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=-formula_reduced&page=10121",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10119",
"results": [
{
"id": "mp-1042757",
"created_at": "2022-09-04T14:45:54.917483Z",
"structure_string": "Cr4 As8 O28\n1.0\n9.016611 0.000000 0.000000\n0.000000 7.057913 0.000000\n0.000000 2.607763 9.046450\nCr As O\n4 8 28\ndirect\n0.923123 0.195348 0.712240 Cr\n0.423123 0.804652 0.787760 Cr\n0.076877 0.804652 0.287760 Cr\n0.576877 0.195348 0.212240 Cr\n0.749683 0.585080 0.764424 As\n0.249683 0.414920 0.735576 As\n0.250317 0.414920 0.235576 As\n0.750317 0.585080 0.264424 As\n0.700424 0.974636 0.961646 As\n0.200424 0.025364 0.538354 As\n0.299576 0.025364 0.038354 As\n0.799576 0.974636 0.461646 As\n0.675350 0.163380 0.046125 O\n0.175350 0.836620 0.453875 O\n0.324650 0.836620 0.953875 O\n0.824650 0.163380 0.546125 O\n0.553651 0.622107 0.758500 O\n0.053651 0.377893 0.741500 O\n0.446349 0.377893 0.241500 O\n0.946349 0.622107 0.258500 O\n0.834973 0.623842 0.907226 O\n0.334973 0.376158 0.592774 O\n0.165027 0.376158 0.092774 O\n0.665027 0.623842 0.407226 O\n0.827802 0.756463 0.599436 O\n0.327802 0.243537 0.900564 O\n0.172198 0.243537 0.400564 O\n0.672198 0.756463 0.099436 O\n0.916941 0.980731 0.320011 O\n0.416941 0.019269 0.179989 O\n0.083059 0.019269 0.679989 O\n0.583059 0.980731 0.820011 O\n0.743546 0.361515 0.225797 O\n0.243546 0.638485 0.274203 O\n0.256454 0.638485 0.774203 O\n0.756454 0.361515 0.725797 O\n0.619818 0.014121 0.388344 O\n0.119818 0.985879 0.111656 O\n0.380182 0.985879 0.611656 O\n0.880182 0.014121 0.888344 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Cr",
"As",
"O"
],
"chemical_system": "As-Cr-O",
"density": 3.620868742859944,
"density_atomic": 0.06948037759486528,
"volume": 575.7021102164545,
"volume_molar": 8.667397858881309,
"formula_full": "Cr4 As8 O28",
"formula_reduced": "CrAs2O7",
"formula_anonymous": "AB2C7",
"energy": -278.2543326,
"energy_per_atom": -6.956358315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.0223326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9997828,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.769000Z",
"spacegroup": 14
},
{
"id": "mp-15681",
"created_at": "2022-09-04T14:47:20.313927Z",
"structure_string": "Cr2 As4\n1.0\n1.613278 4.460952 0.000000\n-1.613278 4.460952 0.000000\n0.000000 3.698608 6.439815\nCr As\n2 4\ndirect\n0.847111 0.847111 0.699790 Cr\n0.152889 0.152889 0.300210 Cr\n0.596314 0.596314 0.605466 As\n0.403686 0.403686 0.394534 As\n0.150226 0.150226 0.963090 As\n0.849774 0.849774 0.036910 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"As"
],
"chemical_system": "As-Cr",
"density": 7.231771172980101,
"density_atomic": 0.06473081896763419,
"volume": 92.69155088243264,
"volume_molar": 9.30335944461186,
"formula_full": "Cr2 As4",
"formula_reduced": "CrAs2",
"formula_anonymous": "AB2",
"energy": -38.66936956,
"energy_per_atom": -6.444894926666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.66936956,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016529,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.491000Z",
"spacegroup": 12
},
{
"id": "mp-20717",
"created_at": "2022-09-04T14:42:07.055418Z",
"structure_string": "Cr4 As4\n1.0\n3.567259 0.000000 0.000000\n0.000000 5.688791 0.000000\n0.000000 0.000000 6.286673\nCr As\n4 4\ndirect\n0.250000 0.501724 0.716701 Cr\n0.750000 0.498276 0.283299 Cr\n0.250000 0.001724 0.783299 Cr\n0.750000 0.998276 0.216701 Cr\n0.250000 0.714951 0.079842 As\n0.750000 0.285049 0.920158 As\n0.250000 0.214951 0.420158 As\n0.750000 0.785049 0.579842 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"As"
],
"chemical_system": "As-Cr",
"density": 6.6077832684326125,
"density_atomic": 0.06270677922437244,
"volume": 127.5779126109321,
"volume_molar": 9.603651845125153,
"formula_full": "Cr4 As4",
"formula_reduced": "CrAs",
"formula_anonymous": "AB",
"energy": -58.77757399,
"energy_per_atom": -7.34719674875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.77757399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.7019567,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.324000Z",
"spacegroup": 62
},
{
"id": "mp-568565",
"created_at": "2022-09-04T14:43:50.458154Z",
"structure_string": "Cr2 As2\n1.0\n1.821690 -3.155259 0.000000\n1.821690 3.155259 0.000000\n0.000000 0.000000 5.633955\nCr As\n2 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666667 0.250000 As\n0.666667 0.333333 0.750000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"As"
],
"chemical_system": "As-Cr",
"density": 6.508013248385811,
"density_atomic": 0.06175997810119183,
"volume": 64.7668623432172,
"volume_molar": 9.750879040359935,
"formula_full": "Cr2 As2",
"formula_reduced": "CrAs",
"formula_anonymous": "AB",
"energy": -29.33510661,
"energy_per_atom": -7.3337766525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.33510661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7986648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.874000Z",
"spacegroup": 194
},
{
"id": "mp-1018084",
"created_at": "2022-09-04T14:44:59.828746Z",
"structure_string": "Cr1 Ag1 Te2\n1.0\n7.365965 -2.054504 0.000000\n7.365965 2.054504 0.000000\n6.792926 0.000000 3.512062\nCr Ag Te\n1 1 2\ndirect\n0.001248 0.001248 0.001248 Cr\n0.856325 0.856325 0.856325 Ag\n0.731671 0.731671 0.731671 Te\n0.266755 0.266755 0.266755 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Ag",
"Te"
],
"chemical_system": "Ag-Cr-Te",
"density": 6.483890421398398,
"density_atomic": 0.03762973669724969,
"volume": 106.29891014603763,
"volume_molar": 16.003674988350767,
"formula_full": "Cr1 Ag1 Te2",
"formula_reduced": "CrAgTe2",
"formula_anonymous": "ABC2",
"energy": -20.161773930000003,
"energy_per_atom": -5.040443482500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.31777393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9990648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.863000Z",
"spacegroup": 160
},
{
"id": "mp-1213773",
"created_at": "2022-09-04T14:44:09.758381Z",
"structure_string": "Cr1 Ag1 S2 O8\n1.0\n4.038080 2.619902 -0.156342\n4.038080 -2.619902 -0.156342\n-0.013368 0.000000 -7.379374\nCr Ag S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Ag\n0.363554 0.363554 0.786598 S\n0.636446 0.636446 0.213402 S\n0.290320 0.290320 0.609630 O\n0.709680 0.709680 0.390370 O\n0.706007 0.240289 0.802805 O\n0.293993 0.759711 0.197195 O\n0.759711 0.293993 0.197195 O\n0.240289 0.706007 0.802805 O\n0.243352 0.243352 0.944332 O\n0.756648 0.756648 0.055668 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cr",
"Ag",
"S",
"O"
],
"chemical_system": "Ag-Cr-O-S",
"density": 3.7431640777547264,
"density_atomic": 0.0768495456999866,
"volume": 156.1492640027681,
"volume_molar": 7.836273728292254,
"formula_full": "Cr1 Ag1 S2 O8",
"formula_reduced": "CrAg(SO4)2",
"formula_anonymous": "ABC2D8",
"energy": -81.8212548,
"energy_per_atom": -6.8184379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.3262548,
"band_gap": 1.9491,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0002717,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.724000Z",
"spacegroup": 12
},
{
"id": "mp-1226317",
"created_at": "2022-09-04T14:44:54.002002Z",
"structure_string": "Cr2 Ag2 Sn2 Se4 S4\n1.0\n-3.800529 3.889300 5.415622\n3.800529 -3.889300 5.415622\n3.800529 3.889300 -5.415622\nCr Ag Sn Se S\n2 2 2 4 4\ndirect\n0.370488 0.629711 0.259223 Cr\n0.370488 0.111266 0.740777 Cr\n0.758239 0.258239 0.500000 Ag\n0.993866 0.993866 0.000000 Ag\n0.887136 0.629763 0.257373 Sn\n0.372390 0.629763 0.742627 Sn\n0.605429 0.363157 0.757728 Se\n0.605429 0.847701 0.242272 Se\n0.163364 0.378141 0.785224 Se\n0.592917 0.378141 0.214776 Se\n0.145621 0.883503 0.737881 S\n0.145621 0.407740 0.262119 S\n0.581033 0.869505 0.711527 S\n0.157978 0.869505 0.288473 S\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Cr",
"Ag",
"Sn",
"Se",
"S"
],
"chemical_system": "Ag-Cr-S-Se-Sn",
"density": 5.19238862424471,
"density_atomic": 0.043722421445865245,
"volume": 320.201844660732,
"volume_molar": 13.773575572561304,
"formula_full": "Cr2 Ag2 Sn2 Se4 S4",
"formula_reduced": "CrAgSn(SeS)2",
"formula_anonymous": "ABCD2E2",
"energy": -73.31692495,
"energy_per_atom": -5.236923210714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.41692495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.450000Z",
"spacegroup": 44
},
{
"id": "mp-1226303",
"created_at": "2022-09-04T14:45:22.024626Z",
"structure_string": "Cr2 Ag2 Sn2 Se8\n1.0\n-3.896418 3.980972 5.549001\n3.896418 -3.980972 5.549001\n3.896418 3.980972 -5.549001\nCr Ag Sn Se\n2 2 2 8\ndirect\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.882547 0.632547 0.250000 Ag\n0.117453 0.367453 0.750000 Ag\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.729941 0.738124 0.508183 Se\n0.729941 0.221758 0.991817 Se\n0.717185 0.753112 0.964073 Se\n0.289039 0.753112 0.535927 Se\n0.270059 0.261876 0.491817 Se\n0.270059 0.778242 0.008183 Se\n0.282815 0.246888 0.035927 Se\n0.710961 0.246888 0.464073 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Cr-Se-Sn",
"density": 5.733751722259656,
"density_atomic": 0.04066292142768252,
"volume": 344.2940031964618,
"volume_molar": 14.809906786235592,
"formula_full": "Cr2 Ag2 Sn2 Se8",
"formula_reduced": "CrAgSnSe4",
"formula_anonymous": "ABCD4",
"energy": -70.22822054,
"energy_per_atom": -5.016301467142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.45222054,
"band_gap": 0.0041000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0015333,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.410000Z",
"spacegroup": 74
},
{
"id": "mp-1226291",
"created_at": "2022-09-04T14:42:44.220848Z",
"structure_string": "Cr2 Ag2 Sn2 S8\n1.0\n-3.678388 3.788110 5.265035\n3.678388 -3.788110 5.265035\n3.678388 3.788110 -5.265035\nCr Ag Sn S\n2 2 2 8\ndirect\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.884819 0.634819 0.250000 Ag\n0.115181 0.365181 0.750000 Ag\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.730000 0.740012 0.510012 S\n0.730000 0.219988 0.989988 S\n0.718458 0.755039 0.963420 S\n0.291619 0.755039 0.536580 S\n0.270000 0.259988 0.489988 S\n0.270000 0.780012 0.010012 S\n0.281542 0.244961 0.036580 S\n0.708381 0.244961 0.463420 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"Ag",
"Sn",
"S"
],
"chemical_system": "Ag-Cr-S-Sn",
"density": 4.604211671197141,
"density_atomic": 0.04770750044343893,
"volume": 293.45490478165215,
"volume_molar": 12.623048166482187,
"formula_full": "Cr2 Ag2 Sn2 S8",
"formula_reduced": "CrAgSnS4",
"formula_anonymous": "ABCD4",
"energy": -76.73304350000001,
"energy_per_atom": -5.480931678571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.7090435,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.9996651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.922000Z",
"spacegroup": 74
},
{
"id": "mp-3532",
"created_at": "2022-09-04T14:47:42.532546Z",
"structure_string": "Cr1 Ag1 Se2\n1.0\n7.126700 -1.881016 0.000000\n7.126700 1.881016 0.000000\n6.630226 0.000000 3.219965\nCr Ag Se\n1 1 2\ndirect\n0.999842 0.999842 0.999842 Cr\n0.849437 0.849437 0.849437 Ag\n0.728209 0.728209 0.728209 Se\n0.266712 0.266712 0.266712 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Ag",
"Se"
],
"chemical_system": "Ag-Cr-Se",
"density": 6.112507722749183,
"density_atomic": 0.046333795490467615,
"volume": 86.3300741425971,
"volume_molar": 12.997296457698901,
"formula_full": "Cr1 Ag1 Se2",
"formula_reduced": "CrAgSe2",
"formula_anonymous": "ABC2",
"energy": -21.86673378,
"energy_per_atom": -5.466683445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.92273378,
"band_gap": 0.4239000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.999591,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.046000Z",
"spacegroup": 160
},
{
"id": "mp-570708",
"created_at": "2022-09-04T14:42:15.385919Z",
"structure_string": "Cr1 Ag1 Se2\n1.0\n7.689242 -1.792872 0.000000\n7.689242 1.792872 0.000000\n7.271205 0.000000 3.077079\nCr Ag Se\n1 1 2\ndirect\n0.257391 0.257391 0.257391 Cr\n0.747906 0.747906 0.747906 Ag\n0.860483 0.860483 0.860483 Se\n0.994221 0.994221 0.994221 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Ag",
"Se"
],
"chemical_system": "Ag-Cr-Se",
"density": 6.2198523961866465,
"density_atomic": 0.04714748544746049,
"volume": 84.84015556794562,
"volume_molar": 12.772983973261656,
"formula_full": "Cr1 Ag1 Se2",
"formula_reduced": "CrAgSe2",
"formula_anonymous": "ABC2",
"energy": -21.19814087,
"energy_per_atom": -5.2995352175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.25414087,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9865238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.576000Z",
"spacegroup": 160
},
{
"id": "mp-1232472",
"created_at": "2022-09-04T14:46:26.903833Z",
"structure_string": "Cr4 Ag4 S8\n1.0\n2.922729 -5.277337 0.867486\n5.790045 3.481497 1.695373\n-5.823624 0.007533 5.479393\nCr Ag S\n4 4 8\ndirect\n0.500149 0.753808 0.000134 Cr\n0.999991 0.495745 0.000152 Cr\n0.500199 0.253838 0.000148 Cr\n0.000008 0.995689 0.000155 Cr\n0.653102 0.479902 0.461456 Ag\n0.153279 0.231135 0.461605 Ag\n0.653113 0.979921 0.461481 Ag\n0.153277 0.731126 0.461605 Ag\n0.770123 0.653205 0.814665 S\n0.270152 0.410184 0.814863 S\n0.770189 0.153225 0.814692 S\n0.270175 0.910199 0.814866 S\n0.233399 0.345611 0.196218 S\n0.733509 0.101082 0.196446 S\n0.233422 0.845620 0.196255 S\n0.733512 0.601109 0.196458 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S",
"density": 5.0799682987606065,
"density_atomic": 0.0546304690111242,
"volume": 292.87685589413445,
"volume_molar": 11.023410322129457,
"formula_full": "Cr4 Ag4 S8",
"formula_reduced": "CrAgS2",
"formula_anonymous": "ABC2",
"energy": -94.68643389,
"energy_per_atom": -5.917902118125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.66243389,
"band_gap": 0.9816000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.509000Z",
"spacegroup": 7
}
]
}