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=spacegroup&page=11555",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=11553",
"results": [
{
"id": "mp-1079925",
"created_at": "2022-09-04T14:42:28.661267Z",
"structure_string": "Sr2 Y1 Cr1 O6\n1.0\n0.000000 4.101033 4.101033\n4.101033 0.000000 4.101033\n4.101033 4.101033 0.000000\nSr Y Cr O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cr\n0.769259 0.769259 0.230741 O\n0.230741 0.769259 0.230741 O\n0.769259 0.230741 0.230741 O\n0.230741 0.230741 0.769259 O\n0.769259 0.230741 0.769259 O\n0.230741 0.769259 0.769259 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sr-Y",
"density": 4.96114977016093,
"density_atomic": 0.07249202181179094,
"volume": 137.946214632594,
"volume_molar": 8.307315218266528,
"formula_full": "Sr2 Y1 Cr1 O6",
"formula_reduced": "Sr2YCrO6",
"formula_anonymous": "ABC2D6",
"energy": -77.82047706,
"energy_per_atom": -7.782047706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.69947706,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9978197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.971000Z",
"spacegroup": 225
},
{
"id": "mp-1187509",
"created_at": "2022-09-04T14:42:28.662762Z",
"structure_string": "Yb1 Y1 Pt2\n1.0\n0.000000 3.467331 3.467331\n3.467331 0.000000 3.467331\n3.467331 3.467331 0.000000\nYb Y Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Y",
"Pt"
],
"chemical_system": "Pt-Y-Yb",
"density": 12.988428816413503,
"density_atomic": 0.047978215221598404,
"volume": 83.37117130191446,
"volume_molar": 12.551823222655033,
"formula_full": "Yb1 Y1 Pt2",
"formula_reduced": "YbYPt2",
"formula_anonymous": "ABC2",
"energy": -24.82837558,
"energy_per_atom": -6.207093895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.82837558,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.865000Z",
"spacegroup": 225
},
{
"id": "mp-980053",
"created_at": "2022-09-04T14:42:28.696603Z",
"structure_string": "Yb1 Pr1 Au2\n1.0\n0.000000 3.669625 3.669625\n3.669625 0.000000 3.669625\n3.669625 3.669625 0.000000\nYb Pr Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pr",
"Au"
],
"chemical_system": "Au-Pr-Yb",
"density": 11.893623045638899,
"density_atomic": 0.040472957235827375,
"volume": 98.83142407145702,
"volume_molar": 14.879418681739164,
"formula_full": "Yb1 Pr1 Au2",
"formula_reduced": "YbPrAu2",
"formula_anonymous": "ABC2",
"energy": -16.38354938,
"energy_per_atom": -4.095887345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.38354938,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0069202,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.996000Z",
"spacegroup": 225
},
{
"id": "mp-12637",
"created_at": "2022-09-04T14:42:28.707362Z",
"structure_string": "Ba2 Nd1 Nb1 O6\n1.0\n0.000000 4.359542 4.359542\n4.359542 0.000000 4.359542\n4.359542 4.359542 0.000000\nBa Nd Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Nb\n0.767766 0.767766 0.232234 O\n0.767766 0.232234 0.767766 O\n0.232234 0.767766 0.232234 O\n0.767766 0.232234 0.232234 O\n0.232234 0.232234 0.767766 O\n0.232234 0.767766 0.767766 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-Nd-O",
"density": 6.090547403620582,
"density_atomic": 0.06034584962926522,
"volume": 165.71147910643413,
"volume_molar": 9.979378527267453,
"formula_full": "Ba2 Nd1 Nb1 O6",
"formula_reduced": "Ba2NdNbO6",
"formula_anonymous": "ABC2D6",
"energy": -81.98297198,
"energy_per_atom": -8.198297198,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.86097198,
"band_gap": 2.85,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.57e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.098000Z",
"spacegroup": 225
},
{
"id": "mp-1520529",
"created_at": "2022-09-04T14:42:28.772935Z",
"structure_string": "Ba2 Y1 W1 O6\n1.0\n-0.000000 -4.255865 -4.255865\n4.255865 -0.000000 -4.255865\n4.255865 -4.255865 0.000000\nBa Y W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n-0.000000 0.000000 0.000000 W\n0.763957 0.236043 0.236043 O\n0.236043 0.763957 0.763957 O\n0.763957 0.236043 0.763957 O\n0.236043 0.763957 0.236043 O\n0.763957 0.763957 0.236043 O\n0.236043 0.236043 0.763957 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"W",
"O"
],
"chemical_system": "Ba-O-W-Y",
"density": 6.930013765406238,
"density_atomic": 0.06486441035122009,
"volume": 154.1677469332287,
"volume_molar": 9.284198726839614,
"formula_full": "Ba2 Y1 W1 O6",
"formula_reduced": "Ba2YWO6",
"formula_anonymous": "ABC2D6",
"energy": -83.75897811,
"energy_per_atom": -8.375897811,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.19897811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.214000Z",
"spacegroup": 225
},
{
"id": "mp-1184754",
"created_at": "2022-09-04T14:42:28.882878Z",
"structure_string": "K2 Rb1 Bi1\n1.0\n0.000000 4.407346 4.407346\n4.407346 0.000000 4.407346\n4.407346 4.407346 0.000000\nK Rb Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"Bi"
],
"chemical_system": "Bi-K-Rb",
"density": 3.6139548984457055,
"density_atomic": 0.023361383393786926,
"volume": 171.2227367949374,
"volume_molar": 25.778185557288605,
"formula_full": "K2 Rb1 Bi1",
"formula_reduced": "K2RbBi",
"formula_anonymous": "ABC2",
"energy": -8.46029509,
"energy_per_atom": -2.1150737725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.46029509,
"band_gap": 0.1399000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.709000Z",
"spacegroup": 225
},
{
"id": "mp-1207114",
"created_at": "2022-09-04T14:42:28.922616Z",
"structure_string": "K2 Ta1 Nb1 O6\n1.0\n0.000000 4.044428 4.044428\n4.044428 0.000000 4.044428\n4.044428 4.044428 0.000000\nK Ta Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Nb\n0.749028 0.250972 0.250972 O\n0.250972 0.749028 0.749028 O\n0.250972 0.749028 0.250972 O\n0.749028 0.250972 0.749028 O\n0.250972 0.250972 0.749028 O\n0.749028 0.749028 0.250972 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ta",
"Nb",
"O"
],
"chemical_system": "K-Nb-O-Ta",
"density": 5.623045560699668,
"density_atomic": 0.07557857150633793,
"volume": 132.31263572058137,
"volume_molar": 7.96805316635945,
"formula_full": "K2 Ta1 Nb1 O6",
"formula_reduced": "K2TaNbO6",
"formula_anonymous": "ABC2D6",
"energy": -83.46772075000001,
"energy_per_atom": -8.346772075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.34572075,
"band_gap": 1.7028,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.992000Z",
"spacegroup": 225
},
{
"id": "mp-863713",
"created_at": "2022-09-04T14:42:29.335776Z",
"structure_string": "Pm2 Ni1 Ir1\n1.0\n0.000000 3.496251 3.496251\n3.496251 0.000000 3.496251\n3.496251 3.496251 0.000000\nPm Ni Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni-Pm",
"density": 10.508400650639345,
"density_atomic": 0.046797449560958715,
"volume": 85.4747435496366,
"volume_molar": 12.86852342702034,
"formula_full": "Pm2 Ni1 Ir1",
"formula_reduced": "Pm2NiIr",
"formula_anonymous": "ABC2",
"energy": -26.07367424,
"energy_per_atom": -6.51841856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.07367424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.293000Z",
"spacegroup": 225
},
{
"id": "mp-1185377",
"created_at": "2022-09-04T14:42:28.884588Z",
"structure_string": "Li1 Mg2 Ni1\n1.0\n0.000000 3.168071 3.168071\n3.168071 0.000000 3.168071\n3.168071 3.168071 0.000000\nLi Mg Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ni"
],
"chemical_system": "Li-Mg-Ni",
"density": 2.9831102530594396,
"density_atomic": 0.06289922255351293,
"volume": 63.59379079124403,
"volume_molar": 9.574268990171582,
"formula_full": "Li1 Mg2 Ni1",
"formula_reduced": "LiMg2Ni",
"formula_anonymous": "ABC2",
"energy": -11.36916928,
"energy_per_atom": -2.84229232,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.36916928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.800000Z",
"spacegroup": 225
},
{
"id": "mp-1110634",
"created_at": "2022-09-04T14:42:40.223592Z",
"structure_string": "Na2 Li1 Ru1 F6\n1.0\n0.000000 3.986270 3.986270\n3.986270 0.000000 3.986270\n3.986270 3.986270 0.000000\nNa Li Ru F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ru\n0.251799 0.251799 0.748201 F\n0.251799 0.748201 0.748201 F\n0.748201 0.748201 0.251799 F\n0.251799 0.748201 0.251799 F\n0.748201 0.251799 0.748201 F\n0.748201 0.251799 0.251799 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ru",
"F"
],
"chemical_system": "F-Li-Na-Ru",
"density": 3.512553139156979,
"density_atomic": 0.0789350467850692,
"volume": 126.68643913303578,
"volume_molar": 7.6292356884231385,
"formula_full": "Na2 Li1 Ru1 F6",
"formula_reduced": "Na2LiRuF6",
"formula_anonymous": "ABC2D6",
"energy": -50.74542107,
"energy_per_atom": -5.074542107,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.97342107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.675000Z",
"spacegroup": 225
},
{
"id": "mp-866155",
"created_at": "2022-09-04T14:42:37.704708Z",
"structure_string": "Ti1 Al1 Ru2\n1.0\n0.000000 3.049260 3.049260\n3.049260 0.000000 3.049260\n3.049260 3.049260 0.000000\nTi Al Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Ti",
"density": 8.111431976298766,
"density_atomic": 0.07054181431508089,
"volume": 56.70395692026954,
"volume_molar": 8.536980255570983,
"formula_full": "Ti1 Al1 Ru2",
"formula_reduced": "TiAlRu2",
"formula_anonymous": "ABC2",
"energy": -33.25177736,
"energy_per_atom": -8.31294434,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.25177736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.210000Z",
"spacegroup": 225
},
{
"id": "mp-1112335",
"created_at": "2022-09-04T14:42:40.488901Z",
"structure_string": "K2 Ce1 Ag1 F6\n1.0\n6.677667 -0.000000 -0.000000\n3.338834 5.783029 -0.000000\n3.338834 1.927676 5.452292\nK Ce Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.259264 0.740736 0.259264 F\n0.740736 0.740736 0.259264 F\n0.740736 0.259264 0.740736 F\n0.740736 0.259264 0.259264 F\n0.259264 0.740736 0.740736 F\n0.259264 0.259264 0.740736 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ce",
"Ag",
"F"
],
"chemical_system": "Ag-Ce-F-K",
"density": 3.47145472319782,
"density_atomic": 0.04749422061325139,
"volume": 210.55193391698472,
"volume_molar": 12.679733833383002,
"formula_full": "K2 Ce1 Ag1 F6",
"formula_reduced": "K2CeAgF6",
"formula_anonymous": "ABC2D6",
"energy": -53.25029197,
"energy_per_atom": -5.325029197,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.47829197,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9390128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.827000Z",
"spacegroup": 225
}
]
}