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=elements&page=10380",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10378",
"results": [
{
"id": "mp-1147579",
"created_at": "2022-09-04T14:45:12.694191Z",
"structure_string": "Sr2 Cu1 S2 Cl2\n1.0\n-2.304610 2.304610 8.038071\n2.304610 -2.304610 8.038071\n2.304610 2.304610 -8.038071\nSr Cu S Cl\n2 1 2 2\ndirect\n0.374905 0.374905 0.000000 Sr\n0.625095 0.625095 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.189986 0.189986 0.000000 Cl\n0.810014 0.810014 0.000000 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"Cl"
],
"chemical_system": "Cl-Cu-S-Sr",
"density": 3.635023650300665,
"density_atomic": 0.040991265540613414,
"volume": 170.76808699805878,
"volume_molar": 14.691277960260512,
"formula_full": "Sr2 Cu1 S2 Cl2",
"formula_reduced": "Sr2Cu(SCl)2",
"formula_anonymous": "AB2C2D2",
"energy": -33.0780085,
"energy_per_atom": -4.725429785714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.8440085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028816,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.953000Z",
"spacegroup": 139
},
{
"id": "mp-1147576",
"created_at": "2022-09-04T14:43:35.330626Z",
"structure_string": "Sr2 Cu1 S2 Cl2\n1.0\n-2.361212 2.361212 7.474477\n2.361212 -2.361212 7.474477\n2.361212 2.361212 -7.474477\nSr Cu S Cl\n2 1 2 2\ndirect\n0.647443 0.647443 0.000000 Sr\n0.352557 0.352557 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.839368 0.839368 0.000000 S\n0.160632 0.160632 0.000000 S\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"Cl"
],
"chemical_system": "Cl-Cu-S-Sr",
"density": 3.7239444122125085,
"density_atomic": 0.041994003050533205,
"volume": 166.6904674835737,
"volume_molar": 14.340477979089771,
"formula_full": "Sr2 Cu1 S2 Cl2",
"formula_reduced": "Sr2Cu(SCl)2",
"formula_anonymous": "AB2C2D2",
"energy": -31.54244294,
"energy_per_atom": -4.506063277142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.30844294,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.109453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.208000Z",
"spacegroup": 139
},
{
"id": "mp-12444",
"created_at": "2022-09-04T14:46:00.806221Z",
"structure_string": "Sr2 Cu2 S2 F2\n1.0\n3.967775 0.000000 0.000000\n0.000000 3.967775 0.000000\n0.000000 0.000000 8.706646\nSr Cu S F\n2 2 2 2\ndirect\n0.000000 0.500000 0.829541 Sr\n0.500000 0.000000 0.170459 Sr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.660260 S\n0.000000 0.500000 0.339740 S\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"F"
],
"chemical_system": "Cu-F-S-Sr",
"density": 4.899800897425529,
"density_atomic": 0.05836399701241456,
"volume": 137.07080408318035,
"volume_molar": 10.318245953441185,
"formula_full": "Sr2 Cu2 S2 F2",
"formula_reduced": "SrCuSF",
"formula_anonymous": "ABCD",
"energy": -42.10499368,
"energy_per_atom": -5.26312421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.17499368,
"band_gap": 1.5126,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002842,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.889000Z",
"spacegroup": 129
},
{
"id": "mp-1208929",
"created_at": "2022-09-04T14:43:56.150317Z",
"structure_string": "Sr2 Cu1 S2 F1\n1.0\n4.424683 0.000000 0.000000\n0.000000 4.424683 0.000000\n0.000000 0.000000 14.105241\nSr Cu S F\n2 1 2 1\ndirect\n0.500000 0.500000 0.164828 Sr\n0.500000 0.500000 0.835172 Sr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.646708 S\n0.500000 0.500000 0.353292 S\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"F"
],
"chemical_system": "Cu-F-S-Sr",
"density": 1.9357295131340437,
"density_atomic": 0.021727332774542918,
"volume": 276.1498644246831,
"volume_molar": 27.716889240339302,
"formula_full": "Sr2 Cu1 S2 F1",
"formula_reduced": "Sr2CuS2F",
"formula_anonymous": "ABC2D2",
"energy": -23.90366262,
"energy_per_atom": -3.9839437699999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.43566262,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5460299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.065000Z",
"spacegroup": 123
},
{
"id": "mp-1147582",
"created_at": "2022-09-04T14:47:08.350580Z",
"structure_string": "Sr2 Cu1 S1 O2\n1.0\n3.902343 0.000000 0.000000\n0.000000 3.902343 0.000000\n0.000000 0.000000 6.881280\nSr Cu S O\n2 1 1 2\ndirect\n0.000000 0.000000 0.249157 Sr\n0.000000 0.000000 0.750843 Sr\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 S\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sr",
"density": 4.799061109029558,
"density_atomic": 0.0572573365233957,
"volume": 104.79006472032388,
"volume_molar": 10.517675333255008,
"formula_full": "Sr2 Cu1 S1 O2",
"formula_reduced": "Sr2CuSO2",
"formula_anonymous": "ABC2D2",
"energy": -34.3428168,
"energy_per_atom": -5.7238028000000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.4658168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034838,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.964000Z",
"spacegroup": 123
},
{
"id": "mp-1393408",
"created_at": "2022-09-04T14:41:09.032377Z",
"structure_string": "Sr2 Cu2 S2 O2\n1.0\n-1.904024 1.904024 9.590477\n1.904024 -1.904024 9.590477\n1.904024 1.904024 -9.590477\nSr Cu S O\n2 2 2 2\ndirect\n0.580750 0.580750 0.000000 Sr\n0.419250 0.419250 0.000000 Sr\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.822085 0.822085 0.000000 S\n0.177915 0.177915 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sr",
"density": 4.757619044294449,
"density_atomic": 0.05752345340289241,
"volume": 139.07370866572037,
"volume_molar": 10.469018120002499,
"formula_full": "Sr2 Cu2 S2 O2",
"formula_reduced": "SrCuSO",
"formula_anonymous": "ABCD",
"energy": -41.64293313,
"energy_per_atom": -5.20536664125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.26293313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3922551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.638000Z",
"spacegroup": 139
},
{
"id": "mp-7112",
"created_at": "2022-09-04T14:46:24.187942Z",
"structure_string": "Sr2 Cu3 S2 O2\n1.0\n-1.967351 1.967351 9.207852\n1.967351 -1.967351 9.207852\n1.967351 1.967351 -9.207852\nSr Cu S O\n2 3 2 2\ndirect\n0.591760 0.591760 0.000000 Sr\n0.408240 0.408240 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.174116 0.174116 0.000000 S\n0.825884 0.825884 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sr",
"density": 5.381649916499467,
"density_atomic": 0.0631335902338704,
"volume": 142.5548581454126,
"volume_molar": 9.538726908594523,
"formula_full": "Sr2 Cu3 S2 O2",
"formula_reduced": "Sr2Cu3(SO)2",
"formula_anonymous": "A2B2C2D3",
"energy": -48.16293803,
"energy_per_atom": -5.351437558888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.78293803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.4e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.170000Z",
"spacegroup": 139
},
{
"id": "mp-1517843",
"created_at": "2022-09-04T14:41:48.961281Z",
"structure_string": "Sr2 Cu1 Sb1 O6\n1.0\n0.000000 -4.001923 -4.001923\n4.001923 -0.000000 -4.001923\n4.001923 -4.001923 0.000000\nSr Cu Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Sb\n0.750491 0.249509 0.249509 O\n0.249509 0.750491 0.750491 O\n0.750491 0.249509 0.750491 O\n0.249509 0.750491 0.249509 O\n0.750491 0.750491 0.249509 O\n0.249509 0.249509 0.750491 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-O-Sb-Sr",
"density": 5.914173141525652,
"density_atomic": 0.07801243246977062,
"volume": 128.1846967645182,
"volume_molar": 7.719462871938452,
"formula_full": "Sr2 Cu1 Sb1 O6",
"formula_reduced": "Sr2CuSbO6",
"formula_anonymous": "ABC2D6",
"energy": -63.35367835,
"energy_per_atom": -6.3353678350000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.23167835,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3034541,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.581000Z",
"spacegroup": 225
},
{
"id": "mp-1046176",
"created_at": "2022-09-04T14:46:17.935965Z",
"structure_string": "Sr4 Cu4 Sb2 O14\n1.0\n-2.588314 2.618103 13.277662\n2.588314 -2.618103 13.277662\n2.588314 2.618103 -13.277662\nSr Cu Sb O\n4 4 2 14\ndirect\n0.638698 0.618131 0.978526 Sr\n0.361302 0.339827 0.979433 Sr\n0.139606 0.118131 0.979433 Sr\n0.860394 0.839827 0.978526 Sr\n0.561772 0.038228 0.480395 Cu\n0.438228 0.918623 0.476456 Cu\n0.057833 0.538228 0.476456 Cu\n0.942167 0.418623 0.480395 Cu\n0.233576 0.768766 0.502342 Sb\n0.766424 0.268766 0.535191 Sb\n0.864390 0.647563 0.011953 O\n0.135610 0.147563 0.783172 O\n0.326245 0.304105 0.480654 O\n0.673755 0.154408 0.977860 O\n0.323452 0.804105 0.977860 O\n0.676548 0.654408 0.480654 O\n0.826642 0.803232 0.478765 O\n0.173358 0.652122 0.976590 O\n0.824467 0.303232 0.976590 O\n0.175533 0.152122 0.478765 O\n0.188030 0.651365 0.488659 O\n0.811970 0.300629 0.463335 O\n0.662706 0.151365 0.463335 O\n0.337294 0.800629 0.488659 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-O-Sb-Sr",
"density": 4.946861222974733,
"density_atomic": 0.06668466161379076,
"volume": 359.9028535077198,
"volume_molar": 9.030773515621451,
"formula_full": "Sr4 Cu4 Sb2 O14",
"formula_reduced": "Sr2Cu2SbO7",
"formula_anonymous": "AB2C2D7",
"energy": -143.33330768,
"energy_per_atom": -5.972221153333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.71530768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5839298,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.472000Z",
"spacegroup": 46
},
{
"id": "mp-21228",
"created_at": "2022-09-04T14:44:25.740801Z",
"structure_string": "Sr2 Cu2 Se2 F2\n1.0\n4.093813 0.000000 0.000000\n0.000000 4.093813 0.000000\n0.000000 0.000000 8.901206\nSr Cu Se F\n2 2 2 2\ndirect\n0.000000 0.500000 0.661848 Sr\n0.500000 0.000000 0.338152 Sr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.831171 Se\n0.000000 0.500000 0.168829 Se\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Se",
"F"
],
"chemical_system": "Cu-F-Se-Sr",
"density": 5.546135948056412,
"density_atomic": 0.05362720140751583,
"volume": 149.17802514450815,
"volume_molar": 11.229638321488093,
"formula_full": "Sr2 Cu2 Se2 F2",
"formula_reduced": "SrCuSeF",
"formula_anonymous": "ABCD",
"energy": -40.48760438,
"energy_per_atom": -5.0609505475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.61960438,
"band_gap": 1.1989,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003915,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:33.782000Z",
"spacegroup": 129
},
{
"id": "mp-9640",
"created_at": "2022-09-04T14:48:21.932969Z",
"structure_string": "Sr2 Cu2 Se4 O12\n1.0\n2.613820 4.081563 0.000000\n-2.613820 4.081563 0.000000\n0.000000 0.264340 15.095487\nSr Cu Se O\n2 2 4 12\ndirect\n0.059668 0.940332 0.750000 Sr\n0.940332 0.059668 0.250000 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.642737 0.643180 0.906372 Se\n0.643180 0.642737 0.406372 Se\n0.356820 0.357263 0.593628 Se\n0.357263 0.356820 0.093628 Se\n0.839552 0.249050 0.894253 O\n0.750950 0.160448 0.605747 O\n0.160448 0.750950 0.105747 O\n0.249050 0.839552 0.394253 O\n0.265370 0.681644 0.918214 O\n0.318356 0.734630 0.581786 O\n0.734630 0.318356 0.081786 O\n0.681644 0.265370 0.418214 O\n0.758188 0.635805 0.299487 O\n0.364195 0.241812 0.200513 O\n0.241812 0.364195 0.700513 O\n0.635805 0.758188 0.799487 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-O-Se-Sr",
"density": 4.176795019338938,
"density_atomic": 0.06209415057484213,
"volume": 322.0915306006801,
"volume_molar": 9.698402674405711,
"formula_full": "Sr2 Cu2 Se4 O12",
"formula_reduced": "SrCu(SeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -119.57935479,
"energy_per_atom": -5.9789677395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.33535479,
"band_gap": 0.3056000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0018159,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:05.159000Z",
"spacegroup": 15
},
{
"id": "mp-17738",
"created_at": "2022-09-04T14:43:33.597792Z",
"structure_string": "Sr4 Cu2 Se6 O18\n1.0\n7.329269 0.000000 0.000000\n-0.916729 7.840780 0.000000\n-2.323612 -2.148879 8.187651\nSr Cu Se O\n4 2 6 18\ndirect\n0.624372 0.484447 0.807376 Sr\n0.375628 0.515553 0.192624 Sr\n0.758863 0.909895 0.609210 Sr\n0.241137 0.090105 0.390790 Sr\n0.085616 0.341067 0.747578 Cu\n0.914384 0.658933 0.252422 Cu\n0.899924 0.202102 0.030018 Se\n0.226798 0.631293 0.586756 Se\n0.365167 0.081753 0.795360 Se\n0.634833 0.918247 0.204640 Se\n0.773202 0.368707 0.413244 Se\n0.100076 0.797898 0.969982 Se\n0.171003 0.622968 0.379439 O\n0.828997 0.377032 0.620561 O\n0.223304 0.406558 0.590194 O\n0.776696 0.593442 0.409806 O\n0.470928 0.701444 0.648570 O\n0.529072 0.298556 0.351430 O\n0.057542 0.818467 0.158678 O\n0.942458 0.181533 0.841322 O\n0.184504 0.602686 0.942304 O\n0.815496 0.397314 0.057696 O\n0.874673 0.751661 0.833419 O\n0.125327 0.248339 0.166581 O\n0.484597 0.870701 0.318006 O\n0.515403 0.129299 0.681994 O\n0.847411 0.998231 0.358168 O\n0.152589 0.001769 0.641832 O\n0.661556 0.701731 0.119113 O\n0.338444 0.298269 0.880887 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-O-Se-Sr",
"density": 4.373747667471114,
"density_atomic": 0.06375907418835818,
"volume": 470.5212611992055,
"volume_molar": 9.445150885047807,
"formula_full": "Sr4 Cu2 Se6 O18",
"formula_reduced": "Sr2Cu(SeO3)3",
"formula_anonymous": "AB2C3D9",
"energy": -182.49989061,
"energy_per_atom": -6.083329687,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.13389061,
"band_gap": 0.0841000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.998781,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.700000Z",
"spacegroup": 2
}
]
}