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=10367",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10365",
"results": [
{
"id": "mp-866095",
"created_at": "2022-09-04T14:46:57.420782Z",
"structure_string": "Ce1 Ni1 O3\n1.0\n3.785418 0.000000 0.000000\n0.000000 3.785418 0.000000\n0.000000 0.000000 3.785418\nCe Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ni\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": [
"Ce",
"Ni",
"O"
],
"chemical_system": "Ce-Ni-O",
"density": 7.555550238569517,
"density_atomic": 0.09217825357007085,
"volume": 54.242728695214055,
"volume_molar": 6.533146948181404,
"formula_full": "Ce1 Ni1 O3",
"formula_reduced": "CeNiO3",
"formula_anonymous": "ABC3",
"energy": -38.54421498000001,
"energy_per_atom": -7.708842996000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.94221498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9985689,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.882000Z",
"spacegroup": 221
},
{
"id": "mp-1205748",
"created_at": "2022-09-04T14:46:19.898496Z",
"structure_string": "Ce2 Ni2 Ge6\n1.0\n4.152862 0.000000 0.000000\n0.000000 0.000000 4.170156\n-2.076431 -10.909819 0.000000\nCe Ni Ge\n2 2 6\ndirect\n0.668423 0.500000 0.336846 Ce\n0.331577 0.500000 0.663154 Ce\n0.890427 0.000000 0.780853 Ni\n0.109573 0.000000 0.219147 Ni\n0.942726 0.500000 0.885452 Ge\n0.057274 0.500000 0.114548 Ge\n0.783534 0.000000 0.567068 Ge\n0.216466 0.000000 0.432932 Ge\n0.557159 0.000000 0.114317 Ge\n0.442841 0.000000 0.885683 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ge"
],
"chemical_system": "Ce-Ge-Ni",
"density": 7.325139284795158,
"density_atomic": 0.052927655062117863,
"volume": 188.93714426349757,
"volume_molar": 11.37806077547209,
"formula_full": "Ce2 Ni2 Ge6",
"formula_reduced": "CeNiGe3",
"formula_anonymous": "ABC3",
"energy": -56.87227568,
"energy_per_atom": -5.687227568,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.87227568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5509713,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.734000Z",
"spacegroup": 65
},
{
"id": "mp-3541",
"created_at": "2022-09-04T14:40:07.058435Z",
"structure_string": "Ce2 Ni2 Ge4\n1.0\n2.111726 -8.305608 0.000000\n2.111726 8.305608 0.000000\n0.000000 0.000000 4.226052\nCe Ni Ge\n2 2 4\ndirect\n0.891779 0.108221 0.250000 Ce\n0.108221 0.891779 0.750000 Ce\n0.681349 0.318651 0.250000 Ni\n0.318651 0.681349 0.750000 Ni\n0.458120 0.541880 0.750000 Ge\n0.541880 0.458120 0.250000 Ge\n0.750238 0.249762 0.750000 Ge\n0.249762 0.750238 0.250000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ge"
],
"chemical_system": "Ce-Ge-Ni",
"density": 7.708618588528199,
"density_atomic": 0.053965494108579835,
"volume": 148.2428750472258,
"volume_molar": 11.159243252518568,
"formula_full": "Ce2 Ni2 Ge4",
"formula_reduced": "CeNiGe2",
"formula_anonymous": "ABC2",
"energy": -47.72738812,
"energy_per_atom": -5.965923515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.72738812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.062034,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.535000Z",
"spacegroup": 63
},
{
"id": "mp-3325",
"created_at": "2022-09-04T14:42:44.607166Z",
"structure_string": "Ce1 Ni2 Ge2\n1.0\n-2.067940 2.067940 4.878084\n2.067940 -2.067940 4.878084\n2.067940 2.067940 -4.878084\nCe Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.630074 0.630074 0.000000 Ge\n0.369926 0.369926 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ge"
],
"chemical_system": "Ce-Ge-Ni",
"density": 8.01557866411645,
"density_atomic": 0.059921802774154494,
"volume": 83.44208232260667,
"volume_molar": 10.049999301084902,
"formula_full": "Ce1 Ni2 Ge2",
"formula_reduced": "Ce(NiGe)2",
"formula_anonymous": "AB2C2",
"energy": -30.07640199,
"energy_per_atom": -6.015280398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.07640199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5733892,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.791000Z",
"spacegroup": 139
},
{
"id": "mp-1076951",
"created_at": "2022-09-04T14:40:36.510678Z",
"structure_string": "Ce2 Ni2 Ge2\n1.0\n2.102493 -3.641624 0.000000\n2.102493 3.641624 0.000000\n0.000000 0.000000 7.686755\nCe Ni Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ge"
],
"chemical_system": "Ce-Ge-Ni",
"density": 7.658880323566977,
"density_atomic": 0.05097398121541666,
"volume": 117.70710972415374,
"volume_molar": 11.814146386860308,
"formula_full": "Ce2 Ni2 Ge2",
"formula_reduced": "CeNiGe",
"formula_anonymous": "ABC",
"energy": -37.10257135,
"energy_per_atom": -6.183761891666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.10257135,
"band_gap": 0.0567999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.48e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.461000Z",
"spacegroup": 194
},
{
"id": "mp-20616",
"created_at": "2022-09-04T14:39:29.657226Z",
"structure_string": "Ce4 Ni4 Ge4\n1.0\n4.305639 0.000000 0.000000\n0.000000 7.202070 0.000000\n0.000000 0.000000 7.208305\nCe Ni Ge\n4 4 4\ndirect\n0.750000 0.511805 0.290561 Ce\n0.250000 0.488195 0.709439 Ce\n0.250000 0.988195 0.790561 Ce\n0.750000 0.011805 0.209439 Ce\n0.250000 0.701956 0.079535 Ni\n0.250000 0.201956 0.420465 Ni\n0.750000 0.798044 0.579535 Ni\n0.750000 0.298044 0.920465 Ni\n0.250000 0.802279 0.409748 Ge\n0.250000 0.302279 0.090252 Ge\n0.750000 0.697721 0.909748 Ge\n0.750000 0.197721 0.590252 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ge"
],
"chemical_system": "Ce-Ge-Ni",
"density": 8.066216382266816,
"density_atomic": 0.053685022480892026,
"volume": 223.52603101304706,
"volume_molar": 11.217543519039124,
"formula_full": "Ce4 Ni4 Ge4",
"formula_reduced": "CeNiGe",
"formula_anonymous": "ABC",
"energy": -74.21415617,
"energy_per_atom": -6.184513014166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.21415617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.929000Z",
"spacegroup": 62
},
{
"id": "mp-19741",
"created_at": "2022-09-04T14:46:17.677344Z",
"structure_string": "Ce1 Ni1 C2\n1.0\n2.273811 -3.004667 0.000000\n2.273811 3.004667 0.000000\n0.000000 0.000000 3.822816\nCe Ni C\n1 1 2\ndirect\n0.005744 0.994256 0.000000 Ce\n0.399911 0.600089 0.500000 Ni\n0.558620 0.135875 0.500000 C\n0.864125 0.441380 0.500000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"C"
],
"chemical_system": "C-Ce-Ni",
"density": 7.083700908421734,
"density_atomic": 0.07657656659132868,
"volume": 52.23530092889995,
"volume_molar": 7.864208370869856,
"formula_full": "Ce1 Ni1 C2",
"formula_reduced": "CeNiC2",
"formula_anonymous": "ABC2",
"energy": -31.1015073,
"energy_per_atom": -7.775376825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.1015073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0644338,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.951000Z",
"spacegroup": 38
},
{
"id": "mp-1191074",
"created_at": "2022-09-04T14:40:24.041427Z",
"structure_string": "Ce4 Ni4 B16\n1.0\n-3.806855 3.806855 4.286909\n3.806855 -3.806855 4.286909\n3.806855 3.806855 -4.286909\nCe Ni B\n4 4 16\ndirect\n0.799438 0.799438 0.000000 Ce\n0.200562 0.200562 0.000000 Ce\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.271670 0.500000 0.771670 Ni\n0.728330 0.500000 0.228330 Ni\n0.500000 0.728330 0.228330 Ni\n0.500000 0.271670 0.771670 Ni\n0.274422 0.111363 0.385785 B\n0.725578 0.888637 0.614215 B\n0.274422 0.888637 0.163059 B\n0.725578 0.111363 0.836941 B\n0.111363 0.725578 0.836941 B\n0.888637 0.274422 0.163059 B\n0.111363 0.274422 0.385785 B\n0.888637 0.725578 0.614215 B\n0.113097 0.113097 0.531533 B\n0.581563 0.581563 0.468467 B\n0.113097 0.581563 0.000000 B\n0.581563 0.113097 0.000000 B\n0.886903 0.886903 0.468467 B\n0.418437 0.418437 0.531533 B\n0.886903 0.418437 0.000000 B\n0.418437 0.886903 0.000000 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"B"
],
"chemical_system": "B-Ce-Ni",
"density": 6.469688184036909,
"density_atomic": 0.09657713446134597,
"volume": 248.50602716531995,
"volume_molar": 6.235576147074752,
"formula_full": "Ce4 Ni4 B16",
"formula_reduced": "CeNiB4",
"formula_anonymous": "ABC4",
"energy": -167.76355872,
"energy_per_atom": -6.99014828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.76355872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.369174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.813000Z",
"spacegroup": 139
},
{
"id": "mp-1079455",
"created_at": "2022-09-04T14:39:11.170185Z",
"structure_string": "Ce2 Ni2 As2 O2\n1.0\n4.014537 0.000000 0.000000\n0.000000 4.014537 0.000000\n0.000000 0.000000 7.907230\nCe Ni As O\n2 2 2 2\ndirect\n0.000000 0.500000 0.845261 Ce\n0.500000 0.000000 0.154739 Ce\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.351368 As\n0.500000 0.000000 0.648632 As\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ce",
"Ni",
"As",
"O"
],
"chemical_system": "As-Ce-Ni-O",
"density": 7.550537307938329,
"density_atomic": 0.06277615120505088,
"volume": 127.4369302104703,
"volume_molar": 9.593039146871856,
"formula_full": "Ce2 Ni2 As2 O2",
"formula_reduced": "CeNiAsO",
"formula_anonymous": "ABCD",
"energy": -55.14998677,
"energy_per_atom": -6.89374834625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.69398677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.471055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.727000Z",
"spacegroup": 129
},
{
"id": "mp-21006",
"created_at": "2022-09-04T14:42:19.914899Z",
"structure_string": "Ce1 Ni2 As2\n1.0\n-2.052100 2.052100 5.016459\n2.052100 -2.052100 5.016459\n2.052100 2.052100 -5.016459\nCe Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.368322 0.368322 0.000000 As\n0.631678 0.631678 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"As"
],
"chemical_system": "As-Ce-Ni",
"density": 8.004943194255544,
"density_atomic": 0.05917192596499068,
"volume": 84.49953112829674,
"volume_molar": 10.177361412172091,
"formula_full": "Ce1 Ni2 As2",
"formula_reduced": "Ce(NiAs)2",
"formula_anonymous": "AB2C2",
"energy": -30.7640807,
"energy_per_atom": -6.1528161400000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.7640807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2998419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.997000Z",
"spacegroup": 139
},
{
"id": "mp-610645",
"created_at": "2022-09-04T14:41:52.466075Z",
"structure_string": "Ce2 Ni4 As4\n1.0\n4.143067 0.000000 0.000000\n0.000000 4.143067 0.000000\n0.000000 0.000000 9.129488\nCe Ni As\n2 4 4\ndirect\n0.500000 0.000000 0.252571 Ce\n0.000000 0.500000 0.747429 Ce\n0.500000 0.000000 0.882809 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.117191 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.370298 As\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 0.629702 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"As"
],
"chemical_system": "As-Ce-Ni",
"density": 8.63281062170496,
"density_atomic": 0.06381307381967213,
"volume": 156.70769955791135,
"volume_molar": 9.437158249135319,
"formula_full": "Ce2 Ni4 As4",
"formula_reduced": "Ce(NiAs)2",
"formula_anonymous": "AB2C2",
"energy": -61.71383967,
"energy_per_atom": -6.171383967,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.71383967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.043861,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.226000Z",
"spacegroup": 129
},
{
"id": "mp-1061766",
"created_at": "2022-09-04T14:45:39.215971Z",
"structure_string": "Ce1 Ni1 As1\n1.0\n2.051858 -3.553923 0.000000\n2.051858 3.553923 0.000000\n0.000000 0.000000 3.967699\nCe Ni As\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ce\n0.333333 0.666667 0.500000 Ni\n0.000000 0.000000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"As"
],
"chemical_system": "As-Ce-Ni",
"density": 7.855051772756639,
"density_atomic": 0.05184384757551246,
"volume": 57.866075538286196,
"volume_molar": 11.615921737345078,
"formula_full": "Ce1 Ni1 As1",
"formula_reduced": "CeNiAs",
"formula_anonymous": "ABC",
"energy": -19.43592804,
"energy_per_atom": -6.47864268,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.43592804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9795423,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.101000Z",
"spacegroup": 187
}
]
}