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=-id&page=10408",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10406",
"results": [
{
"id": "mp-1105000",
"created_at": "2022-09-04T14:46:52.619531Z",
"structure_string": "Mn2 Mo2 O10\n1.0\n5.551779 0.000000 0.000000\n-1.478205 5.632446 0.000000\n-0.647553 -1.460570 6.950195\nMn Mo O\n2 2 10\ndirect\n0.849636 0.804023 0.299050 Mn\n0.150364 0.195977 0.700950 Mn\n0.761469 0.620731 0.750227 Mo\n0.238531 0.379269 0.249773 Mo\n0.874625 0.867087 0.621551 O\n0.125375 0.132913 0.378449 O\n0.891623 0.374792 0.673590 O\n0.108377 0.625208 0.326410 O\n0.423607 0.510976 0.708422 O\n0.576393 0.489024 0.291578 O\n0.862066 0.730759 0.998848 O\n0.137934 0.269241 0.001152 O\n0.618519 0.955870 0.267501 O\n0.381481 0.044130 0.732499 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O",
"density": 3.5280106710809824,
"density_atomic": 0.06441719939875605,
"volume": 217.33326084757346,
"volume_molar": 9.348653490384887,
"formula_full": "Mn2 Mo2 O10",
"formula_reduced": "MnMoO5",
"formula_anonymous": "ABC5",
"energy": -112.72468856999998,
"energy_per_atom": -8.051763469285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.11468857,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9935912,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.530000Z",
"spacegroup": 2
},
{
"id": "mp-1105",
"created_at": "2022-09-04T14:40:13.699481Z",
"structure_string": "Ba1 O2\n1.0\n-1.932967 1.932967 3.489148\n1.932967 -1.932967 3.489148\n1.932967 1.932967 -3.489148\nBa O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.392337 0.392337 0.000000 O\n0.607663 0.607663 0.000000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"O"
],
"chemical_system": "Ba-O",
"density": 5.3919265986129945,
"density_atomic": 0.05752981699597476,
"volume": 52.14687194659256,
"volume_molar": 10.467860101869187,
"formula_full": "Ba1 O2",
"formula_reduced": "BaO2",
"formula_anonymous": "AB2",
"energy": -18.32547494,
"energy_per_atom": -6.108491646666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.39547494,
"band_gap": 2.2352,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.5e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.353000Z",
"spacegroup": 139
},
{
"id": "mp-1104995",
"created_at": "2022-09-04T14:40:07.357068Z",
"structure_string": "Yb1 P3 O10\n1.0\n3.460268 5.897001 0.000000\n-3.460268 5.897001 0.000000\n0.000000 1.854489 5.424781\nYb P O\n1 3 10\ndirect\n0.032284 0.967716 0.500000 Yb\n0.687172 0.312828 0.000000 P\n0.526629 0.817599 0.808122 P\n0.182401 0.473371 0.191878 P\n0.659686 0.564070 0.960295 O\n0.435930 0.340314 0.039705 O\n0.791060 0.183756 0.227106 O\n0.816244 0.208940 0.772894 O\n0.363923 0.815221 0.676870 O\n0.184779 0.636077 0.323130 O\n0.714005 0.877584 0.647574 O\n0.122416 0.285995 0.352426 O\n0.390784 0.967714 0.006787 O\n0.032286 0.609216 0.993213 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"P",
"O"
],
"chemical_system": "O-P-Yb",
"density": 3.194919836014386,
"density_atomic": 0.06323752903599669,
"volume": 221.3875243612188,
"volume_molar": 9.523048815794207,
"formula_full": "Yb1 P3 O10",
"formula_reduced": "YbP3O10",
"formula_anonymous": "AB3C10",
"energy": -101.37738491,
"energy_per_atom": -7.241241779285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.50738491,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0017051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.586000Z",
"spacegroup": 5
},
{
"id": "mp-1104994",
"created_at": "2022-09-04T14:39:26.306516Z",
"structure_string": "Pr1 Mn4 Al8\n1.0\n0.000000 0.000000 5.212929\n-4.463515 4.463515 2.606464\n-4.463515 -4.463515 2.606464\nPr Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.340802 0.659198 Al\n0.000000 0.659198 0.340802 Al\n0.659198 0.340802 0.340802 Al\n0.340802 0.659198 0.659198 Al\n0.500000 0.771738 0.228262 Al\n0.500000 0.228262 0.771738 Al\n0.728262 0.771738 0.771738 Al\n0.271738 0.228262 0.228262 Al\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Pr",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Pr",
"density": 4.608841266201498,
"density_atomic": 0.06258605098377107,
"volume": 207.7140160731818,
"volume_molar": 9.62217725090464,
"formula_full": "Pr1 Mn4 Al8",
"formula_reduced": "Pr(MnAl2)4",
"formula_anonymous": "AB4C8",
"energy": -75.51371944,
"energy_per_atom": -5.808747649230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.51371944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9882786,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.522000Z",
"spacegroup": 139
},
{
"id": "mp-1104990",
"created_at": "2022-09-04T14:40:16.619421Z",
"structure_string": "Cr2 Cu1 N4 O8\n1.0\n6.027315 0.000000 0.000000\n-2.165980 6.836553 0.000000\n-0.264423 -2.958506 7.340572\nCr Cu N O\n2 1 4 8\ndirect\n0.688505 0.285928 0.212021 Cr\n0.311495 0.714072 0.787979 Cr\n0.000000 0.000000 0.000000 Cu\n0.031726 0.993640 0.238433 N\n0.968274 0.006360 0.761567 N\n0.354835 0.649474 0.264101 N\n0.645165 0.350526 0.735899 N\n0.619154 0.147223 0.340077 O\n0.380846 0.852777 0.659923 O\n0.444072 0.239575 0.076447 O\n0.555928 0.760425 0.923553 O\n0.908090 0.229298 0.086370 O\n0.091910 0.770702 0.913630 O\n0.782738 0.536322 0.342647 O\n0.217262 0.463678 0.657353 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cr",
"Cu",
"N",
"O"
],
"chemical_system": "Cr-Cu-N-O",
"density": 1.930002285718596,
"density_atomic": 0.04959070495921763,
"volume": 302.4760388531619,
"volume_molar": 12.143688550006468,
"formula_full": "Cr2 Cu1 N4 O8",
"formula_reduced": "Cr2Cu(NO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -88.45340632,
"energy_per_atom": -5.896893754666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.95940632,
"band_gap": 0.0941,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0244657,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.312000Z",
"spacegroup": 2
},
{
"id": "mp-1104989",
"created_at": "2022-09-04T14:40:04.488151Z",
"structure_string": "Cs1 Fe1 Mo2 O8\n1.0\n-2.899502 -5.021906 0.000241\n-2.899415 5.021856 -0.000039\n0.000285 0.000228 -8.352526\nCs Fe Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Fe\n0.333361 0.666679 0.207674 Mo\n0.666639 0.333321 0.792326 Mo\n0.333400 0.666698 0.417695 O\n0.666600 0.333302 0.582305 O\n0.161705 0.838398 0.142525 O\n0.161619 0.323311 0.142527 O\n0.676702 0.838306 0.142524 O\n0.838295 0.161602 0.857475 O\n0.838381 0.676689 0.857473 O\n0.323298 0.161694 0.857476 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cs",
"Fe",
"Mo",
"O"
],
"chemical_system": "Cs-Fe-Mo-O",
"density": 3.472291774926312,
"density_atomic": 0.049334428393479346,
"volume": 243.2378440526549,
"volume_molar": 12.206771125366807,
"formula_full": "Cs1 Fe1 Mo2 O8",
"formula_reduced": "CsFe(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy": -94.95019924,
"energy_per_atom": -7.912516603333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.79419924,
"band_gap": 2.4238,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.9997861,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.814000Z",
"spacegroup": 164
},
{
"id": "mp-1104988",
"created_at": "2022-09-04T14:42:42.239120Z",
"structure_string": "Ba4 Bi4 Se6 O4\n1.0\n0.000000 4.230614 0.000000\n8.380438 0.000000 -5.663376\n-8.242789 0.000000 -8.585251\nBa Bi Se O\n4 4 6 4\ndirect\n0.490975 0.705148 0.597749 Ba\n0.990975 0.794852 0.902251 Ba\n0.509025 0.294852 0.402251 Ba\n0.009025 0.205148 0.097749 Ba\n0.495206 0.451162 0.813385 Bi\n0.995206 0.048838 0.686615 Bi\n0.504794 0.548838 0.186615 Bi\n0.004794 0.951162 0.313385 Bi\n0.500000 0.000000 0.500000 Se\n0.000000 0.500000 0.000000 Se\n0.496638 0.086707 0.859417 Se\n0.996638 0.413293 0.640583 Se\n0.503362 0.913293 0.140583 Se\n0.003362 0.586707 0.359417 Se\n0.506144 0.339120 0.186070 O\n0.006144 0.160880 0.313930 O\n0.493856 0.660880 0.813930 O\n0.993856 0.839120 0.686070 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Se",
"O"
],
"chemical_system": "Ba-Bi-O-Se",
"density": 6.362487027654726,
"density_atomic": 0.03586525508823637,
"volume": 501.87848812774547,
"volume_molar": 16.791016110673734,
"formula_full": "Ba4 Bi4 Se6 O4",
"formula_reduced": "Ba2Bi2Se3O2",
"formula_anonymous": "A2B2C2D3",
"energy": -96.8216349,
"energy_per_atom": -5.378979716666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.2416349,
"band_gap": 1.4192999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.434000Z",
"spacegroup": 14
},
{
"id": "mp-1104984",
"created_at": "2022-09-04T14:42:11.485750Z",
"structure_string": "Sm1 Al8 Fe4\n1.0\n0.000000 0.000000 5.060916\n-4.382777 4.382777 2.530459\n-4.382777 -4.382777 2.530459\nSm Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.341119 0.658881 Al\n0.000000 0.658881 0.341119 Al\n0.658881 0.341119 0.341119 Al\n0.341119 0.658881 0.658881 Al\n0.500000 0.777612 0.222388 Al\n0.500000 0.222388 0.777612 Al\n0.722388 0.777612 0.777612 Al\n0.277612 0.222388 0.222388 Al\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Sm",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Sm",
"density": 5.03550503467104,
"density_atomic": 0.06686294169148826,
"volume": 194.42758082620998,
"volume_molar": 9.006694302782412,
"formula_full": "Sm1 Al8 Fe4",
"formula_reduced": "Sm(Al2Fe)4",
"formula_anonymous": "AB4C8",
"energy": -73.96797585,
"energy_per_atom": -5.689844296153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.96797585,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3107006,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.580000Z",
"spacegroup": 139
},
{
"id": "mp-1104978",
"created_at": "2022-09-04T14:47:46.605489Z",
"structure_string": "Rb2 Co2 Cl6 O4\n1.0\n2.976513 7.638140 0.000000\n-2.976513 7.638140 0.000000\n0.000000 4.161316 7.449379\nRb Co Cl O\n2 2 6 4\ndirect\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.195707 0.804293 0.750000 Cl\n0.804293 0.195707 0.250000 Cl\n0.087626 0.643064 0.546430 Cl\n0.356936 0.912374 0.953570 Cl\n0.912374 0.356936 0.453570 Cl\n0.643064 0.087626 0.046430 Cl\n0.716300 0.123004 0.619696 O\n0.876996 0.283700 0.880304 O\n0.283700 0.876996 0.380304 O\n0.123004 0.716300 0.119696 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Co",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Rb",
"density": 2.772360811943483,
"density_atomic": 0.041331633687860414,
"volume": 338.7236058881448,
"volume_molar": 14.570294524236948,
"formula_full": "Rb2 Co2 Cl6 O4",
"formula_reduced": "RbCoCl3O2",
"formula_anonymous": "ABC2D3",
"energy": -59.51106987,
"energy_per_atom": -4.250790705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.80306987,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2635043,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.403000Z",
"spacegroup": 15
},
{
"id": "mp-1104976",
"created_at": "2022-09-04T14:47:30.713221Z",
"structure_string": "Mn1 Re2 H2 O10\n1.0\n0.106545 0.000000 -5.585982\n0.000000 -5.872932 0.000000\n-6.780532 2.936466 2.768192\nMn Re H O\n1 2 2 10\ndirect\n0.000000 0.500000 0.000000 Mn\n0.855326 0.133320 0.266640 Re\n0.144674 0.866680 0.733360 Re\n0.653062 0.323163 0.646326 H\n0.346938 0.676837 0.353674 H\n0.851913 0.816887 0.125625 O\n0.851913 0.308738 0.125625 O\n0.148087 0.183113 0.874375 O\n0.148087 0.691262 0.874375 O\n0.586183 0.165228 0.330456 O\n0.413817 0.834772 0.669544 O\n0.133474 0.242127 0.484254 O\n0.866526 0.757873 0.515746 O\n0.678889 0.393993 0.787986 O\n0.321111 0.606007 0.212014 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Mn",
"Re",
"H",
"O"
],
"chemical_system": "H-Mn-O-Re",
"density": 4.434125213624363,
"density_atomic": 0.06796229547694047,
"volume": 220.7106145361068,
"volume_molar": 8.861002586416914,
"formula_full": "Mn1 Re2 H2 O10",
"formula_reduced": "MnRe2(HO5)2",
"formula_anonymous": "AB2C2D10",
"energy": -116.76796555,
"energy_per_atom": -7.7845310366666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.22996555,
"band_gap": 0.3617000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0003272,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.329000Z",
"spacegroup": 12
},
{
"id": "mp-1104975",
"created_at": "2022-09-04T14:44:17.277157Z",
"structure_string": "Lu1 Fe6 Sn6\n1.0\n2.706234 -4.687334 0.000000\n2.706234 4.687334 0.000000\n0.000000 0.000000 8.937806\nLu Fe Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.755268 Fe\n0.500000 0.000000 0.755268 Fe\n0.000000 0.500000 0.755268 Fe\n0.500000 0.500000 0.244732 Fe\n0.500000 0.000000 0.244732 Fe\n0.000000 0.500000 0.244732 Fe\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n0.000000 0.000000 0.663613 Sn\n0.000000 0.000000 0.336387 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Lu",
"Fe",
"Sn"
],
"chemical_system": "Fe-Lu-Sn",
"density": 8.951043694114558,
"density_atomic": 0.05733122033478395,
"volume": 226.75254292664428,
"volume_molar": 10.504121009170722,
"formula_full": "Lu1 Fe6 Sn6",
"formula_reduced": "Lu(FeSn)6",
"formula_anonymous": "AB6C6",
"energy": -80.68510561,
"energy_per_atom": -6.206546585384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.68510561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.6835104,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.287000Z",
"spacegroup": 191
},
{
"id": "mp-1104974",
"created_at": "2022-09-04T14:44:55.321554Z",
"structure_string": "Cr5 In1 Se8\n1.0\n1.838885 9.444091 0.000000\n-1.838885 9.444091 0.000000\n0.000000 2.274585 8.754998\nCr In Se\n5 1 8\ndirect\n0.000000 0.000000 0.500000 Cr\n0.295516 0.295516 0.834992 Cr\n0.704484 0.704484 0.165008 Cr\n0.341876 0.341876 0.479953 Cr\n0.658124 0.658124 0.520047 Cr\n0.500000 0.500000 0.000000 In\n0.169541 0.169541 0.008755 Se\n0.830459 0.830459 0.991245 Se\n0.239255 0.239255 0.341944 Se\n0.760745 0.760745 0.658056 Se\n0.086202 0.086202 0.673753 Se\n0.913798 0.913798 0.326247 Se\n0.425880 0.425880 0.659062 Se\n0.574120 0.574120 0.340938 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"In",
"Se"
],
"chemical_system": "Cr-In-Se",
"density": 5.496077136267827,
"density_atomic": 0.04603914561056674,
"volume": 304.08904888075875,
"volume_molar": 13.080478970960355,
"formula_full": "Cr5 In1 Se8",
"formula_reduced": "Cr5InSe8",
"formula_anonymous": "AB5C8",
"energy": -89.85134739,
"energy_per_atom": -6.417953385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.07534739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0008318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.247000Z",
"spacegroup": 12
}
]
}