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=-density&page=49",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=47",
"results": [
{
"id": "mp-1187629",
"created_at": "2022-09-04T14:40:44.043981Z",
"structure_string": "Yb1 Pa1 Ir2\n1.0\n0.000000 3.418920 3.418920\n3.418920 0.000000 3.418920\n3.418920 3.418920 0.000000\nYb Pa Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pa\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pa",
"Ir"
],
"chemical_system": "Ir-Pa-Yb",
"density": 16.381717219191753,
"density_atomic": 0.05004528644261546,
"volume": 79.92760726000857,
"volume_molar": 12.03338253824424,
"formula_full": "Yb1 Pa1 Ir2",
"formula_reduced": "YbPaIr2",
"formula_anonymous": "ABC2",
"energy": -31.4810008,
"energy_per_atom": -7.8702502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.4810008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0412687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.731000Z",
"spacegroup": 225
},
{
"id": "mp-1191930",
"created_at": "2022-09-04T14:46:24.221388Z",
"structure_string": "Ce6 Ir18\n1.0\n2.667520 -4.620281 0.000000\n2.667520 4.620281 0.000000\n0.000000 0.000000 17.686686\nCe Ir\n6 18\ndirect\n0.333333 0.666667 0.957877 Ce\n0.666667 0.333333 0.042123 Ce\n0.666667 0.333333 0.457877 Ce\n0.333333 0.666667 0.542123 Ce\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.167379 0.832621 0.373480 Ir\n0.167379 0.334759 0.373480 Ir\n0.665241 0.832621 0.373480 Ir\n0.832621 0.167379 0.626520 Ir\n0.832621 0.665241 0.626520 Ir\n0.334759 0.167379 0.626520 Ir\n0.832621 0.167379 0.873480 Ir\n0.832621 0.665241 0.873480 Ir\n0.334759 0.167379 0.873480 Ir\n0.167379 0.832621 0.126520 Ir\n0.167379 0.334759 0.126520 Ir\n0.665241 0.832621 0.126520 Ir\n0.333333 0.666667 0.250000 Ir\n0.666667 0.333333 0.750000 Ir\n0.000000 0.000000 0.250000 Ir\n0.000000 0.000000 0.750000 Ir\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ce",
"Ir"
],
"chemical_system": "Ce-Ir",
"density": 16.380449485570303,
"density_atomic": 0.055050175327973336,
"volume": 435.9659139505879,
"volume_molar": 10.939367084885369,
"formula_full": "Ce6 Ir18",
"formula_reduced": "CeIr3",
"formula_anonymous": "AB3",
"energy": -209.91387587,
"energy_per_atom": -8.746411494583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.91387587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008631,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.928000Z",
"spacegroup": 194
},
{
"id": "mp-11555",
"created_at": "2022-09-04T14:46:34.587042Z",
"structure_string": "Pu1 Ru1\n1.0\n3.271976 0.000000 0.000000\n0.000000 3.271976 0.000000\n0.000000 0.000000 3.271976\nPu Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Ru"
],
"chemical_system": "Pu-Ru",
"density": 16.35784064122525,
"density_atomic": 0.057095209033036644,
"volume": 35.029208822806,
"volume_molar": 10.547541312118582,
"formula_full": "Pu1 Ru1",
"formula_reduced": "PuRu",
"formula_anonymous": "AB",
"energy": -23.71950551,
"energy_per_atom": -11.859752755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.71950551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.18239,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.495000Z",
"spacegroup": 221
},
{
"id": "mp-1400",
"created_at": "2022-09-04T14:48:22.737372Z",
"structure_string": "Hf2 W4\n1.0\n0.000000 3.813462 3.813462\n3.813462 0.000000 3.813462\n3.813462 3.813462 0.000000\nHf W\n2 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Hf\n0.625000 0.625000 0.625000 W\n0.125000 0.625000 0.625000 W\n0.625000 0.125000 0.625000 W\n0.625000 0.625000 0.125000 W\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"W"
],
"chemical_system": "Hf-W",
"density": 16.35379952578737,
"density_atomic": 0.05409572994075858,
"volume": 110.91448449943705,
"volume_molar": 11.132377299640801,
"formula_full": "Hf2 W4",
"formula_reduced": "HfW2",
"formula_anonymous": "AB2",
"energy": -72.78108055,
"energy_per_atom": -12.130180091666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.78108055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:07.859000Z",
"spacegroup": 227
},
{
"id": "mp-7142",
"created_at": "2022-09-04T14:44:15.328026Z",
"structure_string": "Os1 C1\n1.0\n1.473934 -2.552929 0.000000\n1.473934 2.552929 0.000000\n0.000000 0.000000 2.730268\nOs C\n1 1\ndirect\n0.000000 0.000000 0.000000 Os\n0.666667 0.333333 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 16.344273040301225,
"density_atomic": 0.09733699784720046,
"volume": 20.547171622650602,
"volume_molar": 6.186897986573976,
"formula_full": "Os1 C1",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy": -18.6238624,
"energy_per_atom": -9.3119312,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.6238624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.359000Z",
"spacegroup": 187
},
{
"id": "mp-1009005",
"created_at": "2022-09-04T14:41:57.667676Z",
"structure_string": "Ir1 N1\n1.0\n2.756920 0.000000 0.000000\n0.000000 2.756920 0.000000\n0.000000 0.000000 2.756920\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 16.342375311714466,
"density_atomic": 0.09544594972731445,
"volume": 20.95426789417389,
"volume_molar": 6.309477539073197,
"formula_full": "Ir1 N1",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
"energy": -14.17497978,
"energy_per_atom": -7.08748989,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.81397978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.636000Z",
"spacegroup": 221
},
{
"id": "mp-1025212",
"created_at": "2022-09-04T14:39:46.369650Z",
"structure_string": "In1 As1 Pt5\n1.0\n4.064999 0.000000 0.000000\n0.000000 4.064999 0.000000\n0.000000 0.000000 7.164796\nIn As Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.285077 Pt\n0.000000 0.500000 0.714923 Pt\n0.500000 0.000000 0.285077 Pt\n0.500000 0.000000 0.714923 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"In",
"As",
"Pt"
],
"chemical_system": "As-In-Pt",
"density": 16.34217284695465,
"density_atomic": 0.05912529551302211,
"volume": 118.3926429333157,
"volume_molar": 10.185388009897807,
"formula_full": "In1 As1 Pt5",
"formula_reduced": "InAsPt5",
"formula_anonymous": "ABC5",
"energy": -40.09803584,
"energy_per_atom": -5.728290834285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.09803584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.057000Z",
"spacegroup": 123
},
{
"id": "mp-1078155",
"created_at": "2022-09-04T14:42:08.654603Z",
"structure_string": "Sn1 P1 Pt5\n1.0\n3.995954 0.000000 0.000000\n0.000000 3.995954 0.000000\n0.000000 0.000000 7.160219\nSn P Pt\n1 1 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 P\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.700332 Pt\n0.000000 0.500000 0.700332 Pt\n0.500000 0.000000 0.299668 Pt\n0.000000 0.500000 0.299668 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sn",
"P",
"Pt"
],
"chemical_system": "P-Pt-Sn",
"density": 16.34084115413305,
"density_atomic": 0.06122527916736105,
"volume": 114.33185924502361,
"volume_molar": 9.836036424657706,
"formula_full": "Sn1 P1 Pt5",
"formula_reduced": "SnPPt5",
"formula_anonymous": "ABC5",
"energy": -42.41888026,
"energy_per_atom": -6.059840037142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.41888026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002242,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.103000Z",
"spacegroup": 123
},
{
"id": "mp-1207679",
"created_at": "2022-09-04T14:46:08.588526Z",
"structure_string": "Yb4 Ge6 Pt18\n1.0\n3.897911 6.716215 0.000000\n-3.897911 6.716215 0.000000\n0.000000 4.477203 9.006966\nYb Ge Pt\n4 6 18\ndirect\n0.415569 0.245099 0.750570 Yb\n0.584431 0.754901 0.249430 Yb\n0.754901 0.584431 0.749430 Yb\n0.245099 0.415569 0.250570 Yb\n0.500000 0.000000 0.500000 Ge\n0.000000 0.500000 0.000000 Ge\n0.639145 0.181461 0.997794 Ge\n0.360855 0.818539 0.002206 Ge\n0.818539 0.360855 0.502206 Ge\n0.181461 0.639145 0.497794 Ge\n0.294608 0.916159 0.757037 Pt\n0.705392 0.083841 0.242963 Pt\n0.083841 0.705392 0.742963 Pt\n0.916159 0.294608 0.257037 Pt\n0.477121 0.640942 0.577223 Pt\n0.522879 0.359058 0.422777 Pt\n0.359058 0.522879 0.922777 Pt\n0.640942 0.477121 0.077223 Pt\n0.866339 0.133661 0.750000 Pt\n0.133661 0.866339 0.250000 Pt\n0.805044 0.980193 0.568504 Pt\n0.194956 0.019807 0.431496 Pt\n0.019807 0.194956 0.931496 Pt\n0.980193 0.805044 0.068504 Pt\n0.694062 0.859299 0.922139 Pt\n0.305938 0.140701 0.077861 Pt\n0.140701 0.305938 0.577861 Pt\n0.859299 0.694062 0.422139 Pt\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-Yb",
"density": 16.3364004901076,
"density_atomic": 0.059373548173179684,
"volume": 471.59047861397994,
"volume_molar": 10.142800868889847,
"formula_full": "Yb4 Ge6 Pt18",
"formula_reduced": "Yb2(GePt3)3",
"formula_anonymous": "A2B3C9",
"energy": -163.06297816,
"energy_per_atom": -5.823677791428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.06297816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012563,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.634000Z",
"spacegroup": 15
},
{
"id": "mp-865998",
"created_at": "2022-09-04T14:48:30.466759Z",
"structure_string": "Hf1 Ga1 Ir2\n1.0\n0.000000 3.179861 3.179861\n3.179861 0.000000 3.179861\n3.179861 3.179861 0.000000\nHf Ga Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ga",
"Ir"
],
"chemical_system": "Ga-Hf-Ir",
"density": 16.336392000360316,
"density_atomic": 0.06220217730943532,
"volume": 64.30643062703929,
"volume_molar": 9.681559425230143,
"formula_full": "Hf1 Ga1 Ir2",
"formula_reduced": "HfGaIr2",
"formula_anonymous": "ABC2",
"energy": -33.55602625,
"energy_per_atom": -8.3890065625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.55602625,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6730572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:53.453000Z",
"spacegroup": 225
},
{
"id": "mp-1206308",
"created_at": "2022-09-04T14:48:07.463941Z",
"structure_string": "Si2 Ir4\n1.0\n2.097202 -3.632460 0.000000\n2.097202 3.632460 0.000000\n0.000000 0.000000 5.505188\nSi Ir\n2 4\ndirect\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n0.333333 0.666667 0.750000 Ir\n0.666667 0.333333 0.250000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 16.333540050556905,
"density_atomic": 0.07153325648427042,
"volume": 83.87707053878292,
"volume_molar": 8.418658755349997,
"formula_full": "Si2 Ir4",
"formula_reduced": "SiIr2",
"formula_anonymous": "AB2",
"energy": -48.19278321,
"energy_per_atom": -8.032130535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.19278321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.652000Z",
"spacegroup": 194
},
{
"id": "mp-1187642",
"created_at": "2022-09-04T14:43:17.035482Z",
"structure_string": "U3 Cd1\n1.0\n0.000000 3.476769 3.476769\n3.476769 0.000000 3.476769\n3.476769 3.476769 0.000000\nU Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 U\n0.750000 0.750000 0.750000 U\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Cd"
],
"chemical_system": "Cd-U",
"density": 16.328009968733962,
"density_atomic": 0.047588551463476965,
"volume": 84.05382969199853,
"volume_molar": 12.654599845557064,
"formula_full": "U3 Cd1",
"formula_reduced": "U3Cd",
"formula_anonymous": "AB3",
"energy": -32.84823311,
"energy_per_atom": -8.2120582775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.84823311,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.244000Z",
"spacegroup": 225
}
]
}