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=10153",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10151",
"results": [
{
"id": "mp-1111674",
"created_at": "2022-09-04T14:45:29.995103Z",
"structure_string": "K2 Li1 Ce1 I6\n1.0\n0.000000 6.068321 6.068321\n6.068321 0.000000 6.068321\n6.068321 6.068321 0.000000\nK Li Ce I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.743453 0.256547 0.256547 I\n0.256547 0.256547 0.743453 I\n0.256547 0.743453 0.743453 I\n0.256547 0.743453 0.256547 I\n0.743453 0.256547 0.743453 I\n0.743453 0.743453 0.256547 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Ce",
"I"
],
"chemical_system": "Ce-I-K-Li",
"density": 3.6659790110618706,
"density_atomic": 0.022375068145620583,
"volume": 446.9260131374069,
"volume_molar": 26.91451360419074,
"formula_full": "K2 Li1 Ce1 I6",
"formula_reduced": "K2LiCeI6",
"formula_anonymous": "ABC2D6",
"energy": -34.91325923,
"energy_per_atom": -3.491325923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.63925923,
"band_gap": 0.2547999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0233252,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.173000Z",
"spacegroup": 225
},
{
"id": "mp-1114009",
"created_at": "2022-09-04T14:41:56.137376Z",
"structure_string": "Rb2 Tl1 As1 Cl6\n1.0\n0.000000 5.530453 5.530453\n5.530453 0.000000 5.530453\n5.530453 5.530453 0.000000\nRb Tl As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.772828 0.227172 0.227172 Cl\n0.227172 0.227172 0.772828 Cl\n0.227172 0.772828 0.772828 Cl\n0.227172 0.772828 0.227172 Cl\n0.772828 0.227172 0.772828 Cl\n0.772828 0.772828 0.227172 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"Cl"
],
"chemical_system": "As-Cl-Rb-Tl",
"density": 3.254043298596242,
"density_atomic": 0.029558874032165432,
"volume": 338.3078796952205,
"volume_molar": 20.37337671741764,
"formula_full": "Rb2 Tl1 As1 Cl6",
"formula_reduced": "Rb2TlAsCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.3229545,
"energy_per_atom": -3.63229545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.6389545,
"band_gap": 1.9544,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.462000Z",
"spacegroup": 225
},
{
"id": "mp-1221198",
"created_at": "2022-09-04T14:46:26.903006Z",
"structure_string": "Na4 Ag1 Cl5\n1.0\n-2.010587 2.833915 10.022855\n2.010587 -2.833915 10.022855\n2.010587 2.833915 -10.022855\nNa Ag Cl\n4 1 5\ndirect\n0.599741 0.599741 0.000000 Na\n0.200070 0.200070 0.000000 Na\n0.799930 0.799930 0.000000 Na\n0.400259 0.400259 0.000000 Na\n0.000000 0.000000 0.000000 Ag\n0.299978 0.799978 0.500000 Cl\n0.899354 0.399354 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.100646 0.600646 0.500000 Cl\n0.700022 0.200022 0.500000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Na",
"density": 2.7411677055329635,
"density_atomic": 0.04377628176653771,
"volume": 228.434202185804,
"volume_molar": 13.756629199612112,
"formula_full": "Na4 Ag1 Cl5",
"formula_reduced": "Na4AgCl5",
"formula_anonymous": "AB4C5",
"energy": -35.70840252,
"energy_per_atom": -3.570840252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.63840252,
"band_gap": 2.7265,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.490000Z",
"spacegroup": 71
},
{
"id": "mp-1185",
"created_at": "2022-09-04T14:46:09.401699Z",
"structure_string": "V1 Rh3\n1.0\n3.816839 0.000000 0.000000\n0.000000 3.816839 0.000000\n0.000000 0.000000 3.816839\nV Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Rh"
],
"chemical_system": "Rh-V",
"density": 10.740569234522459,
"density_atomic": 0.07193636153809692,
"volume": 55.60470274663019,
"volume_molar": 8.37148367145414,
"formula_full": "V1 Rh3",
"formula_reduced": "VRh3",
"formula_anonymous": "AB3",
"energy": -32.63680296,
"energy_per_atom": -8.15920074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.63680296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019191,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.919000Z",
"spacegroup": 221
},
{
"id": "mp-1068786",
"created_at": "2022-09-04T14:46:36.680597Z",
"structure_string": "In1 Co3 N1\n1.0\n3.852677 0.000000 0.000000\n0.000000 3.852677 0.000000\n0.000000 0.000000 3.852677\nIn Co N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"In",
"Co",
"N"
],
"chemical_system": "Co-In-N",
"density": 8.874607555449444,
"density_atomic": 0.08743437372318959,
"volume": 57.18574728778421,
"volume_molar": 6.887612392656496,
"formula_full": "In1 Co3 N1",
"formula_reduced": "InCo3N",
"formula_anonymous": "ABC3",
"energy": -32.99774041,
"energy_per_atom": -6.599548082,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.63674041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9387266,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.607000Z",
"spacegroup": 221
},
{
"id": "mp-1232423",
"created_at": "2022-09-04T14:39:15.360811Z",
"structure_string": "Zr2 Cu1 Tc1\n1.0\n0.000000 3.291315 3.291315\n3.291315 0.000000 3.291315\n3.291315 3.291315 0.000000\nZr Cu Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Tc"
],
"chemical_system": "Cu-Tc-Zr",
"density": 8.010536843241297,
"density_atomic": 0.05609467659300575,
"volume": 71.30801428844936,
"volume_molar": 10.735672484028333,
"formula_full": "Zr2 Cu1 Tc1",
"formula_reduced": "Zr2CuTc",
"formula_anonymous": "ABC2",
"energy": -32.63455091,
"energy_per_atom": -8.1586377275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.63455091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.942000Z",
"spacegroup": 225
},
{
"id": "mp-13010",
"created_at": "2022-09-04T14:41:33.643599Z",
"structure_string": "Y2 Sn4\n1.0\n2.219936 -8.212862 0.000000\n2.219936 8.212862 0.000000\n0.000000 0.000000 4.373810\nY Sn\n2 4\ndirect\n0.901058 0.098941 0.750000 Y\n0.098941 0.901059 0.250000 Y\n0.563374 0.436626 0.750000 Sn\n0.436626 0.563374 0.250000 Sn\n0.251101 0.748899 0.750000 Sn\n0.748899 0.251101 0.250000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Sn"
],
"chemical_system": "Sn-Y",
"density": 6.795253808616104,
"density_atomic": 0.03762065581033869,
"volume": 159.48685292059994,
"volume_molar": 16.007537960954497,
"formula_full": "Y2 Sn4",
"formula_reduced": "YSn2",
"formula_anonymous": "AB2",
"energy": -32.63182611,
"energy_per_atom": -5.438637685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.63182611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.67e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.294000Z",
"spacegroup": 63
},
{
"id": "mp-1021772",
"created_at": "2022-09-04T14:40:28.935671Z",
"structure_string": "Mg12 Cd2 Ni2\n1.0\n4.849340 0.000000 0.000000\n0.000000 6.199394 0.000000\n0.000000 0.000000 10.564326\nMg Cd Ni\n12 2 2\ndirect\n0.500000 0.251223 0.084242 Mg\n0.500000 0.748777 0.084242 Mg\n0.000000 0.237577 0.912174 Mg\n0.000000 0.762423 0.912174 Mg\n0.000000 0.500000 0.174311 Mg\n0.000000 0.500000 0.666639 Mg\n0.500000 0.751223 0.584242 Mg\n0.500000 0.248777 0.584242 Mg\n0.000000 0.737577 0.412174 Mg\n0.000000 0.262423 0.412174 Mg\n0.000000 0.000000 0.674311 Mg\n0.000000 0.000000 0.166639 Mg\n0.500000 0.500000 0.833528 Cd\n0.500000 0.000000 0.333528 Cd\n0.500000 0.500000 0.332695 Ni\n0.500000 0.000000 0.832695 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Ni"
],
"chemical_system": "Cd-Mg-Ni",
"density": 3.314170179884278,
"density_atomic": 0.05037862556479786,
"volume": 317.5950082127692,
"volume_molar": 11.953761525816576,
"formula_full": "Mg12 Cd2 Ni2",
"formula_reduced": "Mg6CdNi",
"formula_anonymous": "ABC6",
"energy": -32.62861499,
"energy_per_atom": -2.039288436875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.62861499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.110000Z",
"spacegroup": 38
},
{
"id": "mp-1186316",
"created_at": "2022-09-04T14:40:36.256662Z",
"structure_string": "Nd1 In1 O3\n1.0\n4.155854 0.000000 0.000000\n0.000000 4.155854 0.000000\n0.000000 0.000000 4.155854\nNd In O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"In",
"O"
],
"chemical_system": "In-Nd-O",
"density": 7.103770977716351,
"density_atomic": 0.0696609124416715,
"volume": 71.77626339859677,
"volume_molar": 8.644935228263712,
"formula_full": "Nd1 In1 O3",
"formula_reduced": "NdInO3",
"formula_anonymous": "ABC3",
"energy": -34.68600985,
"energy_per_atom": -6.937201969999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.62500985,
"band_gap": 1.6467999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.051000Z",
"spacegroup": 221
},
{
"id": "mp-997036",
"created_at": "2022-09-04T14:43:41.381241Z",
"structure_string": "Cd2 Au2 O4\n1.0\n-4.136860 0.000000 0.000000\n-0.304257 -5.591769 0.000000\n1.726653 2.581817 5.261839\nCd Au O\n2 2 4\ndirect\n0.274540 0.270360 0.529290 Cd\n0.725460 0.729640 0.470710 Cd\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n0.677750 0.161990 0.808550 O\n0.322250 0.838010 0.191450 O\n0.719000 0.281540 0.360090 O\n0.281000 0.718460 0.639910 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Au",
"O"
],
"chemical_system": "Au-Cd-O",
"density": 9.314401331795084,
"density_atomic": 0.06572527102435245,
"volume": 121.71878297825275,
"volume_molar": 9.162595552886627,
"formula_full": "Cd2 Au2 O4",
"formula_reduced": "CdAuO2",
"formula_anonymous": "ABC2",
"energy": -35.37251526,
"energy_per_atom": -4.4215644075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.62451526,
"band_gap": 0.8955,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.127000Z",
"spacegroup": 2
},
{
"id": "mp-1025241",
"created_at": "2022-09-04T14:40:17.941882Z",
"structure_string": "Sc1 Ga5 Fe1\n1.0\n4.161537 0.000000 0.000000\n0.000000 4.161537 0.000000\n0.000000 0.000000 6.702067\nSc Ga Fe\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.304831 Ga\n0.000000 0.500000 0.695169 Ga\n0.500000 0.000000 0.304831 Ga\n0.500000 0.000000 0.695169 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Fe\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Sc",
"density": 6.429560048684565,
"density_atomic": 0.060308948197637754,
"volume": 116.0690114684206,
"volume_molar": 9.985484641955473,
"formula_full": "Sc1 Ga5 Fe1",
"formula_reduced": "ScGa5Fe",
"formula_anonymous": "ABC5",
"energy": -32.62438739,
"energy_per_atom": -4.66062677,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.62438739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004883,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.697000Z",
"spacegroup": 123
},
{
"id": "mp-1110920",
"created_at": "2022-09-04T14:42:42.739890Z",
"structure_string": "K2 Ag1 Bi1 Cl6\n1.0\n0.000000 5.415794 5.415794\n5.415794 0.000000 5.415794\n5.415794 5.415794 0.000000\nK Ag Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.749544 0.250456 0.250456 Cl\n0.250456 0.250456 0.749544 Cl\n0.250456 0.749544 0.749544 Cl\n0.250456 0.749544 0.250456 Cl\n0.749544 0.250456 0.749544 Cl\n0.749544 0.749544 0.250456 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Bi",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-K",
"density": 3.176633353516061,
"density_atomic": 0.031476294063864874,
"volume": 317.69940831376675,
"volume_molar": 19.13230556234218,
"formula_full": "K2 Ag1 Bi1 Cl6",
"formula_reduced": "K2AgBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.30772009,
"energy_per_atom": -3.6307720089999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.62372009,
"band_gap": 2.0583,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.392000Z",
"spacegroup": 225
}
]
}