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=structure_string&page=1714",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=1712",
"results": [
{
"id": "mp-20530",
"created_at": "2022-09-04T14:41:50.961983Z",
"structure_string": "Ce1 Cr1 O3\n1.0\n3.906550 0.000000 0.000000\n0.000000 3.906550 0.000000\n0.000000 0.000000 3.906550\nCe Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.499999 0.499999 0.499999 Cr\n0.000000 0.499999 0.499999 O\n0.499999 0.000000 0.499999 O\n0.499999 0.499999 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Cr",
"O"
],
"chemical_system": "Ce-Cr-O",
"density": 6.687745320618523,
"density_atomic": 0.08386675561546944,
"volume": 59.618378740261385,
"volume_molar": 7.1806053731369115,
"formula_full": "Ce1 Cr1 O3",
"formula_reduced": "CeCrO3",
"formula_anonymous": "ABC3",
"energy": -45.28598243,
"energy_per_atom": -9.057196485999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.22598243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0008028,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.759000Z",
"spacegroup": 221
},
{
"id": "mp-2873",
"created_at": "2022-09-04T14:40:17.767233Z",
"structure_string": "Ce1 Cr2 B6\n1.0\n-1.536352 3.268325 4.162022\n1.536352 -3.268325 4.162022\n1.536352 3.268325 -4.162022\nCe Cr B\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.654416 0.154416 0.500000 Cr\n0.345584 0.845585 0.500000 Cr\n0.540970 0.303638 0.237332 B\n0.459030 0.696362 0.762668 B\n0.933693 0.696362 0.237332 B\n0.357596 0.500000 0.857595 B\n0.642405 0.500000 0.142405 B\n0.066307 0.303638 0.762668 B\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Cr",
"B"
],
"chemical_system": "B-Ce-Cr",
"density": 6.137492649249031,
"density_atomic": 0.10766193486062678,
"volume": 83.59500515805243,
"volume_molar": 5.5935654210524195,
"formula_full": "Ce1 Cr2 B6",
"formula_reduced": "Ce(CrB3)2",
"formula_anonymous": "AB2C6",
"energy": -70.87231831,
"energy_per_atom": -7.874702034444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.87231831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.582000Z",
"spacegroup": 71
},
{
"id": "mp-1207209",
"created_at": "2022-09-04T14:44:13.997686Z",
"structure_string": "Ce1 Cr2 Si2\n1.0\n-1.972694 1.972694 5.319174\n1.972694 -1.972694 5.319174\n1.972694 1.972694 -5.319174\nCe Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.381356 0.381356 0.000000 Si\n0.618644 0.618644 0.000000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Cr",
"Si"
],
"chemical_system": "Ce-Cr-Si",
"density": 6.022138117814534,
"density_atomic": 0.06038740517853617,
"volume": 82.79872243586942,
"volume_molar": 9.972511225139515,
"formula_full": "Ce1 Cr2 Si2",
"formula_reduced": "Ce(CrSi)2",
"formula_anonymous": "AB2C2",
"energy": -37.81926335,
"energy_per_atom": -7.56385267,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.96126335,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0047034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.655000Z",
"spacegroup": 139
},
{
"id": "mp-6258",
"created_at": "2022-09-04T14:41:37.058305Z",
"structure_string": "Ce1 Cr2 Si2 C1\n1.0\n3.985593 0.000000 0.000000\n0.000000 3.985593 0.000000\n0.000000 0.000000 5.261716\nCe Cr Si C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.771399 Si\n0.500000 0.500000 0.228601 Si\n0.000000 0.000000 0.500000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"Cr",
"Si",
"C"
],
"chemical_system": "C-Ce-Cr-Si",
"density": 6.204313549588989,
"density_atomic": 0.07178570205641377,
"volume": 83.58210379115354,
"volume_molar": 8.389053234120938,
"formula_full": "Ce1 Cr2 Si2 C1",
"formula_reduced": "CeCr2Si2C",
"formula_anonymous": "ABC2D2",
"energy": -48.12509347,
"energy_per_atom": -8.020848911666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.267093470000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0793718,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.387000Z",
"spacegroup": 123
},
{
"id": "mp-1226602",
"created_at": "2022-09-04T14:39:42.861150Z",
"structure_string": "Ce1 Cu1 Ge1\n1.0\n2.100742 -3.638591 0.000000\n2.100742 3.638591 0.000000\n0.000000 0.000000 4.043065\nCe Cu Ge\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ce\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Ge"
],
"chemical_system": "Ce-Cu-Ge",
"density": 7.423119423155794,
"density_atomic": 0.04853718401602154,
"volume": 61.80828288286638,
"volume_molar": 12.407272655150667,
"formula_full": "Ce1 Cu1 Ge1",
"formula_reduced": "CeCuGe",
"formula_anonymous": "ABC",
"energy": -16.36969865,
"energy_per_atom": -5.456566216666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.36969865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0221644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.035000Z",
"spacegroup": 187
},
{
"id": "mp-1096766",
"created_at": "2022-09-04T14:41:00.931972Z",
"structure_string": "Ce1 Cu1 N2\n1.0\n3.917095 0.000000 0.000000\n0.000000 3.917095 0.000000\n0.000000 0.000000 3.264182\nCe Cu N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"N"
],
"chemical_system": "Ce-Cu-N",
"density": 7.681153505847588,
"density_atomic": 0.07986516933151656,
"volume": 50.08441143342711,
"volume_molar": 7.540384388346284,
"formula_full": "Ce1 Cu1 N2",
"formula_reduced": "CeCuN2",
"formula_anonymous": "ABC2",
"energy": -29.725141930000003,
"energy_per_atom": -7.431285482500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.00314193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0121222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.097000Z",
"spacegroup": 123
},
{
"id": "mp-977389",
"created_at": "2022-09-04T14:43:03.322835Z",
"structure_string": "Ce1 Cu1 O3\n1.0\n3.832895 0.000000 0.000000\n0.000000 3.832895 0.000000\n0.000000 0.000000 3.832895\nCe Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"O"
],
"chemical_system": "Ce-Cu-O",
"density": 7.421349221597679,
"density_atomic": 0.08879514849193952,
"volume": 56.30938271874032,
"volume_molar": 6.7820605768193145,
"formula_full": "Ce1 Cu1 O3",
"formula_reduced": "CeCuO3",
"formula_anonymous": "ABC3",
"energy": -36.55096574,
"energy_per_atom": -7.310193148000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.48996574,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5691239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.655000Z",
"spacegroup": 221
},
{
"id": "mp-1226665",
"created_at": "2022-09-04T14:43:24.339751Z",
"structure_string": "Ce1 Cu1 Pt4\n1.0\n2.686938 -4.653913 0.000000\n2.686938 4.653913 0.000000\n0.000000 0.000000 4.358472\nCe Cu Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Pt\n0.003846 0.501923 0.500000 Pt\n0.498077 0.501923 0.500000 Pt\n0.498077 0.996154 0.500000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Pt"
],
"chemical_system": "Ce-Cu-Pt",
"density": 14.990052416937719,
"density_atomic": 0.05504413973551163,
"volume": 109.00342940829195,
"volume_molar": 10.940566586990961,
"formula_full": "Ce1 Cu1 Pt4",
"formula_reduced": "CeCuPt4",
"formula_anonymous": "ABC4",
"energy": -38.1238556,
"energy_per_atom": -6.353975933333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.1238556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8807675,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.775000Z",
"spacegroup": 187
},
{
"id": "mp-1226620",
"created_at": "2022-09-04T14:42:49.006269Z",
"structure_string": "Ce1 Cu1 Si1\n1.0\n2.056462 -3.561896 0.000000\n2.056462 3.561896 0.000000\n0.000000 0.000000 4.046824\nCe Cu Si\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ce\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.500000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Si"
],
"chemical_system": "Ce-Cu-Si",
"density": 6.491094308631935,
"density_atomic": 0.050602854779264274,
"volume": 59.28519276405175,
"volume_molar": 11.90079252696177,
"formula_full": "Ce1 Cu1 Si1",
"formula_reduced": "CeCuSi",
"formula_anonymous": "ABC",
"energy": -17.06267972,
"energy_per_atom": -5.687559906666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.13367972,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9872135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.577000Z",
"spacegroup": 187
},
{
"id": "mp-1226605",
"created_at": "2022-09-04T14:45:12.535914Z",
"structure_string": "Ce1 Cu1 Si2 Ni1\n1.0\n-2.025299 2.025299 4.836521\n2.025299 -2.025299 4.836521\n2.025299 2.025299 -4.836521\nCe Cu Si Ni\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.624236 0.624236 0.000000 Si\n0.375764 0.375764 0.000000 Si\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ce",
"Cu",
"Si",
"Ni"
],
"chemical_system": "Ce-Cu-Ni-Si",
"density": 6.6653531567887985,
"density_atomic": 0.06300842714946692,
"volume": 79.35446457247906,
"volume_molar": 9.557675111798043,
"formula_full": "Ce1 Cu1 Si2 Ni1",
"formula_reduced": "CeCuSi2Ni",
"formula_anonymous": "ABCD2",
"energy": -29.98218894,
"energy_per_atom": -5.996437788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.12418894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.835000Z",
"spacegroup": 119
},
{
"id": "mp-1226625",
"created_at": "2022-09-04T14:39:28.411727Z",
"structure_string": "Ce1 Cu1 Si2 Pd1\n1.0\n-2.054497 2.054497 5.039467\n2.054497 -2.054497 5.039467\n2.054497 2.054497 -5.039467\nCe Cu Si Pd\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.617259 0.617259 0.000000 Si\n0.382741 0.382741 0.000000 Si\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ce",
"Cu",
"Si",
"Pd"
],
"chemical_system": "Ce-Cu-Pd-Si",
"density": 7.1478374619761755,
"density_atomic": 0.05876441058571152,
"volume": 85.08551264556958,
"volume_molar": 10.2479386757676,
"formula_full": "Ce1 Cu1 Si2 Pd1",
"formula_reduced": "CeCuSi2Pd",
"formula_anonymous": "ABCD2",
"energy": -29.67317401,
"energy_per_atom": -5.934634802,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.81517401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0438062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.328000Z",
"spacegroup": 119
},
{
"id": "mp-1226642",
"created_at": "2022-09-04T14:42:17.024476Z",
"structure_string": "Ce1 Cu1 Si2 Ru1\n1.0\n-2.016370 2.016370 5.110711\n2.016370 -2.016370 5.110711\n2.016370 2.016370 -5.110711\nCe Cu Si Ru\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.619339 0.619339 0.000000 Si\n0.380661 0.380661 0.000000 Si\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ce",
"Cu",
"Si",
"Ru"
],
"chemical_system": "Ce-Cu-Ru-Si",
"density": 7.210374472659222,
"density_atomic": 0.060157286059786534,
"volume": 83.11545163508232,
"volume_molar": 10.010658981548758,
"formula_full": "Ce1 Cu1 Si2 Ru1",
"formula_reduced": "CeCuSi2Ru",
"formula_anonymous": "ABCD2",
"energy": -33.18098713,
"energy_per_atom": -6.636197426,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.32298713,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4109809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.450000Z",
"spacegroup": 119
}
]
}