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=-formula_reduced&page=10369",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10367",
"results": [
{
"id": "mp-1654",
"created_at": "2022-09-04T14:47:24.397495Z",
"structure_string": "Ce2 Ni4\n1.0\n0.000000 3.587073 3.587073\n3.587073 0.000000 3.587073\n3.587073 3.587073 0.000000\nCe Ni\n2 4\ndirect\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Ce\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Ni"
],
"chemical_system": "Ce-Ni",
"density": 9.264253028620365,
"density_atomic": 0.06499809220779913,
"volume": 92.31040167791353,
"volume_molar": 9.265103875275592,
"formula_full": "Ce2 Ni4",
"formula_reduced": "CeNi2",
"formula_anonymous": "AB2",
"energy": -37.2508372,
"energy_per_atom": -6.208472866666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.2508372,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0723391,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.402000Z",
"spacegroup": 227
},
{
"id": "mp-21188",
"created_at": "2022-09-04T14:42:28.866174Z",
"structure_string": "Ce2 Ni2\n1.0\n1.800699 -5.359649 0.000000\n1.800699 5.359649 0.000000\n0.000000 0.000000 4.230044\nCe Ni\n2 2\ndirect\n0.137253 0.862747 0.750000 Ce\n0.862747 0.137253 0.250000 Ce\n0.419951 0.580049 0.750000 Ni\n0.580049 0.419951 0.250000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Ni"
],
"chemical_system": "Ce-Ni",
"density": 8.08655705194858,
"density_atomic": 0.0489900224510854,
"volume": 81.64927876883179,
"volume_molar": 12.292586242459615,
"formula_full": "Ce2 Ni2",
"formula_reduced": "CeNi",
"formula_anonymous": "AB",
"energy": -24.68391437,
"energy_per_atom": -6.1709785925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.68391437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8805291,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.636000Z",
"spacegroup": 63
},
{
"id": "mp-1182846",
"created_at": "2022-09-04T14:40:41.709995Z",
"structure_string": "Ce4 N8 F24\n1.0\n7.491746 0.000000 0.000000\n-0.039248 8.631424 0.000000\n-0.113919 -0.082827 15.638799\nCe N F\n4 8 24\ndirect\n0.250844 0.999464 0.999503 Ce\n0.751015 0.499139 0.498859 Ce\n0.750809 0.999518 0.998865 Ce\n0.251029 0.498875 0.499551 Ce\n0.044076 0.899501 0.694009 N\n0.542400 0.595677 0.805793 N\n0.959446 0.402378 0.805265 N\n0.458990 0.098183 0.693744 N\n0.942469 0.090380 0.307793 N\n0.457301 0.400237 0.194218 N\n0.044346 0.597025 0.193266 N\n0.545256 0.926549 0.318109 N\n0.250379 0.733927 0.500797 F\n0.746871 0.764534 0.997595 F\n0.754666 0.234448 0.997272 F\n0.251534 0.263858 0.500361 F\n0.750850 0.264215 0.497786 F\n0.254309 0.234483 0.000788 F\n0.247256 0.764473 0.000870 F\n0.750577 0.734056 0.497806 F\n0.154496 0.815792 0.743445 F\n0.651555 0.680475 0.756633 F\n0.849780 0.316188 0.755716 F\n0.348984 0.182253 0.742853 F\n0.855357 0.185318 0.254196 F\n0.348224 0.315244 0.243326 F\n0.153470 0.682832 0.243250 F\n0.626839 0.826916 0.265041 F\n0.000715 0.996230 0.914295 F\n0.503773 0.502053 0.584075 F\n0.001199 0.497351 0.584105 F\n0.497749 0.001332 0.914295 F\n0.000922 0.002370 0.083975 F\n0.498069 0.496233 0.414240 F\n0.000881 0.500370 0.414245 F\n0.503564 0.998124 0.084054 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ce",
"N",
"F"
],
"chemical_system": "Ce-F-N",
"density": 1.8529930577862448,
"density_atomic": 0.035598656454239985,
"volume": 1011.2741205914868,
"volume_molar": 16.916764169853188,
"formula_full": "Ce4 N8 F24",
"formula_reduced": "Ce(NF3)2",
"formula_anonymous": "AB2C6",
"energy": -201.59682285,
"energy_per_atom": -5.599911745833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.50882285,
"band_gap": 0.3827000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9194122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.856000Z",
"spacegroup": 1
},
{
"id": "mp-1183819",
"created_at": "2022-09-04T14:39:59.734002Z",
"structure_string": "Ce1 Nd1 Zn2\n1.0\n0.000000 3.843639 3.843639\n3.843639 0.000000 3.843639\n3.843639 3.843639 0.000000\nCe Nd Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"Zn"
],
"chemical_system": "Ce-Nd-Zn",
"density": 6.0704874850579476,
"density_atomic": 0.03522104373034163,
"volume": 113.56846862985346,
"volume_molar": 17.098132599665544,
"formula_full": "Ce1 Nd1 Zn2",
"formula_reduced": "CeNdZn2",
"formula_anonymous": "ABC2",
"energy": -13.92665789,
"energy_per_atom": -3.4816644725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.92665789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1925496,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.977000Z",
"spacegroup": 225
},
{
"id": "mp-1226607",
"created_at": "2022-09-04T14:43:53.770865Z",
"structure_string": "Ce2 Nd2 Si4\n1.0\n3.922494 0.000000 0.000000\n0.000000 5.862197 0.000000\n0.000000 0.000000 8.203403\nCe Nd Si\n2 2 4\ndirect\n0.000000 0.136179 0.680284 Ce\n0.000000 0.863821 0.180284 Ce\n0.500000 0.363046 0.320005 Nd\n0.500000 0.636954 0.820005 Nd\n0.000000 0.627714 0.534889 Si\n0.000000 0.372286 0.034889 Si\n0.500000 0.874271 0.464822 Si\n0.500000 0.125729 0.964822 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"Si"
],
"chemical_system": "Ce-Nd-Si",
"density": 5.995376373778111,
"density_atomic": 0.04241048538544121,
"volume": 188.63259704040695,
"volume_molar": 14.199650641271127,
"formula_full": "Ce2 Nd2 Si4",
"formula_reduced": "CeNdSi2",
"formula_anonymous": "ABC2",
"energy": -48.41548089,
"energy_per_atom": -6.05193511125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.69948089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7817545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.560000Z",
"spacegroup": 26
},
{
"id": "mp-37199",
"created_at": "2022-09-04T14:47:38.359103Z",
"structure_string": "Ce2 Nd4 S8\n1.0\n-4.283454 4.283454 4.289785\n4.283454 -4.283454 4.289785\n4.283454 4.283454 -4.289785\nCe Nd S\n2 4 8\ndirect\n0.250000 0.750000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.375000 0.004477 0.129477 Nd\n0.754477 0.625000 0.629477 Nd\n0.875000 0.245523 0.870523 Nd\n0.995523 0.125000 0.370523 Nd\n0.125770 0.525413 0.751060 S\n0.124710 0.024353 0.748940 S\n0.625290 0.874230 0.399643 S\n0.275413 0.375770 0.251060 S\n0.624230 0.875290 0.899643 S\n0.975647 0.724587 0.100357 S\n0.474587 0.225647 0.600357 S\n0.774353 0.374710 0.248940 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"S"
],
"chemical_system": "Ce-Nd-S",
"density": 5.8741006516632295,
"density_atomic": 0.04446766275628326,
"volume": 314.8355261379643,
"volume_molar": 13.542741818939145,
"formula_full": "Ce2 Nd4 S8",
"formula_reduced": "Ce(NdS2)2",
"formula_anonymous": "AB2C4",
"energy": -96.30076446,
"energy_per_atom": -6.8786260328571425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.27676446,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6672913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.124000Z",
"spacegroup": 122
},
{
"id": "mp-1226502",
"created_at": "2022-09-04T14:43:24.252396Z",
"structure_string": "Ce1 Nd1 S2\n1.0\n6.779855 -2.030312 0.000000\n6.779855 2.030312 0.000000\n6.171853 0.000000 3.463644\nCe Nd S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nd\n0.250868 0.250868 0.250868 S\n0.749132 0.749132 0.749132 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"S"
],
"chemical_system": "Ce-Nd-S",
"density": 6.068627692241313,
"density_atomic": 0.04194822225768544,
"volume": 95.35565000653037,
"volume_molar": 14.35612866501552,
"formula_full": "Ce1 Nd1 S2",
"formula_reduced": "CeNdS2",
"formula_anonymous": "ABC2",
"energy": -28.13593994,
"energy_per_atom": -7.033984985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.12993994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8683435,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.389000Z",
"spacegroup": 166
},
{
"id": "mp-1226534",
"created_at": "2022-09-04T14:41:28.062329Z",
"structure_string": "Ce1 Nd1 N2\n1.0\n5.981402 -1.804590 0.000000\n5.981402 1.804590 0.000000\n5.436957 0.000000 3.077858\nCe Nd N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Nd\n0.244132 0.244132 0.244132 N\n0.755868 0.755868 0.755868 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"N"
],
"chemical_system": "Ce-N-Nd",
"density": 7.806569823013559,
"density_atomic": 0.060200469496506245,
"volume": 66.44466452594928,
"volume_molar": 10.00347806315613,
"formula_full": "Ce1 Nd1 N2",
"formula_reduced": "CeNdN2",
"formula_anonymous": "ABC2",
"energy": -33.899701570000005,
"energy_per_atom": -8.474925392500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.17770157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1256701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.737000Z",
"spacegroup": 166
},
{
"id": "mp-570728",
"created_at": "2022-09-04T14:39:12.722923Z",
"structure_string": "Ce2 Nd2 I8\n1.0\n7.304589 5.095072 0.000000\n-7.304589 5.095072 0.000000\n0.000000 4.736776 6.046102\nCe Nd I\n2 2 8\ndirect\n0.494597 0.505403 0.250000 Ce\n0.505403 0.494597 0.750000 Ce\n0.130679 0.869321 0.250000 Nd\n0.869321 0.130679 0.750000 Nd\n0.874414 0.754211 0.755303 I\n0.245789 0.125586 0.744697 I\n0.125586 0.245789 0.244697 I\n0.555394 0.193849 0.089761 I\n0.444606 0.806151 0.910239 I\n0.754211 0.874414 0.255303 I\n0.806151 0.444606 0.410239 I\n0.193849 0.555394 0.589761 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"I"
],
"chemical_system": "Ce-I-Nd",
"density": 5.844393815585104,
"density_atomic": 0.026664268280359657,
"volume": 450.04047640935823,
"volume_molar": 22.58505913862179,
"formula_full": "Ce2 Nd2 I8",
"formula_reduced": "CeNdI4",
"formula_anonymous": "ABC4",
"energy": -50.88142225,
"energy_per_atom": -4.240118520833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.84942225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2264222,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.711000Z",
"spacegroup": 15
},
{
"id": "mp-1183768",
"created_at": "2022-09-04T14:40:08.855437Z",
"structure_string": "Ce1 Nd1 Hg2\n1.0\n0.000000 3.795879 3.795879\n3.795879 0.000000 3.795879\n3.795879 3.795879 0.000000\nCe Nd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"Hg"
],
"chemical_system": "Ce-Hg-Nd",
"density": 10.406712448829701,
"density_atomic": 0.036567301732277076,
"volume": 109.38734362424385,
"volume_molar": 16.468649516692125,
"formula_full": "Ce1 Nd1 Hg2",
"formula_reduced": "CeNdHg2",
"formula_anonymous": "ABC2",
"energy": -12.78721111,
"energy_per_atom": -3.1968027775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.78721111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9509656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.343000Z",
"spacegroup": 225
},
{
"id": "mp-1226536",
"created_at": "2022-09-04T14:39:46.724026Z",
"structure_string": "Ce1 Nd1 C4\n1.0\n3.809741 0.000000 0.000000\n0.000000 3.809741 0.000000\n0.000000 0.000000 6.400876\nCe Nd C\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.601738 C\n0.500000 0.500000 0.101775 C\n0.500000 0.500000 0.898225 C\n0.000000 0.000000 0.398262 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"C"
],
"chemical_system": "C-Ce-Nd",
"density": 5.941291218689624,
"density_atomic": 0.06458340418097445,
"volume": 92.90312389212107,
"volume_molar": 9.324594818701202,
"formula_full": "Ce1 Nd1 C4",
"formula_reduced": "CeNdC4",
"formula_anonymous": "ABC4",
"energy": -48.39564229999999,
"energy_per_atom": -8.065940383333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.39564229999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4761247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.085000Z",
"spacegroup": 123
},
{
"id": "mp-1226518",
"created_at": "2022-09-04T14:39:19.325280Z",
"structure_string": "Ce1 Nd1 Al4\n1.0\n0.000000 3.984888 3.984888\n3.984888 0.000000 3.984888\n3.984888 3.984888 0.000000\nCe Nd Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Nd\n0.624369 0.624369 0.126894 Al\n0.624369 0.126894 0.624369 Al\n0.126894 0.624369 0.624369 Al\n0.624369 0.624369 0.624369 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"Al"
],
"chemical_system": "Al-Ce-Nd",
"density": 5.1472055178630525,
"density_atomic": 0.04741032103222566,
"volume": 126.55472203872425,
"volume_molar": 12.702172499331194,
"formula_full": "Ce1 Nd1 Al4",
"formula_reduced": "CeNdAl4",
"formula_anonymous": "ABC4",
"energy": -28.45684723,
"energy_per_atom": -4.742807871666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.45684723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5503692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.516000Z",
"spacegroup": 216
}
]
}