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=96",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=94",
"results": [
{
"id": "mp-1463",
"created_at": "2022-09-04T14:42:14.937805Z",
"structure_string": "La2 Ir4\n1.0\n0.000000 3.872105 3.872105\n3.872105 0.000000 3.872105\n3.872105 3.872105 0.000000\nLa Ir\n2 4\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 La\n0.125000 0.125000 0.125000 Ir\n0.625000 0.125000 0.125000 Ir\n0.125000 0.625000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Ir"
],
"chemical_system": "Ir-La",
"density": 14.968945631330852,
"density_atomic": 0.05167492773962587,
"volume": 116.1104671540551,
"volume_molar": 11.65389294851794,
"formula_full": "La2 Ir4",
"formula_reduced": "LaIr2",
"formula_anonymous": "AB2",
"energy": -49.65559546,
"energy_per_atom": -8.275932576666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.65559546,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.3e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.707000Z",
"spacegroup": 227
},
{
"id": "mp-1228956",
"created_at": "2022-09-04T14:44:11.521636Z",
"structure_string": "Al1 Au4\n1.0\n1.714097 2.424715 0.000000\n-1.714097 2.424715 0.000000\n0.000000 0.967191 10.875026\nAl Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.386944 0.386944 0.821947 Au\n0.801290 0.801290 0.605949 Au\n0.198710 0.198710 0.394051 Au\n0.613056 0.613056 0.178053 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 14.968187302681958,
"density_atomic": 0.055311267499806166,
"volume": 90.39749450720004,
"volume_molar": 10.88772872547371,
"formula_full": "Al1 Au4",
"formula_reduced": "AlAu4",
"formula_anonymous": "AB4",
"energy": -17.53703423,
"energy_per_atom": -3.507406846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.53703423,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.455000Z",
"spacegroup": 12
},
{
"id": "mp-1186385",
"created_at": "2022-09-04T14:46:53.063045Z",
"structure_string": "Pa3 Hg1\n1.0\n4.628743 0.000000 0.000000\n0.000000 4.628743 0.000000\n0.000000 0.000000 4.628743\nPa Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pa",
"Hg"
],
"chemical_system": "Hg-Pa",
"density": 14.964096621169164,
"density_atomic": 0.04033395287026302,
"volume": 99.1720303949945,
"volume_molar": 14.93069816234138,
"formula_full": "Pa3 Hg1",
"formula_reduced": "Pa3Hg",
"formula_anonymous": "AB3",
"energy": -28.24023419,
"energy_per_atom": -7.0600585475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.24023419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.764000Z",
"spacegroup": 221
},
{
"id": "mp-1186398",
"created_at": "2022-09-04T14:44:08.349825Z",
"structure_string": "Pa6 O2\n1.0\n6.141000 -0.000540 -0.001539\n-3.070965 5.316646 0.001880\n-0.001264 0.001059 4.821246\nPa O\n6 2\ndirect\n0.827830 0.172212 0.749847 Pa\n0.344074 0.171964 0.750057 Pa\n0.827981 0.655957 0.750068 Pa\n0.172262 0.827576 0.250138 Pa\n0.655613 0.827482 0.249958 Pa\n0.172304 0.344241 0.249930 Pa\n0.666678 0.333518 0.249988 O\n0.333256 0.667045 0.750013 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"O"
],
"chemical_system": "O-Pa",
"density": 14.961559507757851,
"density_atomic": 0.05082483308921651,
"volume": 157.40336984397018,
"volume_molar": 11.848815616234097,
"formula_full": "Pa6 O2",
"formula_reduced": "Pa3O",
"formula_anonymous": "AB3",
"energy": -68.55149555999999,
"energy_per_atom": -8.568936944999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.17749556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3959591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.275000Z",
"spacegroup": 194
},
{
"id": "mp-865088",
"created_at": "2022-09-04T14:42:20.179233Z",
"structure_string": "Mn1 Ga1 Ir2\n1.0\n0.000000 3.045731 3.045731\n3.045731 0.000000 3.045731\n3.045731 3.045731 0.000000\nMn Ga Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Mn",
"density": 14.9604046639603,
"density_atomic": 0.07078730278670371,
"volume": 56.50730911520671,
"volume_molar": 8.507374236515147,
"formula_full": "Mn1 Ga1 Ir2",
"formula_reduced": "MnGaIr2",
"formula_anonymous": "ABC2",
"energy": -31.28733342,
"energy_per_atom": -7.821833355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.28733342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0148311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.291000Z",
"spacegroup": 225
},
{
"id": "mp-1080381",
"created_at": "2022-09-04T14:48:01.951937Z",
"structure_string": "Sm1 B2 Ir3\n1.0\n2.758071 -4.777120 0.000000\n2.758071 4.777120 0.000000\n0.000000 0.000000 3.153729\nSm B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Sm\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.500000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sm",
"density": 14.95863979755754,
"density_atomic": 0.07219802050149553,
"volume": 83.10477154807471,
"volume_molar": 8.34114386816915,
"formula_full": "Sm1 B2 Ir3",
"formula_reduced": "SmB2Ir3",
"formula_anonymous": "AB2C3",
"energy": -48.58002004,
"energy_per_atom": -8.096670006666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.58002004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.51e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.845000Z",
"spacegroup": 191
},
{
"id": "mp-2498",
"created_at": "2022-09-04T14:39:06.764581Z",
"structure_string": "Pr2 Os4\n1.0\n0.000000 3.868295 3.868295\n3.868295 0.000000 3.868295\n3.868295 3.868295 0.000000\nPr Os\n2 4\ndirect\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Pr\n0.125000 0.625000 0.125000 Os\n0.125000 0.125000 0.625000 Os\n0.625000 0.125000 0.125000 Os\n0.125000 0.125000 0.125000 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Os"
],
"chemical_system": "Os-Pr",
"density": 14.9566530241698,
"density_atomic": 0.05182776674453633,
"volume": 115.76805980420752,
"volume_molar": 11.61952586088393,
"formula_full": "Pr2 Os4",
"formula_reduced": "PrOs2",
"formula_anonymous": "AB2",
"energy": -54.64634698,
"energy_per_atom": -9.107724496666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.64634698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.800000Z",
"spacegroup": 227
},
{
"id": "mp-1223816",
"created_at": "2022-09-04T14:40:04.433275Z",
"structure_string": "In1 Au3\n1.0\n1.580295 -2.737151 0.000000\n1.580295 2.737151 0.000000\n0.000000 0.000000 9.057575\nIn Au\n1 3\ndirect\n0.666667 0.333333 0.000000 In\n0.666667 0.333333 0.500000 Au\n0.333333 0.666667 0.248395 Au\n0.333333 0.666667 0.751605 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Au"
],
"chemical_system": "Au-In",
"density": 14.955510930311512,
"density_atomic": 0.0510482823927096,
"volume": 78.3571907322636,
"volume_molar": 11.796950803696472,
"formula_full": "In1 Au3",
"formula_reduced": "InAu3",
"formula_anonymous": "AB3",
"energy": -12.5163273,
"energy_per_atom": -3.129081825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.5163273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.971000Z",
"spacegroup": 187
},
{
"id": "mp-1185512",
"created_at": "2022-09-04T14:43:48.447819Z",
"structure_string": "Lu1 Cd1 Pt2\n1.0\n0.000000 3.350719 3.350719\n3.350719 0.000000 3.350719\n3.350719 3.350719 0.000000\nLu Cd Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Cd",
"Pt"
],
"chemical_system": "Cd-Lu-Pt",
"density": 14.953534691656733,
"density_atomic": 0.053163794519527935,
"volume": 75.23917425665947,
"volume_molar": 11.327522450994294,
"formula_full": "Lu1 Cd1 Pt2",
"formula_reduced": "LuCdPt2",
"formula_anonymous": "ABC2",
"energy": -21.06238982,
"energy_per_atom": -5.265597455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.06238982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.994000Z",
"spacegroup": 225
},
{
"id": "mp-984353",
"created_at": "2022-09-04T14:46:25.624524Z",
"structure_string": "As2 Au6\n1.0\n2.979493 -5.160632 0.000000\n2.979493 5.160632 0.000000\n0.000000 0.000000 4.808907\nAs Au\n2 6\ndirect\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n0.166832 0.333664 0.250000 Au\n0.666336 0.833168 0.250000 Au\n0.166832 0.833168 0.250000 Au\n0.833168 0.666336 0.750000 Au\n0.333664 0.166832 0.750000 Au\n0.833168 0.166832 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"As",
"Au"
],
"chemical_system": "As-Au",
"density": 14.952546017377347,
"density_atomic": 0.054096398490979435,
"volume": 147.88415168403492,
"volume_molar": 11.132239720180618,
"formula_full": "As2 Au6",
"formula_reduced": "AsAu3",
"formula_anonymous": "AB3",
"energy": -27.75542277,
"energy_per_atom": -3.46942784625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.75542277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.707000Z",
"spacegroup": 194
},
{
"id": "mp-1425201",
"created_at": "2022-09-04T14:40:13.498174Z",
"structure_string": "Ta12 S2\n1.0\n5.281593 0.000000 0.000000\n-2.471298 7.159407 0.000000\n-1.108135 -3.619407 6.566075\nTa S\n12 2\ndirect\n0.967642 0.184671 0.590434 Ta\n0.032358 0.815329 0.409566 Ta\n0.707539 0.076475 0.295208 Ta\n0.500000 0.000000 0.000000 Ta\n0.999102 0.570719 0.150315 Ta\n0.536855 0.372439 0.691924 Ta\n0.664596 0.711950 0.863203 Ta\n0.463145 0.627561 0.308076 Ta\n0.000898 0.429281 0.849685 Ta\n0.292461 0.923525 0.704792 Ta\n0.000000 0.000000 0.000000 Ta\n0.335404 0.288050 0.136797 Ta\n0.490285 0.715030 0.584593 S\n0.509715 0.284970 0.415407 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 14.951226991586685,
"density_atomic": 0.05638715892971667,
"volume": 248.28347917741678,
"volume_molar": 10.679986142778093,
"formula_full": "Ta12 S2",
"formula_reduced": "Ta6S",
"formula_anonymous": "AB6",
"energy": -97.53893842,
"energy_per_atom": -6.96706703,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.53293842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.022000Z",
"spacegroup": 2
},
{
"id": "mp-558552",
"created_at": "2022-09-04T14:44:00.845907Z",
"structure_string": "Ta12 S2\n1.0\n5.224710 0.004216 -0.773057\n-2.955511 6.267934 -3.056530\n0.001204 -0.000836 7.579011\nTa S\n12 2\ndirect\n0.558076 0.775105 0.590434 Ta\n0.441924 0.224895 0.409566 Ta\n0.002747 0.371683 0.295208 Ta\n0.500000 0.000000 0.000000 Ta\n0.149416 0.721034 0.150315 Ta\n0.228779 0.064362 0.691924 Ta\n0.527799 0.575152 0.863203 Ta\n0.771221 0.935638 0.308076 Ta\n0.850584 0.278966 0.849685 Ta\n0.997253 0.628317 0.704792 Ta\n0.000000 0.000000 0.000000 Ta\n0.472201 0.424848 0.136797 Ta\n0.074879 0.299623 0.584593 S\n0.925121 0.700377 0.415407 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 14.95122636429761,
"density_atomic": 0.056387156563954405,
"volume": 248.28348959432236,
"volume_molar": 10.679986590864319,
"formula_full": "Ta12 S2",
"formula_reduced": "Ta6S",
"formula_anonymous": "AB6",
"energy": -155.2664142,
"energy_per_atom": -11.090458157142859,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.2604142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013064,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.425000Z",
"spacegroup": 2
}
]
}