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_atomic&page=10234",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10232",
"results": [
{
"id": "mp-11214",
"created_at": "2022-09-04T14:45:25.330147Z",
"structure_string": "Ca4 Ag4 Sb4\n1.0\n4.625708 0.000000 0.000000\n0.000000 7.747458 0.000000\n0.000000 0.000000 8.525331\nCa Ag Sb\n4 4 4\ndirect\n0.750000 0.478838 0.806677 Ca\n0.250000 0.521162 0.193323 Ca\n0.250000 0.021162 0.306677 Ca\n0.750000 0.978838 0.693323 Ca\n0.750000 0.858465 0.064099 Ag\n0.750000 0.358465 0.435901 Ag\n0.250000 0.141535 0.935901 Ag\n0.250000 0.641535 0.564099 Ag\n0.750000 0.742387 0.385186 Sb\n0.250000 0.257613 0.614814 Sb\n0.750000 0.242387 0.114814 Sb\n0.250000 0.757613 0.885186 Sb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Sb"
],
"chemical_system": "Ag-Ca-Sb",
"density": 5.8634243253915725,
"density_atomic": 0.0392764793341628,
"volume": 305.5263659938676,
"volume_molar": 15.332689849219568,
"formula_full": "Ca4 Ag4 Sb4",
"formula_reduced": "CaAgSb",
"formula_anonymous": "ABC",
"energy": -44.99703199,
"energy_per_atom": -3.7497526658333338,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.22903199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.191000Z",
"spacegroup": 62
},
{
"id": "mp-1207453",
"created_at": "2022-09-04T14:44:13.935422Z",
"structure_string": "Zr8 W2\n1.0\n0.000000 5.030544 5.030544\n5.030544 0.000000 5.030544\n5.030544 5.030544 0.000000\nZr W\n8 2\ndirect\n0.394799 0.394799 0.394799 Zr\n0.394799 0.394799 0.815603 Zr\n0.394799 0.815603 0.394799 Zr\n0.855201 0.855201 0.434397 Zr\n0.855201 0.855201 0.855201 Zr\n0.815603 0.394799 0.394799 Zr\n0.855201 0.434397 0.855201 Zr\n0.434397 0.855201 0.855201 Zr\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 W\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"W"
],
"chemical_system": "W-Zr",
"density": 7.1576044576152045,
"density_atomic": 0.039275809827547366,
"volume": 254.60964506927047,
"volume_molar": 15.332951214607869,
"formula_full": "Zr8 W2",
"formula_reduced": "Zr4W",
"formula_anonymous": "AB4",
"energy": -83.57302575,
"energy_per_atom": -8.357302575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.57302575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0561437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.009000Z",
"spacegroup": 227
},
{
"id": "mp-1102055",
"created_at": "2022-09-04T14:41:33.006515Z",
"structure_string": "La4 As8\n1.0\n6.988269 0.000000 0.000000\n0.000000 4.238621 0.000000\n0.000000 3.136166 10.315206\nLa As\n4 8\ndirect\n0.314672 0.088554 0.138932 La\n0.814672 0.911446 0.361068 La\n0.685328 0.911446 0.861068 La\n0.185328 0.088554 0.638932 La\n0.647421 0.536863 0.171021 As\n0.147421 0.463137 0.328979 As\n0.352579 0.463137 0.828979 As\n0.852579 0.536863 0.671021 As\n0.376985 0.722581 0.449659 As\n0.876985 0.277419 0.050341 As\n0.623015 0.277419 0.550341 As\n0.123015 0.722581 0.949659 As\n",
"nsites": 12,
"nelements": 2,
"elements": [
"La",
"As"
],
"chemical_system": "As-La",
"density": 6.277070066085436,
"density_atomic": 0.03927436221065089,
"volume": 305.5428356961503,
"volume_molar": 15.33351637309808,
"formula_full": "La4 As8",
"formula_reduced": "LaAs2",
"formula_anonymous": "AB2",
"energy": -69.71893286,
"energy_per_atom": -5.809911071666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.71893286,
"band_gap": 0.1840000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041632,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.345000Z",
"spacegroup": 14
},
{
"id": "mp-31447",
"created_at": "2022-09-04T14:44:58.880015Z",
"structure_string": "Tb2 Ag2 Pb2\n1.0\n2.418385 -4.188765 0.000000\n2.418385 4.188765 0.000000\n0.000000 0.000000 7.540555\nTb Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.003397 Tb\n0.000000 0.000000 0.503397 Tb\n0.666667 0.333333 0.318288 Ag\n0.333333 0.666667 0.818288 Ag\n0.333333 0.666667 0.223515 Pb\n0.666667 0.333333 0.723515 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Ag",
"Pb"
],
"chemical_system": "Ag-Pb-Tb",
"density": 10.304022085368297,
"density_atomic": 0.03927412392869939,
"volume": 152.77234473499044,
"volume_molar": 15.33360940382262,
"formula_full": "Tb2 Ag2 Pb2",
"formula_reduced": "TbAgPb",
"formula_anonymous": "ABC",
"energy": -24.86283473,
"energy_per_atom": -4.143805788333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.86283473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003124,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.572000Z",
"spacegroup": 186
},
{
"id": "mp-676597",
"created_at": "2022-09-04T14:45:20.930264Z",
"structure_string": "Ba2 V2 Se6\n1.0\n3.551488 -6.073538 0.000000\n3.551488 6.073538 0.000000\n0.000000 0.000000 5.902194\nBa V Se\n2 2 6\ndirect\n0.663884 0.336116 0.754951 Ba\n0.336116 0.663884 0.254951 Ba\n0.974167 0.025833 0.013237 V\n0.025833 0.974167 0.513237 V\n0.329967 0.163445 0.243081 Se\n0.836555 0.670033 0.243081 Se\n0.829283 0.170717 0.274618 Se\n0.163445 0.329967 0.743081 Se\n0.670033 0.836555 0.743081 Se\n0.170717 0.829283 0.774618 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"V",
"Se"
],
"chemical_system": "Ba-Se-V",
"density": 5.545288729051739,
"density_atomic": 0.039273935216437905,
"volume": 254.6217980166793,
"volume_molar": 15.333683082207315,
"formula_full": "Ba2 V2 Se6",
"formula_reduced": "BaVSe3",
"formula_anonymous": "ABC3",
"energy": -57.92741587,
"energy_per_atom": -5.792741587,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.09541587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.768806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.767000Z",
"spacegroup": 36
},
{
"id": "mp-1186314",
"created_at": "2022-09-04T14:42:17.038064Z",
"structure_string": "Nd2 Hg6\n1.0\n3.392861 -5.876608 0.000000\n3.392861 5.876608 0.000000\n0.000000 0.000000 5.108232\nNd Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Nd\n0.666667 0.333333 0.250000 Nd\n0.835913 0.164087 0.750000 Hg\n0.328173 0.164087 0.750000 Hg\n0.835913 0.671827 0.750000 Hg\n0.164087 0.835913 0.250000 Hg\n0.671827 0.835913 0.250000 Hg\n0.164087 0.328173 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Hg"
],
"chemical_system": "Hg-Nd",
"density": 12.162742374967966,
"density_atomic": 0.03927322704459765,
"volume": 203.7011114700457,
"volume_molar": 15.333959578013323,
"formula_full": "Nd2 Hg6",
"formula_reduced": "NdHg3",
"formula_anonymous": "AB3",
"energy": -14.54686015,
"energy_per_atom": -1.81835751875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.54686015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.355000Z",
"spacegroup": 194
},
{
"id": "mp-675608",
"created_at": "2022-09-04T14:40:29.361754Z",
"structure_string": "Nb6 Cu4 Te12\n1.0\n6.996181 0.000000 0.000000\n-3.335738 -7.248896 0.000000\n-2.261759 0.271220 -11.045817\nNb Cu Te\n6 4 12\ndirect\n0.393898 0.017014 0.785899 Nb\n0.626519 0.751129 0.759625 Nb\n0.204109 0.586892 0.095589 Nb\n0.795891 0.413108 0.904411 Nb\n0.373481 0.248871 0.240375 Nb\n0.606102 0.982986 0.214101 Nb\n0.616923 0.894064 0.481498 Cu\n0.826607 0.119967 0.818387 Cu\n0.173393 0.880033 0.181613 Cu\n0.383077 0.105936 0.518502 Cu\n0.461220 0.181984 0.025773 Te\n0.555832 0.388018 0.679672 Te\n0.173303 0.425104 0.859042 Te\n0.035774 0.988477 0.343368 Te\n0.712577 0.233539 0.406532 Te\n0.040492 0.796690 0.902471 Te\n0.287423 0.766461 0.593468 Te\n0.959508 0.203310 0.097529 Te\n0.964226 0.011523 0.656632 Te\n0.826697 0.574896 0.140958 Te\n0.444168 0.611982 0.320328 Te\n0.538780 0.818016 0.974227 Te\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Cu",
"Te"
],
"chemical_system": "Cu-Nb-Te",
"density": 6.944767222109762,
"density_atomic": 0.03927280591558596,
"volume": 560.1840634276908,
"volume_molar": 15.334124006683284,
"formula_full": "Nb6 Cu4 Te12",
"formula_reduced": "Nb3(CuTe3)2",
"formula_anonymous": "A2B3C6",
"energy": -122.03578122,
"energy_per_atom": -5.547080964545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.97178122,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.403000Z",
"spacegroup": 2
},
{
"id": "mp-20360",
"created_at": "2022-09-04T14:48:01.561252Z",
"structure_string": "Pu1 In3\n1.0\n4.670066 0.000000 0.000000\n0.000000 4.670066 0.000000\n0.000000 0.000000 4.670066\nPu In\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"In"
],
"chemical_system": "In-Pu",
"density": 9.59384200037919,
"density_atomic": 0.03927271594751633,
"volume": 101.85188122322786,
"volume_molar": 15.33415913492698,
"formula_full": "Pu1 In3",
"formula_reduced": "PuIn3",
"formula_anonymous": "AB3",
"energy": -23.43881655,
"energy_per_atom": -5.8597041375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.43881655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9262671,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.641000Z",
"spacegroup": 221
},
{
"id": "mp-1105392",
"created_at": "2022-09-04T14:42:39.227953Z",
"structure_string": "Ce6 Bi8 Pt6\n1.0\n-5.030722 5.030722 5.030722\n5.030722 -5.030722 5.030722\n5.030722 5.030722 -5.030722\nCe Bi Pt\n6 8 6\ndirect\n0.625000 0.375000 0.250000 Ce\n0.875000 0.125000 0.750000 Ce\n0.375000 0.250000 0.625000 Ce\n0.125000 0.750000 0.875000 Ce\n0.250000 0.625000 0.375000 Ce\n0.750000 0.875000 0.125000 Ce\n0.178554 0.178554 0.178554 Bi\n0.321446 0.500000 0.000000 Bi\n0.000000 0.321446 0.500000 Bi\n0.678554 0.678554 0.678554 Bi\n0.500000 0.000000 0.321446 Bi\n0.821446 0.500000 0.000000 Bi\n0.500000 0.000000 0.821446 Bi\n0.000000 0.821446 0.500000 Bi\n0.125000 0.875000 0.250000 Pt\n0.375000 0.625000 0.750000 Pt\n0.875000 0.250000 0.125000 Pt\n0.625000 0.750000 0.375000 Pt\n0.250000 0.125000 0.875000 Pt\n0.750000 0.375000 0.625000 Pt\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ce",
"Bi",
"Pt"
],
"chemical_system": "Bi-Ce-Pt",
"density": 12.00894796486293,
"density_atomic": 0.03927164093481835,
"volume": 509.2733464638077,
"volume_molar": 15.334578888606492,
"formula_full": "Ce6 Bi8 Pt6",
"formula_reduced": "Ce3Bi4Pt3",
"formula_anonymous": "A3B3C4",
"energy": -120.34076323,
"energy_per_atom": -6.0170381614999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.34076323,
"band_gap": 0.2042000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.556000Z",
"spacegroup": 220
},
{
"id": "mp-567724",
"created_at": "2022-09-04T14:40:30.111850Z",
"structure_string": "Ta1 Se2\n1.0\n7.259579 -1.751454 0.000000\n7.259579 1.751454 0.000000\n6.837021 0.000000 3.004034\nTa Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.256555 0.256555 0.256555 Se\n0.743445 0.743445 0.743445 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"Se"
],
"chemical_system": "Se-Ta",
"density": 7.3660471169440696,
"density_atomic": 0.039271387360489005,
"volume": 76.39149522428902,
"volume_molar": 15.334677903584542,
"formula_full": "Ta1 Se2",
"formula_reduced": "TaSe2",
"formula_anonymous": "AB2",
"energy": -22.16007049,
"energy_per_atom": -7.386690163333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.21607049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0140538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.606000Z",
"spacegroup": 166
},
{
"id": "mp-1190756",
"created_at": "2022-09-04T14:42:29.626594Z",
"structure_string": "Lu16 In6 Co2\n1.0\n5.075099 -8.790329 0.000000\n5.075099 8.790329 0.000000\n0.000000 0.000000 6.849516\nLu In Co\n16 6 2\ndirect\n0.533396 0.066792 0.523057 Lu\n0.933208 0.466604 0.523057 Lu\n0.533396 0.466604 0.523057 Lu\n0.466604 0.933208 0.023057 Lu\n0.066792 0.533396 0.023057 Lu\n0.466604 0.533396 0.023057 Lu\n0.178875 0.357750 0.730988 Lu\n0.642250 0.821125 0.730988 Lu\n0.178875 0.821125 0.730988 Lu\n0.821125 0.642250 0.230988 Lu\n0.357750 0.178875 0.230988 Lu\n0.821125 0.178875 0.230988 Lu\n0.666667 0.333333 0.909078 Lu\n0.333333 0.666667 0.409078 Lu\n0.000000 0.000000 0.504910 Lu\n0.000000 0.000000 0.004910 Lu\n0.836485 0.672970 0.769072 In\n0.327030 0.163515 0.769072 In\n0.836485 0.163515 0.769072 In\n0.163515 0.327030 0.269072 In\n0.672970 0.836485 0.269072 In\n0.163515 0.836485 0.269072 In\n0.666667 0.333333 0.294501 Co\n0.333333 0.666667 0.794501 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Lu",
"In",
"Co"
],
"chemical_system": "Co-In-Lu",
"density": 9.798621106520304,
"density_atomic": 0.03927097765126205,
"volume": 611.1383376580825,
"volume_molar": 15.334837888372425,
"formula_full": "Lu16 In6 Co2",
"formula_reduced": "Lu8In3Co",
"formula_anonymous": "AB3C8",
"energy": -111.56217031,
"energy_per_atom": -4.648423762916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.56217031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.098000Z",
"spacegroup": 186
},
{
"id": "mp-863260",
"created_at": "2022-09-04T14:47:09.923697Z",
"structure_string": "Sr1 Mg2 As2\n1.0\n2.221272 -3.847357 0.000000\n2.221272 3.847357 0.000000\n0.000000 0.000000 7.449172\nSr Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.371578 Mg\n0.333333 0.666667 0.628422 Mg\n0.333333 0.666667 0.260884 As\n0.666667 0.333333 0.739116 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"As"
],
"chemical_system": "As-Mg-Sr",
"density": 3.7309896532121165,
"density_atomic": 0.03927062177357333,
"volume": 127.32164081406745,
"volume_molar": 15.334976855529503,
"formula_full": "Sr1 Mg2 As2",
"formula_reduced": "Sr(MgAs)2",
"formula_anonymous": "AB2C2",
"energy": -19.0119094,
"energy_per_atom": -3.80238188,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.0119094,
"band_gap": 1.3464000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.881000Z",
"spacegroup": 164
}
]
}