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=is_magnetic&page=10401",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10399",
"results": [
{
"id": "mp-1028281",
"created_at": "2022-09-04T14:41:25.424011Z",
"structure_string": "Mg14 V1 Sb1\n1.0\n6.329234 0.040544 0.000000\n-3.129505 5.420461 0.000000\n0.000000 0.000000 10.309840\nMg V Sb\n14 1 1\ndirect\n0.166657 0.333328 0.625000 Mg\n0.166401 0.833200 0.625000 Mg\n0.667745 0.332609 0.125000 Mg\n0.666347 0.333423 0.625000 Mg\n0.667745 0.835135 0.125000 Mg\n0.666347 0.832923 0.625000 Mg\n0.332317 0.170378 0.373787 Mg\n0.332317 0.170378 0.876213 Mg\n0.332317 0.661940 0.373787 Mg\n0.332317 0.661940 0.876213 Mg\n0.837832 0.168916 0.373434 Mg\n0.837832 0.168916 0.876566 Mg\n0.831665 0.665833 0.376929 Mg\n0.831665 0.665833 0.873071 Mg\n0.166471 0.333235 0.125000 V\n0.164023 0.832011 0.125000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"V",
"Sb"
],
"chemical_system": "Mg-Sb-V",
"density": 2.3993842131635503,
"density_atomic": 0.045068950533076114,
"volume": 355.01159469550095,
"volume_molar": 13.362061216802351,
"formula_full": "Mg14 V1 Sb1",
"formula_reduced": "Mg14VSb",
"formula_anonymous": "ABC14",
"energy": -35.19647648,
"energy_per_atom": -2.19977978,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.00447648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6608153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.745000Z",
"spacegroup": 38
},
{
"id": "mp-761247",
"created_at": "2022-09-04T14:41:25.465438Z",
"structure_string": "Li8 Co4 Si4 O16\n1.0\n5.030782 0.000000 0.000000\n0.000000 6.303298 0.000000\n0.000000 0.000000 10.822773\nLi Co Si O\n8 4 4 16\ndirect\n0.694753 0.867536 0.091700 Li\n0.191196 0.115659 0.171437 Li\n0.691196 0.615659 0.328563 Li\n0.194753 0.367536 0.408300 Li\n0.805247 0.867536 0.591700 Li\n0.308804 0.115659 0.671437 Li\n0.808804 0.615659 0.828563 Li\n0.305247 0.367536 0.908300 Li\n0.195257 0.861168 0.412355 Co\n0.304743 0.861168 0.912355 Co\n0.695257 0.361168 0.087645 Co\n0.804743 0.361168 0.587645 Co\n0.184429 0.614924 0.163622 Si\n0.684429 0.114924 0.336378 Si\n0.315571 0.614924 0.663622 Si\n0.815571 0.114924 0.836378 Si\n0.292409 0.832509 0.094574 O\n0.288775 0.397828 0.092441 O\n0.855411 0.614658 0.161224 O\n0.794671 0.115367 0.191243 O\n0.294671 0.615367 0.308757 O\n0.355411 0.114658 0.338776 O\n0.788775 0.897828 0.407559 O\n0.792409 0.332509 0.405426 O\n0.207591 0.832509 0.594574 O\n0.211225 0.397828 0.592441 O\n0.644589 0.614658 0.661224 O\n0.705329 0.115367 0.691243 O\n0.205329 0.615367 0.808757 O\n0.144589 0.114658 0.838776 O\n0.711225 0.897828 0.907559 O\n0.707591 0.332509 0.905426 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.191415620834802,
"density_atomic": 0.09324125079144908,
"volume": 343.19573931471365,
"volume_molar": 6.458665782454599,
"formula_full": "Li8 Co4 Si4 O16",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy": -224.83053737,
"energy_per_atom": -7.0259542928125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.28653737,
"band_gap": 2.8296,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0002521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.320000Z",
"spacegroup": 33
},
{
"id": "mp-849245",
"created_at": "2022-09-04T14:41:25.476373Z",
"structure_string": "Ti3 Co2 Ni1 P6 O24\n1.0\n7.327618 -4.318659 0.000000\n7.327618 4.318659 0.000000\n4.782341 0.000000 7.033777\nTi Co Ni P O\n3 2 1 6 24\ndirect\n0.857636 0.857636 0.857636 Ti\n0.644051 0.644051 0.644051 Ti\n0.355066 0.355066 0.355066 Ti\n0.003073 0.003073 0.003073 Co\n0.500938 0.500938 0.500938 Co\n0.142339 0.142339 0.142339 Ni\n0.542824 0.954676 0.247433 P\n0.247433 0.542824 0.954676 P\n0.045193 0.750330 0.454850 P\n0.750330 0.454850 0.045193 P\n0.454850 0.045193 0.750330 P\n0.954676 0.247433 0.542824 P\n0.510013 0.885900 0.675266 O\n0.885900 0.675266 0.510013 O\n0.743899 0.941881 0.089809 O\n0.675266 0.510013 0.885900 O\n0.390766 0.986791 0.184449 O\n0.567395 0.758230 0.410987 O\n0.089809 0.743899 0.941881 O\n0.410987 0.567395 0.758230 O\n0.997718 0.816343 0.618633 O\n0.758230 0.410987 0.567395 O\n0.053606 0.905576 0.260596 O\n0.816343 0.618633 0.997718 O\n0.184449 0.390766 0.986791 O\n0.941881 0.089809 0.743899 O\n0.240309 0.587202 0.445966 O\n0.986791 0.184449 0.390766 O\n0.587202 0.445966 0.240309 O\n0.905576 0.260596 0.053606 O\n0.445966 0.240309 0.587202 O\n0.618633 0.997718 0.816343 O\n0.313614 0.497421 0.119223 O\n0.260596 0.053606 0.905576 O\n0.119223 0.313614 0.497421 O\n0.497421 0.119223 0.313614 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ti",
"Co",
"Ni",
"P",
"O"
],
"chemical_system": "Co-Ni-O-P-Ti",
"density": 3.3197348106391624,
"density_atomic": 0.08086715704775127,
"volume": 445.17454692691064,
"volume_molar": 7.446954956564115,
"formula_full": "Ti3 Co2 Ni1 P6 O24",
"formula_reduced": "Ti3Co2Ni(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -290.40983867,
"energy_per_atom": -8.066939963055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.10483867,
"band_gap": 0.0221,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.588000Z",
"spacegroup": 146
},
{
"id": "mp-5169",
"created_at": "2022-09-04T14:41:25.484094Z",
"structure_string": "Cu8 P4 O18\n1.0\n5.833215 0.010632 -2.368917\n-1.682960 7.345191 -1.220278\n0.032756 0.011283 8.092116\nCu P O\n8 4 18\ndirect\n0.883426 0.104161 0.755588 Cu\n0.404608 0.126917 0.760920 Cu\n0.116574 0.895839 0.244412 Cu\n0.652672 0.381677 0.587839 Cu\n0.347328 0.618323 0.412161 Cu\n0.595392 0.873083 0.239080 Cu\n0.152901 0.671299 0.936515 Cu\n0.847099 0.328701 0.063485 Cu\n0.000040 0.784955 0.580228 P\n0.370481 0.264201 0.151045 P\n0.629519 0.735799 0.848955 P\n0.999960 0.215045 0.419772 P\n0.514118 0.583693 0.668375 O\n0.344224 0.072994 0.190155 O\n0.131273 0.300422 0.025808 O\n0.485882 0.416307 0.331625 O\n0.655776 0.927006 0.809845 O\n0.149918 0.779814 0.464852 O\n0.297319 0.724089 0.200681 O\n0.702681 0.275911 0.799319 O\n0.004460 0.623527 0.673806 O\n0.748335 0.794118 0.465797 O\n0.868727 0.699578 0.974192 O\n0.850082 0.220186 0.535148 O\n0.117214 0.966268 0.739178 O\n0.995540 0.376473 0.326194 O\n0.477674 0.725838 0.963191 O\n0.882786 0.033732 0.260822 O\n0.251665 0.205882 0.534203 O\n0.522326 0.274162 0.036809 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P",
"density": 4.396756022956853,
"density_atomic": 0.0863172583092918,
"volume": 347.5550612660109,
"volume_molar": 6.9767516693144715,
"formula_full": "Cu8 P4 O18",
"formula_reduced": "Cu4P2O9",
"formula_anonymous": "A2B4C9",
"energy": -195.55371998,
"energy_per_atom": -6.518457332666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.18771998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9984511,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.376000Z",
"spacegroup": 2
},
{
"id": "mp-768374",
"created_at": "2022-09-04T14:41:25.258221Z",
"structure_string": "Mn6 Tl6 O18\n1.0\n3.065907 -5.310307 0.000000\n3.065907 5.310307 0.000000\n0.000000 0.000000 12.013444\nMn Tl O\n6 6 18\ndirect\n0.000000 0.665112 0.493562 Mn\n0.000000 0.334888 0.993562 Mn\n0.334888 0.334888 0.493562 Mn\n0.334888 0.000000 0.993562 Mn\n0.665112 0.665112 0.993562 Mn\n0.665112 0.000000 0.493562 Mn\n0.333333 0.666667 0.233200 Tl\n0.000000 0.000000 0.263927 Tl\n0.000000 0.000000 0.763927 Tl\n0.333333 0.666667 0.733200 Tl\n0.666667 0.333333 0.733200 Tl\n0.666667 0.333333 0.233200 Tl\n0.000000 0.683059 0.655229 O\n0.000000 0.649263 0.332111 O\n0.000000 0.350737 0.832111 O\n0.000000 0.316941 0.155229 O\n0.333333 0.666667 0.002294 O\n0.000000 0.000000 0.477639 O\n0.000000 0.000000 0.977639 O\n0.333333 0.666667 0.502294 O\n0.316941 0.316941 0.655229 O\n0.350737 0.350737 0.332111 O\n0.316941 0.000000 0.155229 O\n0.649263 0.649263 0.832111 O\n0.350737 0.000000 0.832111 O\n0.683059 0.683059 0.155229 O\n0.666667 0.333333 0.502294 O\n0.666667 0.333333 0.002294 O\n0.649263 0.000000 0.332111 O\n0.683059 0.000000 0.655229 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"Tl",
"O"
],
"chemical_system": "Mn-O-Tl",
"density": 7.8273436090862,
"density_atomic": 0.07669112780817956,
"volume": 391.17953872103993,
"volume_molar": 7.852460815366577,
"formula_full": "Mn6 Tl6 O18",
"formula_reduced": "MnTlO3",
"formula_anonymous": "ABC3",
"energy": -204.05632446,
"energy_per_atom": -6.801877482,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.68232446,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0150336,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.692000Z",
"spacegroup": 185
},
{
"id": "mp-1218426",
"created_at": "2022-09-04T14:41:25.274141Z",
"structure_string": "Sr3 Mn1 Ru1 O7\n1.0\n-1.975928 1.975928 10.232647\n1.975928 -1.975928 10.232647\n1.975928 1.975928 -10.232647\nSr Mn Ru O\n3 1 1 7\ndirect\n0.686152 0.686152 0.000000 Sr\n0.318972 0.318972 0.000000 Sr\n0.493184 0.493184 0.000000 Sr\n0.899963 0.899963 0.000000 Mn\n0.096849 0.096849 0.000000 Ru\n0.805988 0.805988 0.000000 O\n0.195381 0.195381 0.000000 O\n0.904203 0.404203 0.500000 O\n0.404203 0.904203 0.500000 O\n0.097636 0.597636 0.500000 O\n0.597636 0.097636 0.500000 O\n0.999832 0.999832 0.000000 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ru",
"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.516225748841748,
"density_atomic": 0.07509154352361222,
"volume": 159.80494522964028,
"volume_molar": 8.019732285974868,
"formula_full": "Sr3 Mn1 Ru1 O7",
"formula_reduced": "Sr3MnRuO7",
"formula_anonymous": "ABC3D7",
"energy": -88.08226963,
"energy_per_atom": -7.3401891358333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.60526963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8350624,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.681000Z",
"spacegroup": 107
},
{
"id": "mp-779891",
"created_at": "2022-09-04T14:41:25.278186Z",
"structure_string": "Li6 Mn5 Fe1 B6 O18\n1.0\n3.183307 0.000000 0.000000\n0.000000 8.279692 0.000000\n0.000000 0.009237 14.315932\nLi Mn Fe B O\n6 5 1 6 18\ndirect\n0.500000 0.707483 0.008804 Li\n0.500000 0.660721 0.641505 Li\n0.500000 0.634697 0.349764 Li\n0.500000 0.207165 0.508731 Li\n0.500000 0.158956 0.142277 Li\n0.500000 0.132947 0.849069 Li\n0.000000 0.826329 0.186028 Mn\n0.000000 0.808625 0.820136 Mn\n0.000000 0.365282 0.994179 Mn\n0.000000 0.325738 0.685907 Mn\n0.000000 0.307913 0.320118 Mn\n0.000000 0.862147 0.495963 Fe\n0.500000 0.999317 0.334826 B\n0.000000 0.999993 0.000029 B\n0.500000 0.998900 0.665477 B\n0.500000 0.500192 0.833139 B\n0.000000 0.501021 0.499308 B\n0.500000 0.500109 0.166688 B\n0.500000 0.986946 0.568598 O\n0.500000 0.984758 0.237655 O\n0.500000 0.862745 0.391303 O\n0.500000 0.860131 0.720016 O\n0.000000 0.845675 0.039128 O\n0.500000 0.652239 0.874573 O\n0.500000 0.650258 0.209855 O\n0.000000 0.638960 0.555988 O\n0.000000 0.518476 0.402729 O\n0.500000 0.489698 0.069798 O\n0.500000 0.486090 0.736116 O\n0.500000 0.361829 0.888501 O\n0.500000 0.360163 0.220167 O\n0.000000 0.347755 0.539480 O\n0.500000 0.152766 0.374999 O\n0.500000 0.149633 0.708298 O\n0.000000 0.135723 0.057732 O\n0.000000 0.018625 0.903115 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.190778010185907,
"density_atomic": 0.09540918105516359,
"volume": 377.32217803217026,
"volume_molar": 6.311909077720858,
"formula_full": "Li6 Mn5 Fe1 B6 O18",
"formula_reduced": "Li6Mn5Fe(BO3)6",
"formula_anonymous": "AB5C6D6E18",
"energy": -284.41592289,
"energy_per_atom": -7.9004423025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -261.45392289,
"band_gap": 2.6001000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.0541172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.974000Z",
"spacegroup": 6
},
{
"id": "mp-1065115",
"created_at": "2022-09-04T14:41:47.638305Z",
"structure_string": "Mo2 Pb2\n1.0\n-2.064562 2.064562 4.797991\n2.064562 -2.064562 4.797991\n2.064562 2.064562 -4.797991\nMo Pb\n2 2\ndirect\n0.750000 0.250000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"Pb"
],
"chemical_system": "Mo-Pb",
"density": 12.306854328215538,
"density_atomic": 0.04889728119214969,
"volume": 81.80413925840497,
"volume_molar": 12.31590103411892,
"formula_full": "Mo2 Pb2",
"formula_reduced": "MoPb",
"formula_anonymous": "AB",
"energy": -25.23495015,
"energy_per_atom": -6.3087375375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.23495015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2094751,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.242000Z",
"spacegroup": 141
},
{
"id": "mp-1097432",
"created_at": "2022-09-04T14:41:47.641377Z",
"structure_string": "Hf2 In1 Mo1\n1.0\n-5.220392 5.991354 8.557942\n5.220392 -5.991354 8.557942\n5.220392 5.991354 -8.557942\nHf In Mo\n2 1 1\ndirect\n0.000000 0.221702 0.221702 Hf\n0.000000 0.778298 0.778298 Hf\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"In",
"Mo"
],
"chemical_system": "Hf-In-Mo",
"density": 0.880520830812476,
"density_atomic": 0.003735962987925661,
"volume": 1070.6744185977445,
"volume_molar": 161.1938014231695,
"formula_full": "Hf2 In1 Mo1",
"formula_reduced": "Hf2InMo",
"formula_anonymous": "ABC2",
"energy": -19.74972475,
"energy_per_atom": -4.9374311875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.74972475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4567644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.900000Z",
"spacegroup": 71
},
{
"id": "mp-1079581",
"created_at": "2022-09-04T14:42:00.316532Z",
"structure_string": "Ru1 N6 Cl2\n1.0\n0.000000 4.023487 4.023487\n4.023487 0.000000 4.023487\n4.023487 4.023487 0.000000\nRu N Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ru\n0.757273 0.757273 0.242727 N\n0.242727 0.757273 0.242727 N\n0.757273 0.242727 0.242727 N\n0.242727 0.242727 0.757273 N\n0.757273 0.242727 0.757273 N\n0.242727 0.757273 0.757273 N\n0.750000 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ru",
"N",
"Cl"
],
"chemical_system": "Cl-N-Ru",
"density": 3.2634633638249393,
"density_atomic": 0.0690883318085484,
"volume": 130.26801725275436,
"volume_molar": 8.716581515802169,
"formula_full": "Ru1 N6 Cl2",
"formula_reduced": "Ru(N3Cl)2",
"formula_anonymous": "AB2C6",
"energy": -41.94862606,
"energy_per_atom": -4.660958451111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.55462606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.7808129,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.367000Z",
"spacegroup": 225
},
{
"id": "mp-1273818",
"created_at": "2022-09-04T14:41:51.837105Z",
"structure_string": "K4 Li4 Ni4 O8\n1.0\n5.977314 -0.137690 0.418375\n1.334972 -2.093171 7.508096\n-1.889532 -6.187752 -0.005586\nK Li Ni O\n4 4 4 8\ndirect\n0.657294 0.635309 0.754845 K\n0.657054 0.635153 0.255116 K\n0.342999 0.364899 0.244891 K\n0.342728 0.364747 0.745119 K\n0.347858 0.962760 0.846264 Li\n0.348039 0.962650 0.346177 Li\n0.651983 0.037343 0.153825 Li\n0.652171 0.037250 0.653749 Li\n0.944564 0.207098 0.935160 Ni\n0.055463 0.793108 0.564776 Ni\n0.945345 0.207376 0.435111 Ni\n0.054586 0.792660 0.064858 Ni\n0.277173 0.111511 0.041677 O\n0.277702 0.111077 0.541709 O\n0.722269 0.888919 0.958281 O\n0.722837 0.888412 0.458355 O\n0.235376 0.726808 0.876317 O\n0.235722 0.726545 0.376415 O\n0.764240 0.273312 0.123617 O\n0.764597 0.273063 0.623737 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Li",
"Ni",
"O"
],
"chemical_system": "K-Li-Ni-O",
"density": 3.3072425673255044,
"density_atomic": 0.07283135296102489,
"volume": 274.60700902676956,
"volume_molar": 8.268610310208985,
"formula_full": "K4 Li4 Ni4 O8",
"formula_reduced": "KLiNiO2",
"formula_anonymous": "ABCD2",
"energy": -102.60293957,
"energy_per_atom": -5.1301469785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.94293957,
"band_gap": 2.5945,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.528000Z",
"spacegroup": 12
},
{
"id": "mp-716814",
"created_at": "2022-09-04T14:41:47.665950Z",
"structure_string": "Fe12 O18\n1.0\n2.693764 -4.665736 0.000000\n2.693764 4.665736 0.000000\n0.000000 0.000000 14.810113\nFe O\n12 18\ndirect\n0.025297 0.647677 0.233543 Fe\n0.622380 0.974703 0.233543 Fe\n0.352323 0.377620 0.233543 Fe\n0.387443 0.999996 0.730571 Fe\n0.612553 0.612557 0.730571 Fe\n0.000004 0.387447 0.730571 Fe\n0.000000 0.000000 0.913809 Fe\n0.000000 0.000000 0.079339 Fe\n0.000000 0.000000 0.584190 Fe\n0.333333 0.666667 0.939726 Fe\n0.666667 0.333333 0.940829 Fe\n0.000000 0.000000 0.414664 Fe\n0.309915 0.016686 0.176531 O\n0.706771 0.690085 0.176531 O\n0.983314 0.293229 0.176531 O\n0.641018 0.637129 0.860012 O\n0.996111 0.358982 0.860012 O\n0.362871 0.003889 0.860012 O\n0.005939 0.692252 0.000936 O\n0.307748 0.313686 0.000936 O\n0.686314 0.994061 0.000936 O\n0.998130 0.259049 0.508150 O\n0.740951 0.739081 0.508150 O\n0.260919 0.001870 0.508150 O\n0.000177 0.714792 0.680635 O\n0.285208 0.285385 0.680635 O\n0.714615 0.999823 0.680635 O\n0.702160 0.000414 0.352070 O\n0.298253 0.297840 0.352070 O\n0.999586 0.701747 0.352070 O\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.2737104954535265,
"density_atomic": 0.08058480895897316,
"volume": 372.27860173092193,
"volume_molar": 7.473047138531972,
"formula_full": "Fe12 O18",
"formula_reduced": "Fe2O3",
"formula_anonymous": "A2B3",
"energy": -226.82485334,
"energy_per_atom": -7.560828444666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.38685334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 52.0000046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.373000Z",
"spacegroup": 143
}
]
}