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=-chemical_system&page=12102",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=12100",
"results": [
{
"id": "mp-864991",
"created_at": "2022-09-04T14:40:14.890168Z",
"structure_string": "Ca2 Ag1 Pb1\n1.0\n0.000000 3.823899 3.823899\n3.823899 0.000000 3.823899\n3.823899 3.823899 0.000000\nCa Ag Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Pb"
],
"chemical_system": "Ag-Ca-Pb",
"density": 5.868720038528122,
"density_atomic": 0.03576932603343875,
"volume": 111.82765915859368,
"volume_molar": 16.836047607858855,
"formula_full": "Ca2 Ag1 Pb1",
"formula_reduced": "Ca2AgPb",
"formula_anonymous": "ABC2",
"energy": -12.43326318,
"energy_per_atom": -3.108315795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.43326318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.893000Z",
"spacegroup": 225
},
{
"id": "mp-1096029",
"created_at": "2022-09-04T14:47:25.406846Z",
"structure_string": "Ca1 Ag2 Pb1\n1.0\n-5.703744 6.521317 8.492713\n5.703744 -6.521317 8.492713\n5.703744 6.521317 -8.492713\nCa Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.250137 0.250137 Ag\n0.000000 0.749863 0.749863 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Pb"
],
"chemical_system": "Ag-Ca-Pb",
"density": 0.608473711359912,
"density_atomic": 0.0031656158770313057,
"volume": 1263.5771854136563,
"volume_molar": 190.23599179214142,
"formula_full": "Ca1 Ag2 Pb1",
"formula_reduced": "CaAg2Pb",
"formula_anonymous": "ABC2",
"energy": -6.65761874,
"energy_per_atom": -1.664404685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.65761874,
"band_gap": 0.8364000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9308047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.708000Z",
"spacegroup": 71
},
{
"id": "mp-1205978",
"created_at": "2022-09-04T14:48:20.787467Z",
"structure_string": "Ca3 Ag3 Pb3\n1.0\n-2.483985 -4.302388 0.000000\n-2.483985 4.302388 0.000000\n0.000000 0.000000 -11.224014\nCa Ag Pb\n3 3 3\ndirect\n0.666667 0.333333 0.829668 Ca\n0.666667 0.333333 0.497755 Ca\n0.666667 0.333333 0.165855 Ca\n0.333333 0.666667 0.996772 Ag\n0.000000 0.000000 0.690299 Ag\n0.000000 0.000000 0.301715 Ag\n0.333333 0.666667 0.649097 Pb\n0.333333 0.666667 0.347518 Pb\n0.000000 0.000000 0.999222 Pb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Pb"
],
"chemical_system": "Ag-Ca-Pb",
"density": 7.374639350760849,
"density_atomic": 0.03751507089744819,
"volume": 239.90358500461178,
"volume_molar": 16.052590641404418,
"formula_full": "Ca3 Ag3 Pb3",
"formula_reduced": "CaAgPb",
"formula_anonymous": "ABC",
"energy": -29.2079037,
"energy_per_atom": -3.245322633333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.2079037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:50.663000Z",
"spacegroup": 187
},
{
"id": "mp-961647",
"created_at": "2022-09-04T14:44:49.329164Z",
"structure_string": "Ca1 Ag1 P1\n1.0\n0.000000 3.341440 3.341440\n3.341440 0.000000 3.341440\n3.341440 3.341440 0.000000\nCa Ag P\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"P"
],
"chemical_system": "Ag-Ca-P",
"density": 3.9817766684068663,
"density_atomic": 0.04020594344914386,
"volume": 74.61583394491596,
"volume_molar": 14.978235164702333,
"formula_full": "Ca1 Ag1 P1",
"formula_reduced": "CaAgP",
"formula_anonymous": "ABC",
"energy": -10.48408071,
"energy_per_atom": -3.4946935700000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.48408071,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.009000Z",
"spacegroup": 216
},
{
"id": "mp-12277",
"created_at": "2022-09-04T14:40:38.501582Z",
"structure_string": "Ca3 Ag3 P3\n1.0\n3.538402 -6.128693 0.000000\n3.538402 6.128693 0.000000\n0.000000 0.000000 4.203020\nCa Ag P\n3 3 3\ndirect\n0.589080 0.000000 0.500000 Ca\n0.410920 0.410920 0.500000 Ca\n0.000000 0.589080 0.500000 Ca\n0.252909 0.000000 0.000000 Ag\n0.747091 0.747091 0.000000 Ag\n0.000000 0.252909 0.000000 Ag\n0.000000 0.000000 0.500000 P\n0.333333 0.666667 0.000000 P\n0.666667 0.333333 0.000000 P\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"P"
],
"chemical_system": "Ag-Ca-P",
"density": 4.889479822330472,
"density_atomic": 0.04937146545464195,
"volume": 182.29153048471667,
"volume_molar": 12.197613954831054,
"formula_full": "Ca3 Ag3 P3",
"formula_reduced": "CaAgP",
"formula_anonymous": "ABC",
"energy": -37.60089923,
"energy_per_atom": -4.177877692222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.60089923,
"band_gap": 0.0070000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008765,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.236000Z",
"spacegroup": 189
},
{
"id": "mp-1367745",
"created_at": "2022-09-04T14:40:05.822622Z",
"structure_string": "Ca4 Y2 Ag2 O10\n1.0\n2.979403 8.250242 0.000000\n-2.979403 8.250242 0.000000\n0.000000 1.971615 5.457489\nCa Y Ag O\n4 2 2 10\ndirect\n0.578352 0.131942 0.921870 Ca\n0.865294 0.422076 0.637855 Ca\n0.422076 0.865294 0.137855 Ca\n0.131942 0.578352 0.421870 Ca\n0.202661 0.796156 0.805186 Y\n0.796156 0.202661 0.305186 Y\n0.498707 0.999949 0.493685 Ag\n0.999949 0.498707 0.993685 Ag\n0.144456 0.852914 0.184909 O\n0.852914 0.144456 0.684909 O\n0.523155 0.256292 0.273703 O\n0.477178 0.739097 0.554858 O\n0.256292 0.523155 0.773703 O\n0.739097 0.477178 0.054858 O\n0.196553 0.231224 0.292212 O\n0.792016 0.774752 0.209320 O\n0.774752 0.792016 0.709320 O\n0.231224 0.196553 0.792212 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Y",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O-Y",
"density": 4.4181428395206215,
"density_atomic": 0.06708936819979482,
"volume": 268.29884500320946,
"volume_molar": 8.976296724193055,
"formula_full": "Ca4 Y2 Ag2 O10",
"formula_reduced": "Ca2YAgO5",
"formula_anonymous": "ABC2D5",
"energy": -121.8213256,
"energy_per_atom": -6.767851422222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.9513256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001717,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.337000Z",
"spacegroup": 46
},
{
"id": "mp-1233425",
"created_at": "2022-09-04T14:44:07.534776Z",
"structure_string": "Ca1 Y4 Ag4 O12\n1.0\n6.274147 0.136397 0.000000\n0.195429 7.282111 0.000000\n0.000000 0.000000 7.018412\nCa Y Ag O\n1 4 4 12\ndirect\n0.057856 0.795684 0.250000 Ca\n0.922933 0.945232 0.750000 Y\n0.495351 0.526681 0.250000 Y\n0.579143 0.444671 0.750000 Y\n0.917396 0.185623 0.250000 Y\n0.043451 0.487403 0.535662 Ag\n0.471376 0.986202 0.492815 Ag\n0.471376 0.986202 0.007185 Ag\n0.043451 0.487403 0.964338 Ag\n0.740318 0.375347 0.454872 O\n0.146597 0.032103 0.498992 O\n0.791146 0.946616 0.051304 O\n0.354646 0.576898 0.959775 O\n0.354646 0.576898 0.540225 O\n0.791146 0.946616 0.448696 O\n0.146597 0.032103 0.001008 O\n0.740318 0.375347 0.045128 O\n0.149330 0.427322 0.250000 O\n0.565026 0.111936 0.750000 O\n0.421386 0.837792 0.250000 O\n0.856035 0.645922 0.750000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Y",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O-Y",
"density": 5.280767630144613,
"density_atomic": 0.06552724391704406,
"volume": 320.4773884063475,
"volume_molar": 9.190285444667698,
"formula_full": "Ca1 Y4 Ag4 O12",
"formula_reduced": "CaY4(AgO3)4",
"formula_anonymous": "AB4C4D12",
"energy": -145.1466018,
"energy_per_atom": -6.911742942857144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.9026018,
"band_gap": 0.1231999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.215000Z",
"spacegroup": 6
},
{
"id": "mvc-5327",
"created_at": "2022-09-04T14:40:28.488442Z",
"structure_string": "Ca4 Y2 Ag2 O10\n1.0\n5.502761 -0.014732 -1.841428\n-0.638055 5.599780 -1.934614\n-0.206055 -0.130414 8.828830\nCa Y Ag O\n4 2 2 10\ndirect\n0.135250 0.635028 0.213380 Ca\n0.428311 0.925162 0.790456 Ca\n0.930792 0.367879 0.790385 Ca\n0.632850 0.080371 0.213369 Ca\n0.307090 0.299242 0.501903 Y\n0.807903 0.705747 0.503195 Y\n0.495427 0.503035 0.001742 Ag\n0.993487 0.000624 0.001503 Ag\n0.685365 0.356000 0.500456 O\n0.186031 0.647414 0.501296 O\n0.556237 0.759378 0.282533 O\n0.274219 0.242183 0.719361 O\n0.056214 0.024902 0.280169 O\n0.777692 0.979772 0.722042 O\n0.223075 0.734310 0.930863 O\n0.279175 0.277838 0.069855 O\n0.780634 0.294240 0.071012 O\n0.721939 0.697946 0.927980 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Y",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O-Y",
"density": 4.41814707125911,
"density_atomic": 0.06708943245861847,
"volume": 268.2985880243153,
"volume_molar": 8.976288126620426,
"formula_full": "Ca4 Y2 Ag2 O10",
"formula_reduced": "Ca2YAgO5",
"formula_anonymous": "ABC2D5",
"energy": -121.83079309,
"energy_per_atom": -6.768377393888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.96079309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.919000Z",
"spacegroup": 9
},
{
"id": "mp-1047208",
"created_at": "2022-09-04T14:40:36.850532Z",
"structure_string": "Ca2 Ag1 W1 O6\n1.0\n3.014266 -3.030896 -3.928180\n-0.214568 6.021195 -0.182504\n-0.015113 -0.223904 8.025842\nCa Ag W O\n2 1 1 6\ndirect\n0.993960 0.549427 0.210673 Ca\n0.012445 0.569406 0.717344 Ca\n0.993753 0.005348 0.490638 Ag\n0.000948 0.982858 0.002775 W\n0.756867 0.831867 0.114096 O\n0.208560 0.061195 0.877768 O\n0.356094 0.433702 0.241999 O\n0.427961 0.813573 0.670139 O\n0.497514 0.058639 0.326423 O\n0.688581 0.508068 0.806883 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Ag",
"W",
"O"
],
"chemical_system": "Ag-Ca-O-W",
"density": 5.558514506133279,
"density_atomic": 0.0715472873415809,
"volume": 139.76770289358453,
"volume_molar": 8.417007805270254,
"formula_full": "Ca2 Ag1 W1 O6",
"formula_reduced": "Ca2AgWO6",
"formula_anonymous": "ABC2D6",
"energy": -73.11843733,
"energy_per_atom": -7.311843733000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.55843733,
"band_gap": 0.0644000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.632000Z",
"spacegroup": 1
},
{
"id": "mp-1369774",
"created_at": "2022-09-04T14:42:17.278060Z",
"structure_string": "Ca4 Ag2 W2 O12\n1.0\n5.923185 0.000000 0.000000\n0.000000 5.627033 0.000000\n0.000000 5.556410 7.909957\nCa Ag W O\n4 2 2 12\ndirect\n0.063918 0.273025 0.745516 Ca\n0.563918 0.726975 0.754484 Ca\n0.936082 0.726975 0.254484 Ca\n0.436082 0.273025 0.245516 Ca\n0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.273044 0.767682 0.573331 O\n0.773044 0.232318 0.926669 O\n0.726956 0.232318 0.426669 O\n0.226956 0.767682 0.073331 O\n0.171640 0.338212 0.446516 O\n0.671640 0.661788 0.053484 O\n0.828360 0.661788 0.553484 O\n0.328360 0.338212 0.946516 O\n0.443327 0.110016 0.768176 O\n0.943327 0.889984 0.731824 O\n0.056673 0.110016 0.268176 O\n0.556673 0.889984 0.231824 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ag",
"W",
"O"
],
"chemical_system": "Ag-Ca-O-W",
"density": 5.893681800427384,
"density_atomic": 0.07586144550126557,
"volume": 263.6385303212598,
"volume_molar": 7.938341696770773,
"formula_full": "Ca4 Ag2 W2 O12",
"formula_reduced": "Ca2AgWO6",
"formula_anonymous": "ABC2D6",
"energy": -146.51534691,
"energy_per_atom": -7.3257673455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.39534691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994706,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.541000Z",
"spacegroup": 14
},
{
"id": "mp-1390540",
"created_at": "2022-09-04T14:40:10.177780Z",
"structure_string": "Ca2 Ag1 W1 O6\n1.0\n-5.543943 0.000000 0.000000\n-0.004624 -5.803266 0.000000\n2.772507 2.672708 4.344256\nCa Ag W O\n2 1 1 6\ndirect\n0.766141 0.661246 0.444532 Ca\n0.274306 0.147938 0.443039 Ca\n0.502233 0.485290 0.988405 Ag\n0.984685 0.019917 0.018090 W\n0.189096 0.282229 0.925000 O\n0.730403 0.816573 0.147365 O\n0.319607 0.808297 0.922392 O\n0.055751 0.856566 0.614388 O\n0.887549 0.267785 0.438875 O\n0.626370 0.298814 0.180513 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Ag",
"W",
"O"
],
"chemical_system": "Ag-Ca-O-W",
"density": 5.558516861479126,
"density_atomic": 0.07154731765878272,
"volume": 139.7676436689232,
"volume_molar": 8.417004238677785,
"formula_full": "Ca2 Ag1 W1 O6",
"formula_reduced": "Ca2AgWO6",
"formula_anonymous": "ABC2D6",
"energy": -32.92896352,
"energy_per_atom": -3.2928963520000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.70096352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9635441,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.385000Z",
"spacegroup": 1
},
{
"id": "mp-16967",
"created_at": "2022-09-04T14:41:23.947255Z",
"structure_string": "Ca2 V8 Ag4 O24\n1.0\n10.520542 0.000000 0.000000\n0.000000 10.520542 0.000000\n0.000000 0.000000 5.082922\nCa V Ag O\n2 8 4 24\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.223695 0.500000 0.000000 V\n0.500000 0.223695 0.000000 V\n0.000000 0.723695 0.000000 V\n0.723695 0.000000 0.000000 V\n0.276305 0.000000 0.000000 V\n0.000000 0.276305 0.000000 V\n0.500000 0.776305 0.000000 V\n0.776305 0.500000 0.000000 V\n0.250000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 Ag\n0.750000 0.750000 0.500000 Ag\n0.431654 0.310918 0.241589 O\n0.568346 0.689082 0.241589 O\n0.689082 0.431654 0.241589 O\n0.310918 0.568346 0.241589 O\n0.310918 0.431654 0.758411 O\n0.431654 0.689082 0.758411 O\n0.568346 0.310918 0.758411 O\n0.689082 0.568346 0.758411 O\n0.068346 0.189082 0.758411 O\n0.931654 0.810918 0.758411 O\n0.810918 0.068346 0.758411 O\n0.189082 0.931654 0.758411 O\n0.189082 0.068346 0.241589 O\n0.068346 0.810918 0.241589 O\n0.120556 0.379444 0.144714 O\n0.379444 0.879444 0.144714 O\n0.620556 0.120556 0.144714 O\n0.879444 0.620556 0.144714 O\n0.879444 0.379444 0.855286 O\n0.120556 0.620556 0.855286 O\n0.379444 0.120556 0.855286 O\n0.620556 0.879444 0.855286 O\n0.810918 0.931654 0.241589 O\n0.931654 0.189082 0.241589 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ca",
"V",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O-V",
"density": 3.8463839324492666,
"density_atomic": 0.06754511141006346,
"volume": 562.5869764179325,
"volume_molar": 8.915731478241028,
"formula_full": "Ca2 V8 Ag4 O24",
"formula_reduced": "CaV4(AgO6)2",
"formula_anonymous": "AB2C4D12",
"energy": -290.55873109000004,
"energy_per_atom": -7.6462823971052645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.47073109,
"band_gap": 1.9174,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003018,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.519000Z",
"spacegroup": 125
}
]
}