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=-elements&page=10245",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10243",
"results": [
{
"id": "mp-1214761",
"created_at": "2022-09-04T14:45:13.732703Z",
"structure_string": "Ba1 As12 Ru4\n1.0\n-4.323937 4.323937 4.323937\n4.323937 -4.323937 4.323937\n4.323937 4.323937 -4.323937\nBa As Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.847627 0.646841 0.494468 As\n0.152373 0.353159 0.505532 As\n0.152373 0.646841 0.799215 As\n0.847627 0.353159 0.200785 As\n0.646841 0.494468 0.847627 As\n0.353159 0.505532 0.152373 As\n0.646841 0.799215 0.152373 As\n0.353159 0.200785 0.847627 As\n0.494468 0.847627 0.646841 As\n0.505532 0.152373 0.353159 As\n0.200785 0.847627 0.353159 As\n0.799215 0.152373 0.646841 As\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ba",
"As",
"Ru"
],
"chemical_system": "As-Ba-Ru",
"density": 7.398001250469284,
"density_atomic": 0.05257155912330209,
"volume": 323.36876218808646,
"volume_molar": 11.45513060755072,
"formula_full": "Ba1 As12 Ru4",
"formula_reduced": "Ba(As3Ru)4",
"formula_anonymous": "AB4C12",
"energy": -102.11477493,
"energy_per_atom": -6.006751466470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.11477493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.732000Z",
"spacegroup": 204
},
{
"id": "mp-568113",
"created_at": "2022-09-04T14:47:56.020366Z",
"structure_string": "Ba1 As2 Rh2\n1.0\n-2.049330 2.049330 6.530893\n2.049330 -2.049330 6.530893\n2.049330 2.049330 -6.530893\nBa As Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.356253 0.356253 0.000000 As\n0.643747 0.643747 0.000000 As\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"Rh"
],
"chemical_system": "As-Ba-Rh",
"density": 7.461447711427047,
"density_atomic": 0.0455736328354121,
"volume": 109.71256160458745,
"volume_molar": 13.214089782459942,
"formula_full": "Ba1 As2 Rh2",
"formula_reduced": "Ba(AsRh)2",
"formula_anonymous": "AB2C2",
"energy": -30.04544575,
"energy_per_atom": -6.009089149999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.04544575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0168059,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.438000Z",
"spacegroup": 139
},
{
"id": "mp-14501",
"created_at": "2022-09-04T14:43:54.226777Z",
"structure_string": "Ba2 As12 Pt8\n1.0\n4.232627 4.426379 0.000000\n-4.232627 4.426379 0.000000\n0.000000 0.158084 12.179575\nBa As Pt\n2 12 8\ndirect\n0.605738 0.394262 0.750000 Ba\n0.394262 0.605738 0.250000 Ba\n0.092186 0.137796 0.308657 As\n0.862204 0.907814 0.191343 As\n0.907814 0.862204 0.691343 As\n0.137796 0.092186 0.808657 As\n0.623455 0.876463 0.944838 As\n0.123537 0.376545 0.555162 As\n0.376545 0.123537 0.055162 As\n0.876463 0.623455 0.444838 As\n0.877081 0.385224 0.054512 As\n0.614776 0.122919 0.445488 As\n0.385224 0.877081 0.554512 As\n0.122919 0.614776 0.945488 As\n0.507282 0.917144 0.749804 Pt\n0.082856 0.492718 0.750196 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.917144 0.507282 0.249804 Pt\n0.492718 0.082856 0.250196 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pt"
],
"chemical_system": "As-Ba-Pt",
"density": 9.949197857826224,
"density_atomic": 0.04820609544448095,
"volume": 456.3738215499623,
"volume_molar": 12.492488147968158,
"formula_full": "Ba2 As12 Pt8",
"formula_reduced": "Ba(As3Pt2)2",
"formula_anonymous": "AB4C6",
"energy": -122.91456311,
"energy_per_atom": -5.587025595909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.91456311,
"band_gap": 0.1901000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009858,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.484000Z",
"spacegroup": 15
},
{
"id": "mp-9769",
"created_at": "2022-09-04T14:44:24.238518Z",
"structure_string": "Ba2 As4 Pt2\n1.0\n2.372616 -8.705038 0.000000\n2.372616 8.705038 0.000000\n0.000000 0.000000 4.663977\nBa As Pt\n2 4 2\ndirect\n0.395444 0.604556 0.250000 Ba\n0.604556 0.395444 0.750000 Ba\n0.038918 0.961082 0.250000 As\n0.961082 0.038918 0.750000 As\n0.250293 0.749707 0.750000 As\n0.749707 0.250293 0.250000 As\n0.812615 0.187385 0.750000 Pt\n0.187385 0.812615 0.250000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pt"
],
"chemical_system": "As-Ba-Pt",
"density": 8.313245194712078,
"density_atomic": 0.04152460072074074,
"volume": 192.65687956402562,
"volume_molar": 14.50258558896162,
"formula_full": "Ba2 As4 Pt2",
"formula_reduced": "BaAs2Pt",
"formula_anonymous": "ABC2",
"energy": -41.40520259,
"energy_per_atom": -5.17565032375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.40520259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003196,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.886000Z",
"spacegroup": 63
},
{
"id": "mp-8458",
"created_at": "2022-09-04T14:40:14.606209Z",
"structure_string": "Ba4 As4 Pt4\n1.0\n6.829255 0.000000 0.000000\n0.000000 6.829255 0.000000\n0.000000 0.000000 6.829255\nBa As Pt\n4 4 4\ndirect\n0.610121 0.389879 0.889879 Ba\n0.389879 0.889879 0.610121 Ba\n0.110121 0.110121 0.110121 Ba\n0.889879 0.610121 0.389879 Ba\n0.171194 0.328806 0.671194 As\n0.671194 0.171194 0.328806 As\n0.328806 0.671194 0.171194 As\n0.828806 0.828806 0.828806 As\n0.595574 0.904426 0.095574 Pt\n0.095574 0.595574 0.904426 Pt\n0.404426 0.404426 0.404426 Pt\n0.904426 0.095574 0.595574 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pt"
],
"chemical_system": "As-Ba-Pt",
"density": 8.494508792482721,
"density_atomic": 0.03767569375964508,
"volume": 318.50773808054873,
"volume_molar": 15.984153598918974,
"formula_full": "Ba4 As4 Pt4",
"formula_reduced": "BaAsPt",
"formula_anonymous": "ABC",
"energy": -62.54059751,
"energy_per_atom": -5.2117164591666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.54059751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003536,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.543000Z",
"spacegroup": 198
},
{
"id": "mp-9744",
"created_at": "2022-09-04T14:44:23.863988Z",
"structure_string": "Ba1 As1 Pd1\n1.0\n2.197093 -3.805476 0.000000\n2.197093 3.805476 0.000000\n0.000000 0.000000 4.830207\nBa As Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 As\n0.333333 0.666667 0.500000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pd"
],
"chemical_system": "As-Ba-Pd",
"density": 6.551416399237807,
"density_atomic": 0.03714223969404272,
"volume": 80.77057346870693,
"volume_molar": 16.213725423149153,
"formula_full": "Ba1 As1 Pd1",
"formula_reduced": "BaAsPd",
"formula_anonymous": "ABC",
"energy": -14.54933419,
"energy_per_atom": -4.849778063333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.54933419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057075,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.317000Z",
"spacegroup": 187
},
{
"id": "mp-9767",
"created_at": "2022-09-04T14:44:08.917036Z",
"structure_string": "Ba2 As4 Pd2\n1.0\n2.378570 -8.757372 0.000000\n2.378570 8.757372 0.000000\n0.000000 0.000000 4.643097\nBa As Pd\n2 4 2\ndirect\n0.394408 0.605592 0.250000 Ba\n0.605592 0.394408 0.750000 Ba\n0.037539 0.962461 0.250000 As\n0.962461 0.037539 0.750000 As\n0.250263 0.749737 0.750000 As\n0.749737 0.250263 0.250000 As\n0.813900 0.186100 0.750000 Pd\n0.186100 0.813900 0.250000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pd"
],
"chemical_system": "As-Ba-Pd",
"density": 6.75765291516659,
"density_atomic": 0.04135828288043864,
"volume": 193.4316282696491,
"volume_molar": 14.560906160947777,
"formula_full": "Ba2 As4 Pd2",
"formula_reduced": "BaAs2Pd",
"formula_anonymous": "ABC2",
"energy": -39.41044946,
"energy_per_atom": -4.9263061825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.41044946,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001377,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.116000Z",
"spacegroup": 63
},
{
"id": "mp-571350",
"created_at": "2022-09-04T14:43:52.621673Z",
"structure_string": "Ba2 As4 Pd4\n1.0\n-2.270537 2.270537 10.529292\n2.270537 -2.270537 10.529292\n2.270537 2.270537 -10.529292\nBa As Pd\n2 4 4\ndirect\n0.623513 0.623513 0.000000 Ba\n0.376487 0.376487 0.000000 Ba\n0.750000 0.250000 0.500000 As\n0.933266 0.933266 0.000000 As\n0.066734 0.066734 0.000000 As\n0.250000 0.750000 0.500000 As\n0.000000 0.500000 0.500000 Pd\n0.192632 0.192632 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.807368 0.807368 0.000000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pd"
],
"chemical_system": "As-Ba-Pd",
"density": 7.647889932829184,
"density_atomic": 0.04605573017150499,
"volume": 217.12824794572626,
"volume_molar": 13.075768721013443,
"formula_full": "Ba2 As4 Pd4",
"formula_reduced": "Ba(AsPd)2",
"formula_anonymous": "AB2C2",
"energy": -51.02664261,
"energy_per_atom": -5.102664261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.02664261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.44e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.299000Z",
"spacegroup": 139
},
{
"id": "mp-8237",
"created_at": "2022-09-04T14:44:29.877080Z",
"structure_string": "Ba1 As2 Pd2\n1.0\n4.420844 0.000000 0.000000\n0.000000 4.420844 0.000000\n0.000000 0.000000 5.794383\nBa As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.732698 As\n0.500000 0.500000 0.267302 As\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pd"
],
"chemical_system": "As-Ba-Pd",
"density": 7.33179617765174,
"density_atomic": 0.04415220791566563,
"volume": 113.24461982853526,
"volume_molar": 13.639500818402528,
"formula_full": "Ba1 As2 Pd2",
"formula_reduced": "Ba(AsPd)2",
"formula_anonymous": "AB2C2",
"energy": -25.41329625,
"energy_per_atom": -5.08265925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.41329625,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001558,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.178000Z",
"spacegroup": 123
},
{
"id": "mp-6962",
"created_at": "2022-09-04T14:46:01.761900Z",
"structure_string": "Ba1 As2 Pd2\n1.0\n-2.265514 2.265514 5.348061\n2.265514 -2.265514 5.348061\n2.265514 2.265514 -5.348061\nBa As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.631932 0.631932 0.000000 As\n0.368068 0.368068 0.000000 As\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pd"
],
"chemical_system": "As-Ba-Pd",
"density": 7.5620251464976205,
"density_atomic": 0.04553865089012764,
"volume": 109.7968407554198,
"volume_molar": 13.224240600648853,
"formula_full": "Ba1 As2 Pd2",
"formula_reduced": "Ba(AsPd)2",
"formula_anonymous": "AB2C2",
"energy": -25.36932081,
"energy_per_atom": -5.0738641620000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.36932081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000203,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.186000Z",
"spacegroup": 139
},
{
"id": "mp-1013711",
"created_at": "2022-09-04T14:47:01.652615Z",
"structure_string": "Ba3 As1 P1\n1.0\n6.166984 0.000000 0.000000\n0.000000 6.166984 0.000000\n0.000000 0.000000 6.166984\nBa As P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"P"
],
"chemical_system": "As-Ba-P",
"density": 3.666542479338332,
"density_atomic": 0.021318249432598503,
"volume": 234.54083393706426,
"volume_molar": 28.24875831873572,
"formula_full": "Ba3 As1 P1",
"formula_reduced": "Ba3AsP",
"formula_anonymous": "ABC3",
"energy": -18.34228132,
"energy_per_atom": -3.6684562640000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.34228132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.379000Z",
"spacegroup": 221
},
{
"id": "mp-1013586",
"created_at": "2022-09-04T14:47:04.576880Z",
"structure_string": "Ba3 As1 P1\n1.0\n6.070904 0.000000 0.000000\n0.000000 6.070904 0.000000\n0.000000 0.000000 6.070904\nBa As P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"P"
],
"chemical_system": "As-Ba-P",
"density": 3.8433956108279888,
"density_atomic": 0.02234652039666845,
"volume": 223.74848125104208,
"volume_molar": 26.948896978599926,
"formula_full": "Ba3 As1 P1",
"formula_reduced": "Ba3AsP",
"formula_anonymous": "ABC3",
"energy": -19.25715754,
"energy_per_atom": -3.851431508,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.25715754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.572000Z",
"spacegroup": 221
}
]
}