HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12193",
"results": [
{
"id": "mp-1423",
"created_at": "2022-09-04T14:40:58.063085Z",
"structure_string": "Ho1 C2\n1.0\n-1.823660 1.823660 3.088961\n1.823660 -1.823660 3.088961\n1.823660 1.823660 -3.088961\nHo C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.605568 0.605568 0.000000 C\n0.394432 0.394432 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ho",
"C"
],
"chemical_system": "C-Ho",
"density": 7.635540512394045,
"density_atomic": 0.07300642686958864,
"volume": 41.09227267564949,
"volume_molar": 8.24878167336877,
"formula_full": "Ho1 C2",
"formula_reduced": "HoC2",
"formula_anonymous": "AB2",
"energy": -23.62092532,
"energy_per_atom": -7.8736417733333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.62092532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00037,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.899000Z",
"spacegroup": 139
},
{
"id": "mp-1187995",
"created_at": "2022-09-04T14:40:54.298756Z",
"structure_string": "Yb6 Sm2\n1.0\n3.788323 -6.561568 0.000000\n3.788323 6.561568 0.000000\n0.000000 0.000000 6.119458\nYb Sm\n6 2\ndirect\n0.170187 0.340373 0.250000 Yb\n0.659627 0.829813 0.250000 Yb\n0.170187 0.829813 0.250000 Yb\n0.829813 0.659627 0.750000 Yb\n0.340373 0.170187 0.750000 Yb\n0.829813 0.170187 0.750000 Yb\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Sm"
],
"chemical_system": "Sm-Yb",
"density": 7.308346198699378,
"density_atomic": 0.026296163916226415,
"volume": 304.2268836430354,
"volume_molar": 22.90121395343126,
"formula_full": "Yb6 Sm2",
"formula_reduced": "Yb3Sm",
"formula_anonymous": "AB3",
"energy": -17.89132898,
"energy_per_atom": -2.2364161225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.89132898,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4263308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.517000Z",
"spacegroup": 194
},
{
"id": "mp-1542",
"created_at": "2022-09-04T14:40:58.092524Z",
"structure_string": "Y1 B2\n1.0\n1.650693 -2.859085 0.000000\n1.650693 2.859085 0.000000\n0.000000 0.000000 3.853990\nY B\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Y",
"B"
],
"chemical_system": "B-Y",
"density": 5.045298476129316,
"density_atomic": 0.08246834877353752,
"volume": 36.37759267180382,
"volume_molar": 7.302366119318236,
"formula_full": "Y1 B2",
"formula_reduced": "YB2",
"formula_anonymous": "AB2",
"energy": -21.51614443,
"energy_per_atom": -7.172048143333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.51614443,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.374000Z",
"spacegroup": 191
},
{
"id": "mp-18904",
"created_at": "2022-09-04T14:40:58.093297Z",
"structure_string": "Ba2 Nd1 Mo1 O6\n1.0\n0.000000 4.330644 4.330644\n4.330644 0.000000 4.330644\n4.330644 4.330644 0.000000\nBa Nd Mo O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Mo\n0.231040 0.768960 0.231040 O\n0.768960 0.768960 0.231040 O\n0.231040 0.231040 0.768960 O\n0.231040 0.768960 0.768960 O\n0.768960 0.231040 0.768960 O\n0.768960 0.231040 0.231040 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-Nd-O",
"density": 6.244299346014404,
"density_atomic": 0.06156197612024156,
"volume": 162.4379305249755,
"volume_molar": 9.782240823845031,
"formula_full": "Ba2 Nd1 Mo1 O6",
"formula_reduced": "Ba2NdMoO6",
"formula_anonymous": "ABC2D6",
"energy": -78.55273969,
"energy_per_atom": -7.855273969,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.22873969,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.526000Z",
"spacegroup": 225
},
{
"id": "mp-1113694",
"created_at": "2022-09-04T14:40:58.099982Z",
"structure_string": "Rb2 Li1 V1 F6\n1.0\n5.900098 0.000000 0.000000\n2.950049 5.109634 0.000000\n2.950049 1.703211 4.817409\nRb Li V F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.236940 0.763060 0.236940 F\n0.763060 0.763060 0.236940 F\n0.763060 0.236940 0.763060 F\n0.763060 0.236940 0.236940 F\n0.236940 0.763060 0.763060 F\n0.236940 0.236940 0.763060 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"V",
"F"
],
"chemical_system": "F-Li-Rb-V",
"density": 3.919567659599054,
"density_atomic": 0.06885531382852043,
"volume": 145.23207351729357,
"volume_molar": 8.746079895878102,
"formula_full": "Rb2 Li1 V1 F6",
"formula_reduced": "Rb2LiVF6",
"formula_anonymous": "ABC2D6",
"energy": -55.38042664000001,
"energy_per_atom": -5.538042664000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.90842664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.746000Z",
"spacegroup": 225
},
{
"id": "mp-1022106",
"created_at": "2022-09-04T14:40:58.177561Z",
"structure_string": "Sr2 Mg12 Ni2\n1.0\n4.966138 0.000000 0.000000\n0.000000 6.035112 0.000000\n0.000000 0.000000 13.179617\nSr Mg Ni\n2 12 2\ndirect\n0.500000 0.500000 0.197501 Sr\n0.500000 0.000000 0.697501 Sr\n0.500000 0.246916 0.442168 Mg\n0.500000 0.753084 0.442168 Mg\n0.000000 0.763436 0.077844 Mg\n0.000000 0.236564 0.077844 Mg\n0.000000 0.000000 0.294101 Mg\n0.000000 0.500000 0.365777 Mg\n0.500000 0.746916 0.942168 Mg\n0.500000 0.253084 0.942168 Mg\n0.000000 0.263436 0.577844 Mg\n0.000000 0.736564 0.577844 Mg\n0.000000 0.500000 0.794101 Mg\n0.000000 0.000000 0.865777 Mg\n0.500000 0.000000 0.102594 Ni\n0.500000 0.500000 0.602594 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Sr",
"density": 2.456225664037609,
"density_atomic": 0.04050541396388393,
"volume": 395.00892434443875,
"volume_molar": 14.867495899115006,
"formula_full": "Sr2 Mg12 Ni2",
"formula_reduced": "SrMg6Ni",
"formula_anonymous": "ABC6",
"energy": -32.89643208,
"energy_per_atom": -2.056027005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.89643208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.388000Z",
"spacegroup": 38
},
{
"id": "mp-761281",
"created_at": "2022-09-04T14:40:43.062317Z",
"structure_string": "Fe2 Sb2 O8\n1.0\n-0.000206 4.695392 -3.123294\n-4.695401 0.000212 -3.123286\n-4.695400 0.000200 3.123285\nFe Sb O\n2 2 8\ndirect\n0.000000 0.509800 0.490200 Fe\n0.499999 0.759786 0.740214 Fe\n0.500000 0.242586 0.257414 Sb\n0.000000 0.992591 0.007410 Sb\n0.803441 0.753800 0.049641 O\n0.303440 0.200352 0.496208 O\n0.696560 0.807231 0.496209 O\n0.196560 0.753800 0.442760 O\n0.808376 0.244984 0.563392 O\n0.308380 0.686663 0.004956 O\n0.691620 0.303424 0.004957 O\n0.191624 0.244984 0.946640 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-O-Sb",
"density": 5.826329935584257,
"density_atomic": 0.08713559953017583,
"volume": 137.7163876154234,
"volume_molar": 6.911228926490004,
"formula_full": "Fe2 Sb2 O8",
"formula_reduced": "FeSbO4",
"formula_anonymous": "ABC4",
"energy": -86.79319597,
"energy_per_atom": -7.232766330833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.78519597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.628000Z",
"spacegroup": 109
}
]
}