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=1774",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=1772",
"results": [
{
"id": "mp-1087478",
"created_at": "2022-09-04T14:45:36.361155Z",
"structure_string": "Dy2 Ni2 Ge6\n1.0\n2.057929 -10.791103 0.000000\n2.057929 10.791103 0.000000\n0.000000 0.000000 4.097796\nDy Ni Ge\n2 2 6\ndirect\n0.168854 0.831146 0.500000 Dy\n0.831146 0.168854 0.500000 Dy\n0.389878 0.610122 0.000000 Ni\n0.610122 0.389878 0.000000 Ni\n0.283526 0.716474 0.000000 Ge\n0.716474 0.283526 0.000000 Ge\n0.442638 0.557362 0.500000 Ge\n0.557362 0.442638 0.500000 Ge\n0.057486 0.942514 0.000000 Ge\n0.942514 0.057486 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"Ni",
"Ge"
],
"chemical_system": "Dy-Ge-Ni",
"density": 8.012706377117071,
"density_atomic": 0.05494440125059275,
"volume": 182.00216532329793,
"volume_molar": 10.960426582016911,
"formula_full": "Dy2 Ni2 Ge6",
"formula_reduced": "DyNiGe3",
"formula_anonymous": "ABC3",
"energy": -54.25866614,
"energy_per_atom": -5.425866614,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.25866614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008561,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.409000Z",
"spacegroup": 65
},
{
"id": "mp-1103113",
"created_at": "2022-09-04T14:43:09.616333Z",
"structure_string": "Nd2 In8 Ni2\n1.0\n2.254593 -8.389799 0.000000\n2.254593 8.389799 0.000000\n0.000000 0.000000 7.255214\nNd In Ni\n2 8 2\ndirect\n0.881300 0.118700 0.750000 Nd\n0.118700 0.881300 0.250000 Nd\n0.500000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.074552 0.925448 0.750000 In\n0.925448 0.074552 0.250000 In\n0.688193 0.311807 0.952242 In\n0.311807 0.688193 0.047758 In\n0.688193 0.311807 0.547758 In\n0.311807 0.688193 0.452242 In\n0.226513 0.773487 0.750000 Ni\n0.773487 0.226513 0.250000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"In",
"Ni"
],
"chemical_system": "In-Nd-Ni",
"density": 8.01259496057301,
"density_atomic": 0.04372011673875512,
"volume": 274.473192093807,
"volume_molar": 13.774301646961872,
"formula_full": "Nd2 In8 Ni2",
"formula_reduced": "NdIn4Ni",
"formula_anonymous": "ABC4",
"energy": -47.37609305,
"energy_per_atom": -3.948007754166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.37609305,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004797,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.832000Z",
"spacegroup": 63
},
{
"id": "mp-867297",
"created_at": "2022-09-04T14:41:06.523244Z",
"structure_string": "Ac2 In6\n1.0\n3.608194 -6.249576 0.000000\n3.608194 6.249576 0.000000\n0.000000 0.000000 5.251918\nAc In\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.149322 0.298644 0.250000 In\n0.701356 0.850678 0.250000 In\n0.149322 0.850678 0.250000 In\n0.850678 0.701356 0.750000 In\n0.298644 0.149322 0.750000 In\n0.850678 0.149322 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"In"
],
"chemical_system": "Ac-In",
"density": 8.012573086796971,
"density_atomic": 0.03377548708743256,
"volume": 236.85816815286435,
"volume_molar": 17.82991535965373,
"formula_full": "Ac2 In6",
"formula_reduced": "AcIn3",
"formula_anonymous": "AB3",
"energy": -28.01234011,
"energy_per_atom": -3.50154251375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.01234011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.453000Z",
"spacegroup": 194
},
{
"id": "mp-1188126",
"created_at": "2022-09-04T14:48:24.494374Z",
"structure_string": "Pr2 Al2 Co15\n1.0\n4.789740 -4.203872 0.000000\n4.789740 4.203872 0.000000\n1.100076 0.000000 6.277259\nPr Al Co\n2 2 15\ndirect\n0.647929 0.647929 0.647929 Pr\n0.352071 0.352071 0.352071 Pr\n0.895141 0.895141 0.895141 Al\n0.104859 0.104859 0.104859 Al\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.716643 0.283357 0.000000 Co\n0.000000 0.716643 0.283357 Co\n0.283357 0.000000 0.716643 Co\n0.000000 0.283357 0.716643 Co\n0.716643 0.000000 0.283357 Co\n0.283357 0.716643 0.000000 Co\n0.346319 0.346319 0.853107 Co\n0.853107 0.346319 0.346319 Co\n0.346319 0.853107 0.346319 Co\n0.653681 0.653681 0.146893 Co\n0.146893 0.653681 0.653681 Co\n0.653681 0.146893 0.653681 Co\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Co"
],
"chemical_system": "Al-Co-Pr",
"density": 8.012495929908177,
"density_atomic": 0.07516092802517421,
"volume": 252.79091809026346,
"volume_molar": 8.012328903101036,
"formula_full": "Pr2 Al2 Co15",
"formula_reduced": "Pr2Al2Co15",
"formula_anonymous": "A2B2C15",
"energy": -125.85271235,
"energy_per_atom": -6.6238269657894735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.85271235,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.3991927,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:35.145000Z",
"spacegroup": 166
},
{
"id": "mp-1219271",
"created_at": "2022-09-04T14:45:17.587129Z",
"structure_string": "Sm2 Fe15 Co2\n1.0\n4.254374 4.837793 0.000000\n-4.254374 4.837793 0.000000\n0.000000 1.127306 6.324824\nSm Fe Co\n2 15 2\ndirect\n0.341344 0.341344 0.342281 Sm\n0.658796 0.658796 0.658373 Sm\n0.998950 0.705688 0.293462 Fe\n0.710700 0.290406 0.999988 Fe\n0.292315 0.001057 0.706809 Fe\n0.290406 0.710700 0.999988 Fe\n0.705688 0.998950 0.293462 Fe\n0.001057 0.292315 0.706809 Fe\n0.498972 0.001411 0.000087 Fe\n0.999595 0.999595 0.500363 Fe\n0.001411 0.498972 0.000087 Fe\n0.095589 0.095589 0.096488 Fe\n0.903617 0.903617 0.905255 Fe\n0.658137 0.658137 0.153965 Fe\n0.341280 0.841242 0.342301 Fe\n0.841242 0.341280 0.342301 Fe\n0.343665 0.343665 0.838982 Fe\n0.661065 0.156171 0.659498 Co\n0.156171 0.661065 0.659498 Co\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Sm",
"density": 8.012494077879564,
"density_atomic": 0.072978042941709,
"volume": 260.35228178393595,
"volume_molar": 8.251989937316033,
"formula_full": "Sm2 Fe15 Co2",
"formula_reduced": "Sm2Fe15Co2",
"formula_anonymous": "A2B2C15",
"energy": -150.78922659,
"energy_per_atom": -7.936275083684211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.78922659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 38.156977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.438000Z",
"spacegroup": 8
},
{
"id": "mp-1186561",
"created_at": "2022-09-04T14:39:17.391808Z",
"structure_string": "Pm2 Cd6\n1.0\n3.379365 -5.853233 0.000000\n3.379365 5.853233 0.000000\n0.000000 0.000000 5.052563\nPm Cd\n2 6\ndirect\n0.666667 0.333333 0.250000 Pm\n0.333333 0.666667 0.750000 Pm\n0.838709 0.161291 0.750000 Cd\n0.322582 0.161291 0.750000 Cd\n0.838709 0.677418 0.750000 Cd\n0.161291 0.838709 0.250000 Cd\n0.677418 0.838709 0.250000 Cd\n0.161291 0.322582 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Cd"
],
"chemical_system": "Cd-Pm",
"density": 8.012413838707525,
"density_atomic": 0.040023709684524685,
"volume": 199.8815218043926,
"volume_molar": 15.046433245363268,
"formula_full": "Pm2 Cd6",
"formula_reduced": "PmCd3",
"formula_anonymous": "AB3",
"energy": -17.45102329,
"energy_per_atom": -2.18137791125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.45102329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.760000Z",
"spacegroup": 194
},
{
"id": "mp-975729",
"created_at": "2022-09-04T14:42:41.658121Z",
"structure_string": "Pr2 B4 Ru4\n1.0\n0.000000 4.596282 5.032287\n3.267512 0.000000 5.032287\n3.267512 4.596282 0.000000\nPr B Ru\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Pr\n0.681476 0.318524 0.681476 B\n0.318524 0.681476 0.318524 B\n0.931476 0.568524 0.931476 B\n0.568524 0.931476 0.568524 B\n0.613455 0.613455 0.886545 Ru\n0.636545 0.636545 0.363454 Ru\n0.363454 0.363455 0.636545 Ru\n0.886546 0.886545 0.613454 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"B",
"Ru"
],
"chemical_system": "B-Pr-Ru",
"density": 8.01234162642761,
"density_atomic": 0.06615775278835113,
"volume": 151.15386449100748,
"volume_molar": 9.102698483828128,
"formula_full": "Pr2 B4 Ru4",
"formula_reduced": "Pr(BRu)2",
"formula_anonymous": "AB2C2",
"energy": -78.35725159,
"energy_per_atom": -7.835725159000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.35725159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010736,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.125000Z",
"spacegroup": 70
},
{
"id": "mp-1204970",
"created_at": "2022-09-04T14:44:02.532357Z",
"structure_string": "Yb26 Zn116\n1.0\n0.000000 0.000000 -13.984606\n-7.190817 -12.454786 -0.000000\n-7.190817 12.454786 0.000000\nYb Zn\n26 116\ndirect\n0.500000 -0.000000 -0.000000 Yb\n-0.000000 -0.000000 -0.000000 Yb\n0.750000 0.455769 0.911539 Yb\n0.750000 0.455772 0.544228 Yb\n0.750000 0.088461 0.544231 Yb\n0.250000 0.544231 0.088461 Yb\n0.250000 0.544228 0.455772 Yb\n0.250000 0.911539 0.455769 Yb\n0.750000 0.124122 0.248242 Yb\n0.750000 0.124118 0.875882 Yb\n0.750000 0.751758 0.875878 Yb\n0.250000 0.875878 0.751758 Yb\n0.250000 0.875882 0.124118 Yb\n0.250000 0.248242 0.124122 Yb\n0.553465 0.793070 0.586141 Yb\n0.553465 0.793070 0.206930 Yb\n0.553465 0.413859 0.206930 Yb\n0.446535 0.206930 0.413859 Yb\n0.446535 0.206930 0.793070 Yb\n0.446535 0.586141 0.793070 Yb\n0.053465 0.206930 0.413859 Yb\n0.053465 0.206930 0.793070 Yb\n0.053465 0.586141 0.793070 Yb\n0.946535 0.793070 0.586141 Yb\n0.946535 0.793070 0.206930 Yb\n0.946535 0.413859 0.206930 Yb\n0.750000 0.999999 0.000001 Zn\n0.250000 0.000001 0.999999 Zn\n0.250000 0.666666 0.333334 Zn\n0.750000 0.333334 0.666666 Zn\n0.594961 0.666667 0.333333 Zn\n0.405039 0.333333 0.666667 Zn\n0.094961 0.333333 0.666667 Zn\n0.905039 0.666667 0.333333 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n-0.000000 0.500000 0.500000 Zn\n-0.000000 -0.000000 0.500000 Zn\n0.750000 0.729851 0.459698 Zn\n0.750000 0.729850 0.270150 Zn\n0.750000 0.540302 0.270149 Zn\n0.250000 0.270149 0.540302 Zn\n0.250000 0.270150 0.729850 Zn\n0.250000 0.459698 0.729851 Zn\n0.500000 0.800508 1.000000 Zn\n0.500000 0.199495 0.199495 Zn\n0.500000 1.000000 0.800508 Zn\n0.500000 0.199492 0.000000 Zn\n0.500000 0.000000 0.199492 Zn\n0.500000 0.800505 0.800505 Zn\n1.000000 0.199492 0.000000 Zn\n-0.000000 0.800505 0.800505 Zn\n0.000000 0.000000 0.199492 Zn\n0.000000 0.800508 1.000000 Zn\n1.000000 1.000000 0.800508 Zn\n-0.000000 0.199495 0.199495 Zn\n0.750000 0.913582 0.634575 Zn\n0.750000 0.720995 0.086417 Zn\n0.750000 0.365428 0.279009 Zn\n0.750000 0.720991 0.634572 Zn\n0.750000 0.365425 0.086418 Zn\n0.750000 0.913583 0.279005 Zn\n0.250000 0.086418 0.365425 Zn\n0.250000 0.279005 0.913583 Zn\n0.250000 0.634572 0.720991 Zn\n0.250000 0.279009 0.365428 Zn\n0.250000 0.634575 0.913582 Zn\n0.250000 0.086417 0.720995 Zn\n0.659248 0.900662 0.801326 Zn\n0.659248 0.900664 0.099336 Zn\n0.659248 0.198674 0.099338 Zn\n0.340752 0.099338 0.198674 Zn\n0.340752 0.099336 0.900664 Zn\n0.340752 0.801326 0.900662 Zn\n0.159248 0.099338 0.198674 Zn\n0.159248 0.099336 0.900664 Zn\n0.159248 0.801326 0.900662 Zn\n0.840752 0.900662 0.801326 Zn\n0.840752 0.900664 0.099336 Zn\n0.840752 0.198674 0.099338 Zn\n0.145742 0.436639 0.873281 Zn\n0.145742 0.436643 0.563357 Zn\n0.145742 0.126719 0.563361 Zn\n0.854258 0.563361 0.126719 Zn\n0.854258 0.563357 0.436643 Zn\n0.854258 0.873281 0.436639 Zn\n0.645742 0.563361 0.126719 Zn\n0.645742 0.563357 0.436643 Zn\n0.645742 0.873281 0.436639 Zn\n0.354258 0.436639 0.873281 Zn\n0.354258 0.436643 0.563357 Zn\n0.354258 0.126719 0.563361 Zn\n0.552331 0.398374 0.796754 Zn\n0.552334 0.398377 0.601623 Zn\n0.552331 0.203246 0.601626 Zn\n0.447669 0.601626 0.203246 Zn\n0.447666 0.601623 0.398377 Zn\n0.447669 0.796754 0.398374 Zn\n0.052331 0.601626 0.203246 Zn\n0.052334 0.601623 0.398377 Zn\n0.052331 0.796754 0.398374 Zn\n0.947669 0.398374 0.796754 Zn\n0.947666 0.398377 0.601623 Zn\n0.947669 0.203246 0.601626 Zn\n0.160652 0.764101 0.528201 Zn\n0.160655 0.764102 0.235898 Zn\n0.160652 0.471799 0.235899 Zn\n0.839348 0.235899 0.471799 Zn\n0.839345 0.235898 0.764102 Zn\n0.839348 0.528201 0.764101 Zn\n0.660652 0.235899 0.471799 Zn\n0.660655 0.235898 0.764102 Zn\n0.660652 0.528201 0.764101 Zn\n0.339348 0.764101 0.528201 Zn\n0.339345 0.764102 0.235898 Zn\n0.339348 0.471799 0.235899 Zn\n0.604254 0.634437 0.963974 Zn\n0.604254 0.329536 0.365562 Zn\n0.604254 0.036023 0.670462 Zn\n0.604254 0.329538 0.963977 Zn\n0.604254 0.036026 0.365563 Zn\n0.604254 0.634438 0.670464 Zn\n0.395746 0.365563 0.036026 Zn\n0.395746 0.670464 0.634438 Zn\n0.395746 0.963977 0.329538 Zn\n0.395746 0.670462 0.036023 Zn\n0.395746 0.963974 0.634437 Zn\n0.395746 0.365562 0.329536 Zn\n0.104254 0.365563 0.036026 Zn\n0.104254 0.670464 0.634438 Zn\n0.104254 0.963977 0.329538 Zn\n0.104254 0.670462 0.036023 Zn\n0.104254 0.963974 0.634437 Zn\n0.104254 0.365562 0.329536 Zn\n0.895746 0.634437 0.963974 Zn\n0.895746 0.329536 0.365562 Zn\n0.895746 0.036023 0.670462 Zn\n0.895746 0.329538 0.963977 Zn\n0.895746 0.036026 0.365563 Zn\n0.895746 0.634438 0.670464 Zn\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 8.012247233407093,
"density_atomic": 0.056688322706127794,
"volume": 2504.9250572490537,
"volume_molar": 10.623247385918916,
"formula_full": "Yb26 Zn116",
"formula_reduced": "Yb13Zn58",
"formula_anonymous": "A13B58",
"energy": -226.78686732,
"energy_per_atom": -1.5970906149295774,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.78686732,
"band_gap": 0.0762,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013892,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.725000Z",
"spacegroup": 194
},
{
"id": "mp-1205516",
"created_at": "2022-09-04T14:42:48.462410Z",
"structure_string": "Er4 Mg2 Ni4\n1.0\n7.261426 0.000000 0.000000\n0.000000 7.261426 0.000000\n0.000000 0.000000 3.743529\nEr Mg Ni\n4 2 4\ndirect\n0.673833 0.173833 0.500000 Er\n0.326167 0.826167 0.500000 Er\n0.173833 0.326167 0.500000 Er\n0.826167 0.673833 0.500000 Er\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.119733 0.619733 0.000000 Ni\n0.880267 0.380267 0.000000 Ni\n0.619733 0.880267 0.000000 Ni\n0.380267 0.119733 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Ni"
],
"chemical_system": "Er-Mg-Ni",
"density": 8.012211189250785,
"density_atomic": 0.05066114094794944,
"volume": 197.38994844735646,
"volume_molar": 11.887100541591241,
"formula_full": "Er4 Mg2 Ni4",
"formula_reduced": "Er2MgNi2",
"formula_anonymous": "AB2C2",
"energy": -48.58445565,
"energy_per_atom": -4.858445565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.58445565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047918,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.535000Z",
"spacegroup": 127
},
{
"id": "mp-1213140",
"created_at": "2022-09-04T14:41:33.838410Z",
"structure_string": "Er4 B28 Mo12\n1.0\n0.000000 -3.104261 0.000000\n-11.021901 0.000000 0.000000\n0.000000 0.000000 -12.859922\nEr B Mo\n4 28 12\ndirect\n0.750000 0.551805 0.308008 Er\n0.250000 0.448195 0.691992 Er\n0.250000 0.948195 0.808008 Er\n0.750000 0.051805 0.191992 Er\n0.750000 0.749882 0.173716 B\n0.250000 0.250118 0.826284 B\n0.250000 0.750118 0.673716 B\n0.750000 0.249882 0.326284 B\n0.750000 0.932383 0.383840 B\n0.250000 0.067617 0.616160 B\n0.250000 0.567617 0.883840 B\n0.750000 0.432383 0.116160 B\n0.750000 0.989307 0.638152 B\n0.250000 0.010693 0.361848 B\n0.250000 0.510693 0.138152 B\n0.750000 0.489307 0.861848 B\n0.750000 0.769239 0.417930 B\n0.250000 0.230761 0.582070 B\n0.250000 0.730761 0.917930 B\n0.750000 0.269239 0.082070 B\n0.750000 0.962732 0.981615 B\n0.250000 0.037268 0.018385 B\n0.250000 0.537268 0.481615 B\n0.750000 0.462732 0.518385 B\n0.750000 0.813740 0.933029 B\n0.250000 0.186260 0.066971 B\n0.250000 0.686260 0.433029 B\n0.750000 0.313740 0.566971 B\n0.750000 0.834376 0.667667 B\n0.250000 0.165624 0.332333 B\n0.250000 0.665624 0.167667 B\n0.750000 0.334376 0.832333 B\n0.750000 0.117926 0.473086 Mo\n0.250000 0.882074 0.526914 Mo\n0.250000 0.382074 0.973086 Mo\n0.750000 0.617926 0.026914 Mo\n0.750000 0.659135 0.564198 Mo\n0.250000 0.340865 0.435802 Mo\n0.250000 0.840865 0.064198 Mo\n0.750000 0.159135 0.935802 Mo\n0.750000 0.684621 0.798138 Mo\n0.250000 0.315379 0.201862 Mo\n0.250000 0.815379 0.298138 Mo\n0.750000 0.184621 0.701862 Mo\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Er",
"B",
"Mo"
],
"chemical_system": "B-Er-Mo",
"density": 8.012184329929523,
"density_atomic": 0.09999990962181084,
"volume": 440.0003976643917,
"volume_molar": 6.022146202706686,
"formula_full": "Er4 B28 Mo12",
"formula_reduced": "ErB7Mo3",
"formula_anonymous": "AB3C7",
"energy": -360.33129181,
"energy_per_atom": -8.189347541136364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.33129181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007858,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.129000Z",
"spacegroup": 62
},
{
"id": "mp-12636",
"created_at": "2022-09-04T14:40:29.437143Z",
"structure_string": "P4 Ru4\n1.0\n3.179219 0.000000 0.000000\n0.000000 5.557424 0.000000\n0.000000 0.000000 6.195589\nP Ru\n4 4\ndirect\n0.250000 0.690067 0.064727 P\n0.750000 0.309933 0.935273 P\n0.250000 0.190067 0.435273 P\n0.750000 0.809933 0.564727 P\n0.250000 0.490547 0.706966 Ru\n0.750000 0.509453 0.293034 Ru\n0.250000 0.990547 0.793034 Ru\n0.750000 0.009453 0.206965 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"P",
"Ru"
],
"chemical_system": "P-Ru",
"density": 8.012174518486303,
"density_atomic": 0.07308250239141788,
"volume": 109.46532669548334,
"volume_molar": 8.24019507124483,
"formula_full": "P4 Ru4",
"formula_reduced": "PRu",
"formula_anonymous": "AB",
"energy": -63.25174324,
"energy_per_atom": -7.906467905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.25174324,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.56e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.521000Z",
"spacegroup": 62
},
{
"id": "mp-637427",
"created_at": "2022-09-04T14:44:23.602290Z",
"structure_string": "Pr10 In20 Pd10\n1.0\n-7.187671 7.187671 4.783541\n7.187671 -7.187671 4.783541\n7.187671 7.187671 -4.783541\nPr In Pd\n10 20 10\ndirect\n0.987251 0.987251 0.000000 Pr\n0.382267 0.101683 0.719416 Pr\n0.072728 0.665923 0.000000 Pr\n0.457807 0.457807 0.000000 Pr\n0.382267 0.662851 0.280584 Pr\n0.665923 0.665923 0.593195 Pr\n0.662851 0.382267 0.280584 Pr\n0.072728 0.072728 0.406805 Pr\n0.665923 0.072728 0.000000 Pr\n0.101683 0.382267 0.719416 Pr\n0.979323 0.766372 0.505999 In\n0.713556 0.546071 0.832515 In\n0.766372 0.979323 0.505999 In\n0.079850 0.346774 0.000000 In\n0.346774 0.346774 0.266924 In\n0.859766 0.243033 0.383267 In\n0.476500 0.859766 0.616733 In\n0.473324 0.260373 0.494001 In\n0.859766 0.476500 0.616733 In\n0.346774 0.079850 0.000000 In\n0.546071 0.713556 0.832515 In\n0.243033 0.859766 0.383267 In\n0.260373 0.473324 0.494001 In\n0.881042 0.713556 0.167485 In\n0.713556 0.881042 0.167485 In\n0.766372 0.260373 0.787049 In\n0.979323 0.473324 0.212951 In\n0.079850 0.079850 0.733076 In\n0.473324 0.979323 0.212951 In\n0.260373 0.766372 0.787049 In\n0.023507 0.241589 0.218082 Pd\n0.805425 0.023507 0.781918 Pd\n0.612369 0.112369 0.500000 Pd\n0.023507 0.805425 0.781918 Pd\n0.112369 0.612369 0.500000 Pd\n0.371004 0.691158 0.000000 Pd\n0.691158 0.371004 0.000000 Pd\n0.241589 0.023507 0.218082 Pd\n0.371004 0.371004 0.679846 Pd\n0.691158 0.691158 0.320154 Pd\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Pr",
"In",
"Pd"
],
"chemical_system": "In-Pd-Pr",
"density": 8.012139599526868,
"density_atomic": 0.040464494494534396,
"volume": 988.5209366795095,
"volume_molar": 14.882530562227634,
"formula_full": "Pr10 In20 Pd10",
"formula_reduced": "PrIn2Pd",
"formula_anonymous": "ABC2",
"energy": -180.05388961,
"energy_per_atom": -4.50134724025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.05388961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006902,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.815000Z",
"spacegroup": 107
}
]
}