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=-structure_string&page=10247",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=10245",
"results": [
{
"id": "mp-756501",
"created_at": "2022-09-04T14:46:53.549920Z",
"structure_string": "Co2 Te2 O8\n1.0\n-3.028675 3.064490 4.494287\n3.028675 -3.064490 4.494287\n3.028675 3.064490 -4.494287\nCo Te O\n2 2 8\ndirect\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.188143 0.212502 0.975641 O\n0.750999 0.779466 0.528467 O\n0.736861 0.212502 0.524359 O\n0.750999 0.222532 0.971533 O\n0.249001 0.777468 0.028467 O\n0.263139 0.787498 0.475641 O\n0.249001 0.220534 0.471533 O\n0.811857 0.787498 0.024359 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 4.986645950420057,
"density_atomic": 0.07191998215810089,
"volume": 166.85209923468187,
"volume_molar": 8.373390230772854,
"formula_full": "Co2 Te2 O8",
"formula_reduced": "CoTeO4",
"formula_anonymous": "ABC4",
"energy": -75.9702422,
"energy_per_atom": -6.330853516666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.1982422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0002342,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.989000Z",
"spacegroup": 74
},
{
"id": "mp-768381",
"created_at": "2022-09-04T14:47:04.358898Z",
"structure_string": "Co2 Te2 O8\n1.0\n-0.000242 1.611164 -2.638440\n3.380441 4.273588 2.610267\n6.995282 -4.538026 -2.770887\nCo Te O\n2 2 8\ndirect\n0.499999 0.249999 0.250000 Co\n0.499999 0.749998 0.750000 Co\n0.000000 0.999996 0.499997 Te\n0.000000 0.500001 0.000003 Te\n0.000053 0.468272 0.214993 O\n0.000053 0.968273 0.714995 O\n0.999945 0.031725 0.285007 O\n0.999945 0.531724 0.785004 O\n0.500057 0.219840 0.505476 O\n0.500057 0.719839 0.005477 O\n0.499943 0.280160 0.994524 O\n0.499943 0.780162 0.494523 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 5.077649157140572,
"density_atomic": 0.07323247738409906,
"volume": 163.86172404165526,
"volume_molar": 8.223319727959367,
"formula_full": "Co2 Te2 O8",
"formula_reduced": "CoTeO4",
"formula_anonymous": "ABC4",
"energy": -76.39576451,
"energy_per_atom": -6.3663137091666675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.62376451,
"band_gap": 0.7254,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.240000Z",
"spacegroup": 10
},
{
"id": "mp-551806",
"created_at": "2022-09-04T14:39:24.093159Z",
"structure_string": "Co2 Te2 Mo2 O12\n1.0\n5.116115 0.001169 0.000085\n-0.001791 5.331998 -0.000804\n0.000415 -0.000378 9.185935\nCo Te Mo O\n2 2 2 12\ndirect\n0.500015 0.500008 0.525948 Co\n0.000006 0.999962 0.474050 Co\n0.999963 0.499988 0.260335 Te\n0.500041 0.000009 0.739712 Te\n0.499988 0.999962 0.198006 Mo\n0.999995 0.499991 0.801966 Mo\n0.242002 0.815230 0.299689 O\n0.757931 0.184772 0.299708 O\n0.742033 0.684817 0.700317 O\n0.258018 0.315206 0.700319 O\n0.281270 0.820842 0.603694 O\n0.718795 0.179188 0.603722 O\n0.781267 0.679144 0.396338 O\n0.218726 0.320847 0.396312 O\n0.660893 0.791371 0.083529 O\n0.160962 0.708654 0.916431 O\n0.839070 0.291356 0.916417 O\n0.339025 0.208653 0.083507 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Co",
"Te",
"Mo",
"O"
],
"chemical_system": "Co-Mo-O-Te",
"density": 5.0159871406217915,
"density_atomic": 0.0718321442953744,
"volume": 250.58419425687535,
"volume_molar": 8.383629389144929,
"formula_full": "Co2 Te2 Mo2 O12",
"formula_reduced": "CoTeMoO6",
"formula_anonymous": "ABCD6",
"energy": -131.68560848,
"energy_per_atom": -7.315867137777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.76160848,
"band_gap": 1.8473,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.207000Z",
"spacegroup": 18
},
{
"id": "mp-1181717",
"created_at": "2022-09-04T14:47:28.897115Z",
"structure_string": "Co2 Te2 Mo2\n1.0\n4.459082 0.000000 0.000000\n0.000000 4.459082 0.000000\n0.000000 0.000000 5.550076\nCo Te Mo\n2 2 2\ndirect\n0.500000 0.000000 0.725798 Co\n0.000000 0.500000 0.274202 Co\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Te",
"Mo"
],
"chemical_system": "Co-Mo-Te",
"density": 8.500930927646722,
"density_atomic": 0.05437025908424772,
"volume": 110.35444930845169,
"volume_molar": 11.076167120463012,
"formula_full": "Co2 Te2 Mo2",
"formula_reduced": "CoTeMo",
"formula_anonymous": "ABC",
"energy": -39.39402614,
"energy_per_atom": -6.5656710233333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.39402614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8922605,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.514000Z",
"spacegroup": 129
},
{
"id": "mp-1077563",
"created_at": "2022-09-04T14:39:17.287017Z",
"structure_string": "Co2 Te2 Mo2\n1.0\n3.792298 0.000000 0.000000\n0.000000 4.830857 0.000000\n0.000000 0.000000 5.883992\nCo Te Mo\n2 2 2\ndirect\n0.000000 0.500000 0.251093 Co\n0.500000 0.000000 0.748907 Co\n0.500000 0.500000 0.951609 Te\n0.000000 0.000000 0.048391 Te\n0.500000 0.500000 0.500209 Mo\n0.000000 0.000000 0.499791 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Te",
"Mo"
],
"chemical_system": "Co-Mo-Te",
"density": 8.702772340243818,
"density_atomic": 0.05566119651101171,
"volume": 107.79502375255251,
"volume_molar": 10.819280104423578,
"formula_full": "Co2 Te2 Mo2",
"formula_reduced": "CoTeMo",
"formula_anonymous": "ABC",
"energy": -39.64102293,
"energy_per_atom": -6.606837155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.64102293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036345,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.502000Z",
"spacegroup": 59
},
{
"id": "mp-788",
"created_at": "2022-09-04T14:41:21.802298Z",
"structure_string": "Co2 Te2\n1.0\n1.954606 -3.385476 0.000000\n1.954606 3.385476 0.000000\n0.000000 0.000000 5.303518\nCo Te\n2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Te"
],
"chemical_system": "Co-Te",
"density": 8.82596523302224,
"density_atomic": 0.056988467917996104,
"volume": 70.18963916973209,
"volume_molar": 10.567297174343404,
"formula_full": "Co2 Te2",
"formula_reduced": "CoTe",
"formula_anonymous": "AB",
"energy": -21.60575957,
"energy_per_atom": -5.4014398925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.76175957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061255,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.563000Z",
"spacegroup": 194
},
{
"id": "mp-1198962",
"created_at": "2022-09-04T14:44:24.371694Z",
"structure_string": "Co2 Te12 O26\n1.0\n7.103254 -5.156705 0.000000\n7.103254 5.156705 0.000000\n3.359672 0.000000 8.109280\nCo Te O\n2 12 26\ndirect\n0.756828 0.756828 0.756828 Co\n0.243172 0.243172 0.243172 Co\n0.833422 0.512003 0.441198 Te\n0.441198 0.833422 0.512003 Te\n0.512003 0.441198 0.833422 Te\n0.166578 0.487997 0.558802 Te\n0.558802 0.166578 0.487997 Te\n0.487997 0.558802 0.166578 Te\n0.969835 0.078581 0.676371 Te\n0.676371 0.969836 0.078581 Te\n0.078581 0.676371 0.969835 Te\n0.030165 0.921419 0.323629 Te\n0.323629 0.030165 0.921419 Te\n0.921419 0.323629 0.030165 Te\n0.896682 0.579236 0.603276 O\n0.603276 0.896682 0.579236 O\n0.579236 0.603276 0.896682 O\n0.103318 0.420764 0.396724 O\n0.396724 0.103318 0.420764 O\n0.420764 0.396724 0.103318 O\n0.863719 0.953500 0.619157 O\n0.619157 0.863719 0.953500 O\n0.953500 0.619157 0.863719 O\n0.136281 0.046500 0.380843 O\n0.380843 0.136281 0.046500 O\n0.046500 0.380843 0.136281 O\n0.586522 0.586522 0.586522 O\n0.413478 0.413478 0.413478 O\n0.803537 0.298500 0.553125 O\n0.553125 0.803537 0.298500 O\n0.298500 0.553125 0.803537 O\n0.196463 0.701500 0.446875 O\n0.446875 0.196463 0.701500 O\n0.701500 0.446875 0.196463 O\n0.115183 0.876233 0.800740 O\n0.800740 0.115183 0.876233 O\n0.876233 0.800740 0.115183 O\n0.884817 0.123767 0.199260 O\n0.199260 0.884817 0.123767 O\n0.123767 0.199260 0.884817 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Co",
"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 5.772154024312022,
"density_atomic": 0.06733146555648643,
"volume": 594.0758851660933,
"volume_molar": 8.944021506479523,
"formula_full": "Co2 Te12 O26",
"formula_reduced": "CoTe6O13",
"formula_anonymous": "AB6C13",
"energy": -239.5821227,
"energy_per_atom": -5.9895530675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.4441227,
"band_gap": 2.716,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.704000Z",
"spacegroup": 148
},
{
"id": "mp-865733",
"created_at": "2022-09-04T14:48:25.809170Z",
"structure_string": "Co2 Tc6\n1.0\n2.689010 -4.657501 0.000000\n2.689010 4.657501 0.000000\n0.000000 0.000000 4.302991\nCo Tc\n2 6\ndirect\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.167107 0.334214 0.250000 Tc\n0.665786 0.832893 0.250000 Tc\n0.167107 0.832893 0.250000 Tc\n0.832893 0.665786 0.750000 Tc\n0.334214 0.167107 0.750000 Tc\n0.832893 0.167107 0.750000 Tc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"Tc"
],
"chemical_system": "Co-Tc",
"density": 10.874913051449242,
"density_atomic": 0.07422396997394422,
"volume": 107.7818931378683,
"volume_molar": 8.113471648194013,
"formula_full": "Co2 Tc6",
"formula_reduced": "CoTc3",
"formula_anonymous": "AB3",
"energy": -76.88018448,
"energy_per_atom": -9.61002306,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.88018448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0351555,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:38.681000Z",
"spacegroup": 194
},
{
"id": "mp-20155",
"created_at": "2022-09-04T14:44:05.081781Z",
"structure_string": "Co2 Sn4\n1.0\n-3.189908 3.189908 2.735438\n3.189908 -3.189908 2.735438\n3.189908 3.189908 -2.735438\nCo Sn\n2 4\ndirect\n0.750000 0.750000 0.000000 Co\n0.250000 0.250000 0.000000 Co\n0.666150 0.166150 0.832300 Sn\n0.333850 0.833850 0.167700 Sn\n0.833850 0.666150 0.500000 Sn\n0.166150 0.333850 0.500000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"Sn"
],
"chemical_system": "Co-Sn",
"density": 8.839862794451069,
"density_atomic": 0.053889985629142406,
"volume": 111.33794024905704,
"volume_molar": 11.174879135138182,
"formula_full": "Co2 Sn4",
"formula_reduced": "CoSn2",
"formula_anonymous": "AB2",
"energy": -30.61592764,
"energy_per_atom": -5.1026546066666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.61592764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002344,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.843000Z",
"spacegroup": 140
},
{
"id": "mp-1193842",
"created_at": "2022-09-04T14:41:45.148688Z",
"structure_string": "Co2 Sn2 O12 F12\n1.0\n7.044905 0.111471 -0.697272\n-3.698574 -6.456038 -4.068622\n-3.867935 6.352695 -4.032903\nCo Sn O F\n2 2 12 12\ndirect\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.499188 0.247743 0.748591 Sn\n0.500812 0.752257 0.251409 Sn\n0.731495 0.487658 0.481060 O\n0.268505 0.512342 0.518940 O\n0.296098 0.049576 0.056256 O\n0.703902 0.950424 0.943744 O\n0.037220 0.669959 0.391509 O\n0.962780 0.330041 0.608491 O\n0.939221 0.936597 0.763177 O\n0.060779 0.063403 0.236823 O\n0.065715 0.234600 0.035798 O\n0.934285 0.765400 0.964202 O\n0.888370 0.319144 0.292611 O\n0.111630 0.680856 0.707389 O\n0.845002 0.335340 0.828169 F\n0.154998 0.664660 0.171831 F\n0.154035 0.159730 0.668635 F\n0.845965 0.840270 0.331365 F\n0.547830 0.503638 0.783512 F\n0.452170 0.496362 0.216488 F\n0.439674 0.218895 0.488564 F\n0.560326 0.781105 0.511436 F\n0.577218 0.288466 0.011788 F\n0.422782 0.711534 0.988212 F\n0.429265 0.986132 0.702386 F\n0.570735 0.013868 0.297614 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Co",
"Sn",
"O",
"F"
],
"chemical_system": "Co-F-O-Sn",
"density": 3.2232137404250505,
"density_atomic": 0.07010526686805546,
"volume": 399.39937826210075,
"volume_molar": 8.590140269110195,
"formula_full": "Co2 Sn2 O12 F12",
"formula_reduced": "CoSn(OF)6",
"formula_anonymous": "ABC6D6",
"energy": -128.05419725,
"energy_per_atom": -4.573364187499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.99019725,
"band_gap": 0.1727000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.9935385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.189000Z",
"spacegroup": 2
},
{
"id": "mp-1245825",
"created_at": "2022-09-04T14:47:38.318526Z",
"structure_string": "Co2 Sn2 N2\n1.0\n3.050714 0.000000 0.000000\n-1.525357 2.636418 0.000000\n0.000000 0.000000 11.774627\nCo Sn N\n2 2 2\ndirect\n0.663689 0.327377 0.730380 Co\n0.336311 0.672623 0.230380 Co\n0.998730 0.997460 0.427024 Sn\n0.001270 0.002540 0.927024 Sn\n0.329731 0.659463 0.687236 N\n0.670269 0.340537 0.187236 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Sn",
"N"
],
"chemical_system": "Co-N-Sn",
"density": 6.720858583084533,
"density_atomic": 0.06335608443100293,
"volume": 94.7028222132985,
"volume_molar": 9.505228762295639,
"formula_full": "Co2 Sn2 N2",
"formula_reduced": "CoSnN",
"formula_anonymous": "ABC",
"energy": -37.79830568,
"energy_per_atom": -6.299717613333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.07630568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.830000Z",
"spacegroup": 186
},
{
"id": "mp-1340191",
"created_at": "2022-09-04T14:48:09.123911Z",
"structure_string": "Co2 Si4 O12\n1.0\n4.292188 4.745655 0.000000\n-4.292188 4.745655 0.000000\n0.000000 1.825239 5.013855\nCo Si O\n2 4 12\ndirect\n0.899572 0.100428 0.500000 Co\n0.093256 0.906744 0.000000 Co\n0.790339 0.618311 0.489140 Si\n0.213386 0.388156 0.002567 Si\n0.381689 0.209661 0.510860 Si\n0.611844 0.786614 0.997433 Si\n0.361767 0.350127 0.218326 O\n0.909565 0.378009 0.525694 O\n0.186192 0.031671 0.627912 O\n0.633146 0.643036 0.288131 O\n0.090435 0.625203 0.968459 O\n0.814754 0.958812 0.893608 O\n0.621991 0.090435 0.474306 O\n0.968329 0.813808 0.372088 O\n0.356964 0.366854 0.711869 O\n0.649873 0.638233 0.781674 O\n0.041188 0.185246 0.106392 O\n0.374797 0.909565 0.031541 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Si",
"O"
],
"chemical_system": "Co-O-Si",
"density": 3.4323525231513505,
"density_atomic": 0.08812433255127286,
"volume": 204.25686616720947,
"volume_molar": 6.833686662530095,
"formula_full": "Co2 Si4 O12",
"formula_reduced": "Co(SiO3)2",
"formula_anonymous": "AB2C6",
"energy": -137.37744078,
"energy_per_atom": -7.632080043333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.85744078,
"band_gap": 0.1536999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.986000Z",
"spacegroup": 5
}
]
}