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=nsites&page=20",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=18",
"results": [
{
"id": "mp-1219657",
"created_at": "2022-09-04T14:40:20.389689Z",
"structure_string": "Pu1 Th1\n1.0\n5.698498 -1.744254 0.000000\n5.698498 1.744254 0.000000\n5.164599 0.000000 2.973587\nPu Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Th"
],
"chemical_system": "Pu-Th",
"density": 13.372419778463101,
"density_atomic": 0.03383367885985523,
"volume": 59.11269679789583,
"volume_molar": 17.799249041006497,
"formula_full": "Pu1 Th1",
"formula_reduced": "PuTh",
"formula_anonymous": "AB",
"energy": -19.70119417,
"energy_per_atom": -9.850597085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.70119417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2330643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.338000Z",
"spacegroup": 166
},
{
"id": "mp-1001913",
"created_at": "2022-09-04T14:40:42.034805Z",
"structure_string": "Ho1 Bi1\n1.0\n3.883022 0.000000 0.000000\n0.000000 3.883022 0.000000\n0.000000 0.000000 3.883022\nHo Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Bi"
],
"chemical_system": "Bi-Ho",
"density": 10.604921560654413,
"density_atomic": 0.034160202953844115,
"volume": 58.54766152011213,
"volume_molar": 17.62911294214754,
"formula_full": "Ho1 Bi1",
"formula_reduced": "HoBi",
"formula_anonymous": "AB",
"energy": -9.58698856,
"energy_per_atom": -4.79349428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.58698856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.475000Z",
"spacegroup": 221
},
{
"id": "mp-2011",
"created_at": "2022-09-04T14:40:20.379801Z",
"structure_string": "U1 P1\n1.0\n0.000000 2.782067 2.782067\n2.782067 0.000000 2.782067\n2.782067 2.782067 0.000000\nU P\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"P"
],
"chemical_system": "P-U",
"density": 10.372249171167066,
"density_atomic": 0.04644053835134198,
"volume": 43.065822899579,
"volume_molar": 12.967422372324805,
"formula_full": "U1 P1",
"formula_reduced": "UP",
"formula_anonymous": "AB",
"energy": -18.64066474,
"energy_per_atom": -9.32033237,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.64066474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0886001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.856000Z",
"spacegroup": 225
},
{
"id": "mp-1226170",
"created_at": "2022-09-04T14:40:21.448278Z",
"structure_string": "Cr1 Rh1\n1.0\n1.336479 -2.314849 0.000000\n1.336479 2.314849 0.000000\n0.000000 0.000000 4.219386\nCr Rh\n1 1\ndirect\n0.666667 0.333333 0.500000 Cr\n0.333333 0.666667 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Rh"
],
"chemical_system": "Cr-Rh",
"density": 9.85237519211128,
"density_atomic": 0.07660655570727504,
"volume": 26.10742620569309,
"volume_molar": 7.861129774599827,
"formula_full": "Cr1 Rh1",
"formula_reduced": "CrRh",
"formula_anonymous": "AB",
"energy": -17.00969968,
"energy_per_atom": -8.50484984,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.00969968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.949000Z",
"spacegroup": 187
},
{
"id": "mp-1221647",
"created_at": "2022-09-04T14:39:07.137195Z",
"structure_string": "Mn1 Cr1\n1.0\n1.414325 -2.017123 0.000000\n1.414325 2.017123 0.000000\n0.000000 0.000000 3.984864\nMn Cr\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Cr"
],
"chemical_system": "Cr-Mn",
"density": 7.80980876609525,
"density_atomic": 0.08796398515060026,
"volume": 22.736577891234298,
"volume_molar": 6.846143623085846,
"formula_full": "Mn1 Cr1",
"formula_reduced": "MnCr",
"formula_anonymous": "AB",
"energy": -18.68134768,
"energy_per_atom": -9.34067384,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.68134768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8870883,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.586000Z",
"spacegroup": 65
},
{
"id": "mp-179",
"created_at": "2022-09-04T14:40:19.783027Z",
"structure_string": "Y1 Zn1\n1.0\n0.000000 2.962987 2.962987\n2.962987 0.000000 2.962987\n2.962987 2.962987 0.000000\nY Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 4.925355527901485,
"density_atomic": 0.03844242377492136,
"volume": 52.02585590622248,
"volume_molar": 15.665351371337458,
"formula_full": "Y1 Zn1",
"formula_reduced": "YZn",
"formula_anonymous": "AB",
"energy": -7.9025236,
"energy_per_atom": -3.9512618,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.9025236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013105,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.813000Z",
"spacegroup": 225
},
{
"id": "mp-977206",
"created_at": "2022-09-04T14:40:20.039102Z",
"structure_string": "Na1 Tm1\n1.0\n1.716361 -2.972824 0.000000\n1.716361 2.972824 0.000000\n0.000000 0.000000 6.219598\nNa Tm\n1 1\ndirect\n0.333333 0.666667 0.500000 Na\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Tm"
],
"chemical_system": "Na-Tm",
"density": 5.021207744093829,
"density_atomic": 0.03151083042778066,
"volume": 63.4702409567967,
"volume_molar": 19.11133625564734,
"formula_full": "Na1 Tm1",
"formula_reduced": "NaTm",
"formula_anonymous": "AB",
"energy": -5.20034829,
"energy_per_atom": -2.600174145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.20034829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.515000Z",
"spacegroup": 187
},
{
"id": "mp-11221",
"created_at": "2022-09-04T14:40:15.352252Z",
"structure_string": "Sm1 Al1\n1.0\n3.676946 0.000000 0.000000\n0.000000 3.676946 0.000000\n0.000000 0.000000 3.676946\nSm Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"Al"
],
"chemical_system": "Al-Sm",
"density": 5.92376489939826,
"density_atomic": 0.04023168666210235,
"volume": 49.71205947186824,
"volume_molar": 14.968650980454088,
"formula_full": "Sm1 Al1",
"formula_reduced": "SmAl",
"formula_anonymous": "AB",
"energy": -9.20380655,
"energy_per_atom": -4.601903275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.20380655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.807000Z",
"spacegroup": 221
},
{
"id": "mp-1225902",
"created_at": "2022-09-04T14:39:07.187544Z",
"structure_string": "Cs1 K1\n1.0\n2.941658 -4.090562 0.000000\n2.941658 4.090562 0.000000\n0.000000 0.000000 7.712267\nCs K\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 K\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"K"
],
"chemical_system": "Cs-K",
"density": 1.5388624628247156,
"density_atomic": 0.010775632812941293,
"volume": 185.6039487164081,
"volume_molar": 55.88665523910154,
"formula_full": "Cs1 K1",
"formula_reduced": "CsK",
"formula_anonymous": "AB",
"energy": -1.92327077,
"energy_per_atom": -0.961635385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.92327077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.134000Z",
"spacegroup": 65
},
{
"id": "mp-985290",
"created_at": "2022-09-04T14:40:15.992488Z",
"structure_string": "Ba1 Ce1\n1.0\n1.958947 -3.392996 0.000000\n1.958947 3.392996 0.000000\n0.000000 0.000000 6.619631\nBa Ce\n1 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Ce\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Ce"
],
"chemical_system": "Ba-Ce",
"density": 5.235438456276695,
"density_atomic": 0.02272794580141576,
"volume": 87.9973939340975,
"volume_molar": 26.496634639215266,
"formula_full": "Ba1 Ce1",
"formula_reduced": "BaCe",
"formula_anonymous": "AB",
"energy": -7.01530067,
"energy_per_atom": -3.507650335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.01530067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8028064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.795000Z",
"spacegroup": 187
},
{
"id": "mp-1215193",
"created_at": "2022-09-04T14:40:20.045974Z",
"structure_string": "Zr1 U1\n1.0\n1.518245 -2.615916 0.000000\n1.518245 2.615916 0.000000\n0.000000 0.000000 5.491659\nZr U\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 U\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"U"
],
"chemical_system": "U-Zr",
"density": 12.533706129791556,
"density_atomic": 0.0458490967227374,
"volume": 43.62136100727506,
"volume_molar": 13.134698806429292,
"formula_full": "Zr1 U1",
"formula_reduced": "ZrU",
"formula_anonymous": "AB",
"energy": -19.38392853,
"energy_per_atom": -9.691964265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.38392853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0249418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.957000Z",
"spacegroup": 65
},
{
"id": "mp-66",
"created_at": "2022-09-04T14:40:21.558049Z",
"structure_string": "C2\n1.0\n0.000000 1.786855 1.786855\n1.786855 0.000000 1.786855\n1.786855 1.786855 0.000000\nC\n2\ndirect\n0.250000 0.250000 0.250000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4958233725910053,
"density_atomic": 0.175279879017178,
"volume": 11.410322800393955,
"volume_molar": 3.4357285010504888,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.18073633,
"energy_per_atom": -9.090368165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.18073633,
"band_gap": 4.1145,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005442,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.938000Z",
"spacegroup": 227
}
]
}