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"C"
],
"chemical_system": "C-La-Mg",
"density": 2.238329325486128,
"density_atomic": 0.04390851402016163,
"volume": 364.3940214568232,
"volume_molar": 13.71520055822156,
"formula_full": "La1 Mg14 C1",
"formula_reduced": "LaMg14C",
"formula_anonymous": "ABC14",
"energy": -31.7274437,
"energy_per_atom": -1.98296523125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.7274437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3579297,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.954000Z",
"spacegroup": 187
},
{
"id": "mp-1178645",
"created_at": "2022-09-04T14:47:00.506637Z",
"structure_string": "Zn1 In1 Cu3 Se4\n1.0\n5.857754 0.000000 0.000000\n0.000000 5.857754 0.000000\n0.000000 0.000000 5.857754\nZn In Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.257217 0.257217 0.257217 Se\n0.742783 0.742783 0.257217 Se\n0.257217 0.742783 0.742783 Se\n0.742783 0.257217 0.742783 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Zn",
"In",
"Cu",
"Se"
],
"chemical_system": "Cu-In-Se-Zn",
"density": 5.673171588242709,
"density_atomic": 0.04477639464493958,
"volume": 200.99876444646128,
"volume_molar": 13.449365023140816,
"formula_full": "Zn1 In1 Cu3 Se4",
"formula_reduced": "ZnInCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -33.61503898,
"energy_per_atom": -3.7350043311111114,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.72703898,
"band_gap": 0.7565,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.288000Z",
"spacegroup": 215
},
{
"id": "mp-631560",
"created_at": "2022-09-04T14:45:55.727308Z",
"structure_string": "Sr1 Mn1 Re2\n1.0\n0.000000 3.224089 3.224089\n3.224089 0.000000 3.224089\n3.224089 3.224089 0.000000\nSr Mn Re\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Re\n0.750000 0.750000 0.750000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Re"
],
"chemical_system": "Mn-Re-Sr",
"density": 12.757973344201735,
"density_atomic": 0.05967726758267952,
"volume": 67.02719749120925,
"volume_molar": 10.091180451009524,
"formula_full": "Sr1 Mn1 Re2",
"formula_reduced": "SrMnRe2",
"formula_anonymous": "ABC2",
"energy": -31.7256209,
"energy_per_atom": -7.931405225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.7256209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5070017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.333000Z",
"spacegroup": 216
},
{
"id": "mp-1110792",
"created_at": "2022-09-04T14:48:09.707179Z",
"structure_string": "Na3 In1 Cl6\n1.0\n0.000000 5.214730 5.214730\n5.214730 0.000000 5.214730\n5.214730 5.214730 0.000000\nNa In Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.758136 0.241864 0.241864 Cl\n0.241864 0.241864 0.758136 Cl\n0.241864 0.758136 0.758136 Cl\n0.241864 0.758136 0.241864 Cl\n0.758136 0.241864 0.758136 Cl\n0.758136 0.758136 0.241864 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"In",
"Cl"
],
"chemical_system": "Cl-In-Na",
"density": 2.3215210493701015,
"density_atomic": 0.035259367945416085,
"volume": 283.6125711465017,
"volume_molar": 17.079548247497478,
"formula_full": "Na3 In1 Cl6",
"formula_reduced": "Na3InCl6",
"formula_anonymous": "AB3C6",
"energy": -35.40907678,
"energy_per_atom": -3.540907678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.725076779999995,
"band_gap": 3.2887,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003425,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.401000Z",
"spacegroup": 225
},
{
"id": "mp-4008",
"created_at": "2022-09-04T14:44:13.442701Z",
"structure_string": "Zn2 Ge2 As4\n1.0\n-2.879311 2.879311 5.686257\n2.879311 -2.879311 5.686257\n2.879311 2.879311 -5.686257\nZn Ge As\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n0.624619 0.625000 0.499619 As\n0.375000 0.874619 0.999619 As\n0.875000 0.375381 0.000381 As\n0.125381 0.125000 0.500381 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Ge",
"As"
],
"chemical_system": "As-Ge-Zn",
"density": 5.070436673283274,
"density_atomic": 0.04242544031652155,
"volume": 188.56610421282053,
"volume_molar": 14.19464527668043,
"formula_full": "Zn2 Ge2 As4",
"formula_reduced": "ZnGeAs2",
"formula_anonymous": "ABC2",
"energy": -31.72294133,
"energy_per_atom": -3.96536766625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.72294133,
"band_gap": 0.0011999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001191,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.452000Z",
"spacegroup": 122
}
]
}