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_full&page=10152",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10150",
"results": [
{
"id": "mp-16735",
"created_at": "2022-09-04T14:40:59.294595Z",
"structure_string": "Cr1 In1 Co2\n1.0\n0.000000 2.989245 2.989245\n2.989245 0.000000 2.989245\n2.989245 2.989245 0.000000\nCr In Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"In",
"Co"
],
"chemical_system": "Co-Cr-In",
"density": 8.848960815969404,
"density_atomic": 0.07487648715499681,
"volume": 53.421309572387756,
"volume_molar": 8.042766145711362,
"formula_full": "Cr1 In1 Co2",
"formula_reduced": "CrInCo2",
"formula_anonymous": "ABC2",
"energy": -25.82672056,
"energy_per_atom": -6.45668014,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.82672056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.115169,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.817000Z",
"spacegroup": 225
},
{
"id": "mp-1214385",
"created_at": "2022-09-04T14:42:04.469670Z",
"structure_string": "Cr1 I7 N6\n1.0\n6.103361 7.029370 0.000000\n-6.103361 7.029370 0.000000\n0.000000 0.320248 6.979432\nCr I N\n1 7 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.673336 0.673336 0.718660 I\n0.326664 0.326664 0.281340 I\n0.500000 0.500000 0.500000 I\n0.080750 0.080750 0.346376 I\n0.919250 0.919250 0.653624 I\n0.244621 0.244621 0.786182 I\n0.755379 0.755379 0.213818 I\n0.309281 0.746626 0.054071 N\n0.690719 0.253374 0.945929 N\n0.253374 0.690719 0.945929 N\n0.746626 0.309281 0.054071 N\n0.117152 0.117152 0.904052 N\n0.882848 0.882848 0.095948 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"I",
"N"
],
"chemical_system": "Cr-I-N",
"density": 2.8403338462773973,
"density_atomic": 0.02337720029488641,
"volume": 598.8741091063157,
"volume_molar": 25.760744161127363,
"formula_full": "Cr1 I7 N6",
"formula_reduced": "CrI7N6",
"formula_anonymous": "AB6C7",
"energy": -70.73497045,
"energy_per_atom": -5.052497889285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.91597045,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.016522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.230000Z",
"spacegroup": 12
},
{
"id": "mp-27215",
"created_at": "2022-09-04T14:43:36.319934Z",
"structure_string": "Cr1 I2\n1.0\n1.973483 3.935452 0.000000\n-1.973483 3.935452 0.000000\n0.000000 3.472495 7.313896\nCr I\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.276363 0.276363 0.223262 I\n0.723637 0.723637 0.776738 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"I"
],
"chemical_system": "Cr-I",
"density": 4.469788261026912,
"density_atomic": 0.02640672052161259,
"volume": 113.60744313344964,
"volume_molar": 22.80533379777764,
"formula_full": "Cr1 I2",
"formula_reduced": "CrI2",
"formula_anonymous": "AB2",
"energy": -14.37301011,
"energy_per_atom": -4.791003369999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.61501011,
"band_gap": 0.2568000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0028545,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.179000Z",
"spacegroup": 12
},
{
"id": "mp-1206053",
"created_at": "2022-09-04T14:43:59.496103Z",
"structure_string": "Cr1 Hg3 F6\n1.0\n-2.792572 -4.675277 0.837383\n-4.948204 6.230372 -0.873176\n0.976249 2.401505 -11.922152\nCr Hg F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.943886 0.196415 0.896495 F\n0.056114 0.803585 0.103505 F\n0.924230 0.968482 0.650658 F\n0.075770 0.031518 0.349342 F\n0.694652 0.844990 0.904972 F\n0.305348 0.155010 0.095028 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"Hg",
"F"
],
"chemical_system": "Cr-F-Hg",
"density": 2.733902630969026,
"density_atomic": 0.021444228817066615,
"volume": 466.3259325064371,
"volume_molar": 28.082804055920235,
"formula_full": "Cr1 Hg3 F6",
"formula_reduced": "CrHg3F6",
"formula_anonymous": "AB3C6",
"energy": -39.04276647,
"energy_per_atom": -3.9042766469999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.27176647,
"band_gap": 1.0604,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9652803,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.580000Z",
"spacegroup": 2
},
{
"id": "mp-1237300",
"created_at": "2022-09-04T14:45:33.635269Z",
"structure_string": "Cr1 Hg3 F6\n1.0\n-2.935762 -4.938293 1.023992\n-3.428634 5.378744 -0.428745\n0.993595 2.823916 -7.460200\nCr Hg F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.081666 0.232272 0.787427 F\n0.918334 0.767728 0.212573 F\n0.812038 0.762499 0.662733 F\n0.187962 0.237501 0.337267 F\n0.571392 0.888644 0.854305 F\n0.428608 0.111356 0.145695 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"Hg",
"F"
],
"chemical_system": "Cr-F-Hg",
"density": 5.6094025537927505,
"density_atomic": 0.043999120717746,
"volume": 227.2772691106697,
"volume_molar": 13.686957061328531,
"formula_full": "Cr1 Hg3 F6",
"formula_reduced": "CrHg3F6",
"formula_anonymous": "AB3C6",
"energy": -39.3832622,
"energy_per_atom": -3.9383262199999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.6122622,
"band_gap": 0.1584999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.000188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.015000Z",
"spacegroup": 2
},
{
"id": "mp-1183693",
"created_at": "2022-09-04T14:47:08.335570Z",
"structure_string": "Cr1 Hg3\n1.0\n4.439138 0.000000 0.000000\n0.000000 4.439138 0.000000\n0.000000 0.000000 4.439138\nCr Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"Hg"
],
"chemical_system": "Cr-Hg",
"density": 12.410107858552896,
"density_atomic": 0.04572608851808907,
"volume": 87.47741452710557,
"volume_molar": 13.170032590077465,
"formula_full": "Cr1 Hg3",
"formula_reduced": "CrHg3",
"formula_anonymous": "AB3",
"energy": -9.11806076,
"energy_per_atom": -2.27951519,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.11806076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2084204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.880000Z",
"spacegroup": 221
},
{
"id": "mp-558864",
"created_at": "2022-09-04T14:42:19.195089Z",
"structure_string": "Cr1 Hg1 F6\n1.0\n5.086598 -2.643114 0.000000\n5.086598 2.643114 0.000000\n3.713175 0.000000 4.367134\nCr Hg F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Hg\n0.931092 0.210167 0.636036 F\n0.210167 0.636036 0.931092 F\n0.363964 0.068908 0.789833 F\n0.789833 0.363964 0.068908 F\n0.068908 0.789833 0.363964 F\n0.636036 0.931092 0.210167 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Hg",
"F"
],
"chemical_system": "Cr-F-Hg",
"density": 5.183748417046818,
"density_atomic": 0.06812714073623326,
"volume": 117.42750265967376,
"volume_molar": 8.839561876397871,
"formula_full": "Cr1 Hg1 F6",
"formula_reduced": "CrHgF6",
"formula_anonymous": "ABC6",
"energy": -39.9127349,
"energy_per_atom": -4.9890918625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.1417349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.594000Z",
"spacegroup": 148
},
{
"id": "mp-24528",
"created_at": "2022-09-04T14:41:29.730140Z",
"structure_string": "Cr1 H8 C4 S4 N6\n1.0\n4.111644 0.000000 0.000000\n-1.281834 7.536733 0.000000\n-1.881695 -0.834876 10.096488\nCr H C S N\n1 8 4 4 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.330491 0.916541 0.283418 H\n0.669509 0.083459 0.716582 H\n0.496293 0.767692 0.391249 H\n0.503707 0.232308 0.608751 H\n0.566852 0.466462 0.126112 H\n0.433148 0.533538 0.873888 H\n0.620494 0.501255 0.297322 H\n0.379506 0.498745 0.702678 H\n0.439144 0.699178 0.191389 C\n0.560856 0.300822 0.808611 C\n0.950547 0.823504 0.711511 C\n0.049453 0.176496 0.288489 C\n0.336304 0.762791 0.032375 S\n0.663696 0.237209 0.967625 S\n0.977087 0.714330 0.577097 S\n0.022913 0.285670 0.422903 S\n0.411694 0.798782 0.297205 N\n0.588306 0.201218 0.702795 N\n0.553091 0.546425 0.206566 N\n0.446909 0.453575 0.793434 N\n0.932901 0.904426 0.811310 N\n0.067099 0.095574 0.188690 N\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Cr",
"H",
"C",
"S",
"N"
],
"chemical_system": "C-Cr-H-N-S",
"density": 1.700498244079468,
"density_atomic": 0.07351210648805613,
"volume": 312.8736353615023,
"volume_molar": 8.19203944452122,
"formula_full": "Cr1 H8 C4 S4 N6",
"formula_reduced": "CrH8C4(S2N3)2",
"formula_anonymous": "AB4C4D6E8",
"energy": -147.88043518,
"energy_per_atom": -6.42958413826087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.70243518,
"band_gap": 1.1525,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0009153,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.740000Z",
"spacegroup": 2
},
{
"id": "mp-1226401",
"created_at": "2022-09-04T14:47:27.004263Z",
"structure_string": "Cr1 H8 C4 N1 O10\n1.0\n-3.419663 -3.630151 0.074829\n-3.419663 3.630151 0.074829\n-0.185152 0.000000 -10.455901\nCr H C N O\n1 8 4 1 10\ndirect\n0.499763 0.499763 0.499894 Cr\n0.953507 0.725980 0.597890 H\n0.725980 0.953507 0.597890 H\n0.047609 0.274570 0.401275 H\n0.274570 0.047609 0.401275 H\n0.133729 0.133729 0.961729 H\n0.898647 0.898647 0.915987 H\n0.079362 0.847842 0.047378 H\n0.847842 0.079362 0.047378 H\n0.741102 0.526467 0.255245 C\n0.526467 0.741102 0.255245 C\n0.259082 0.473580 0.744785 C\n0.473580 0.259082 0.744785 C\n0.990932 0.990932 0.993644 N\n0.754487 0.392633 0.363183 O\n0.392633 0.754487 0.363183 O\n0.244922 0.607736 0.637082 O\n0.607736 0.244922 0.637082 O\n0.782737 0.782737 0.557976 O\n0.216372 0.216372 0.442648 O\n0.883574 0.493445 0.161254 O\n0.493445 0.883574 0.161254 O\n0.116719 0.503202 0.838970 O\n0.503202 0.116719 0.838970 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Cr",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Cr-H-N-O",
"density": 1.8038037246649103,
"density_atomic": 0.09241522691785879,
"volume": 259.69746329067465,
"volume_molar": 6.516394495630731,
"formula_full": "Cr1 H8 C4 N1 O10",
"formula_reduced": "CrH8C4NO10",
"formula_anonymous": "ABC4D8E10",
"energy": -164.491728,
"energy_per_atom": -6.853822,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.261728,
"band_gap": 3.2492,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0003633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.581000Z",
"spacegroup": 8
},
{
"id": "mp-1226463",
"created_at": "2022-09-04T14:48:15.149873Z",
"structure_string": "Cr1 H5 O4\n1.0\n3.092893 0.000000 0.000000\n0.000000 4.365478 0.000000\n0.000000 1.157454 5.745653\nCr H O\n1 5 4\ndirect\n0.500000 0.952205 0.543489 Cr\n0.259169 0.369409 0.785828 H\n0.740831 0.369409 0.785828 H\n0.500000 0.946635 0.082061 H\n0.000000 0.425484 0.474924 H\n0.500000 0.581935 0.213924 H\n0.000000 0.672280 0.671628 O\n0.000000 0.233190 0.405025 O\n0.500000 0.202341 0.819743 O\n0.500000 0.798312 0.234617 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-O",
"density": 2.5907066352284143,
"density_atomic": 0.12890326166663965,
"volume": 77.57755599591638,
"volume_molar": 4.671829620241905,
"formula_full": "Cr1 H5 O4",
"formula_reduced": "CrH5O4",
"formula_anonymous": "AB4C5",
"energy": -60.68065323,
"energy_per_atom": -6.068065323,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.93365323,
"band_gap": 2.6506,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000491,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.932000Z",
"spacegroup": 6
},
{
"id": "mp-1106046",
"created_at": "2022-09-04T14:43:40.620274Z",
"structure_string": "Cr1 H4 C4 N1 O10\n1.0\n3.736243 3.441251 0.000000\n-3.736243 3.441251 0.000000\n0.000000 0.318698 10.320538\nCr H C N O\n1 4 4 1 10\ndirect\n0.500000 0.500000 0.500000 Cr\n0.951684 0.732512 0.399030 H\n0.732512 0.951684 0.399030 H\n0.048316 0.267488 0.600970 H\n0.267488 0.048316 0.600970 H\n0.738587 0.523534 0.745373 C\n0.523534 0.738587 0.745373 C\n0.261413 0.476466 0.254627 C\n0.476466 0.261413 0.254627 C\n0.000000 0.000000 0.000000 N\n0.744520 0.394503 0.636143 O\n0.394503 0.744520 0.636143 O\n0.255480 0.605497 0.363857 O\n0.605497 0.255480 0.363857 O\n0.879136 0.498780 0.837921 O\n0.498780 0.879136 0.837921 O\n0.120864 0.501220 0.162079 O\n0.501220 0.120864 0.162079 O\n0.784939 0.784939 0.439916 O\n0.215061 0.215061 0.560084 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Cr",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Cr-H-N-O",
"density": 1.739889072546875,
"density_atomic": 0.07536092106201844,
"volume": 265.3895376828125,
"volume_molar": 7.991065760786106,
"formula_full": "Cr1 H4 C4 N1 O10",
"formula_reduced": "CrH4C4NO10",
"formula_anonymous": "ABC4D4E10",
"energy": -140.39451577,
"energy_per_atom": -7.0197257885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.52551577,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9933811,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.391000Z",
"spacegroup": 12
},
{
"id": "mp-23830",
"created_at": "2022-09-04T14:41:08.795052Z",
"structure_string": "Cr1 H36 C12 S6 Cl3 O6\n1.0\n7.940861 -5.372628 0.000000\n7.940861 5.372628 0.000000\n4.305848 0.000000 8.566333\nCr H C S Cl O\n1 36 12 6 3 6\ndirect\n0.500000 0.500000 0.500000 Cr\n0.199011 0.402542 0.925496 H\n0.925496 0.199011 0.402542 H\n0.402542 0.925496 0.199011 H\n0.800989 0.597458 0.074504 H\n0.074504 0.800989 0.597458 H\n0.597458 0.074504 0.800989 H\n0.073216 0.288794 0.955190 H\n0.955190 0.073216 0.288794 H\n0.288794 0.955190 0.073216 H\n0.926784 0.711206 0.044810 H\n0.044810 0.926784 0.711206 H\n0.711206 0.044810 0.926784 H\n0.027605 0.494509 0.849400 H\n0.849400 0.027605 0.494509 H\n0.494509 0.849400 0.027605 H\n0.359134 0.009573 0.566712 H\n0.972395 0.505491 0.150600 H\n0.505491 0.150600 0.972395 H\n0.990427 0.433288 0.640866 H\n0.640866 0.990427 0.433288 H\n0.433288 0.640866 0.990427 H\n0.009573 0.566712 0.359134 H\n0.698180 0.475308 0.865495 H\n0.475308 0.865495 0.698180 H\n0.865495 0.698180 0.475308 H\n0.301820 0.524692 0.134505 H\n0.524692 0.134505 0.301820 H\n0.134505 0.301820 0.524692 H\n0.775703 0.270585 0.958074 H\n0.270585 0.958074 0.775703 H\n0.958074 0.775703 0.270585 H\n0.224297 0.729415 0.041926 H\n0.729415 0.041926 0.224297 H\n0.041926 0.224297 0.729415 H\n0.566712 0.359134 0.009573 H\n0.150600 0.972395 0.505491 H\n0.083652 0.323608 0.641028 C\n0.641028 0.083652 0.323608 C\n0.323608 0.641028 0.083652 C\n0.916348 0.676392 0.358972 C\n0.612465 0.124119 0.879060 C\n0.124119 0.879060 0.612465 C\n0.879060 0.612465 0.124119 C\n0.387535 0.875881 0.120940 C\n0.875881 0.120940 0.387535 C\n0.120940 0.387535 0.875881 C\n0.358972 0.916348 0.676392 C\n0.676392 0.358972 0.916348 C\n0.235762 0.333693 0.698792 S\n0.698792 0.235762 0.333693 S\n0.333693 0.698792 0.235762 S\n0.764238 0.666307 0.301208 S\n0.301208 0.764238 0.666307 S\n0.666307 0.301208 0.764238 S\n0.253424 0.253424 0.253424 Cl\n0.746576 0.746576 0.746576 Cl\n0.000000 0.000000 0.000000 Cl\n0.279341 0.485287 0.581893 O\n0.581893 0.279341 0.485287 O\n0.485287 0.581893 0.279341 O\n0.720659 0.514713 0.418107 O\n0.418107 0.720659 0.514713 O\n0.514713 0.418107 0.720659 O\n",
"nsites": 64,
"nelements": 6,
"elements": [
"Cr",
"H",
"C",
"S",
"Cl",
"O"
],
"chemical_system": "C-Cl-Cr-H-O-S",
"density": 1.4247713888040257,
"density_atomic": 0.08755897328763569,
"volume": 730.9359349127672,
"volume_molar": 6.877811072792004,
"formula_full": "Cr1 H36 C12 S6 Cl3 O6",
"formula_reduced": "CrH36C12S6(ClO2)3",
"formula_anonymous": "AB3C6D6E12F36",
"energy": -330.87640723000004,
"energy_per_atom": -5.169943862968751,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.91340723,
"band_gap": 2.6428,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9990303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.561000Z",
"spacegroup": 148
}
]
}