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=12180",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12178",
"results": [
{
"id": "mp-1573005",
"created_at": "2022-09-04T14:46:28.741297Z",
"structure_string": "Ca2 V8 O12\n1.0\n3.097230 0.000005 0.000023\n1.548623 5.106907 0.027354\n0.000110 0.082009 15.367241\nCa V O\n2 8 12\ndirect\n0.348742 0.302323 0.748775 Ca\n0.651292 0.697559 0.251181 Ca\n0.863144 0.273678 0.540603 V\n0.597535 0.804785 0.635002 V\n0.401282 0.197536 0.132834 V\n0.598698 0.802425 0.866963 V\n0.136559 0.727025 0.045330 V\n0.863546 0.272934 0.954744 V\n0.136789 0.726507 0.459343 V\n0.402512 0.195029 0.365255 V\n0.499976 0.000073 0.499978 O\n0.499989 0.000085 0.000132 O\n0.679058 0.641586 0.751074 O\n0.321175 0.357856 0.248860 O\n0.972258 0.055101 0.839964 O\n0.027491 0.945120 0.159964 O\n0.028776 0.942684 0.342455 O\n0.971250 0.057416 0.657525 O\n0.222831 0.554345 0.914058 O\n0.777199 0.445875 0.085911 O\n0.774925 0.450186 0.410236 O\n0.224963 0.549872 0.589816 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 4.643435447106839,
"density_atomic": 0.0905123819014041,
"volume": 243.06066792016134,
"volume_molar": 6.653388888340127,
"formula_full": "Ca2 V8 O12",
"formula_reduced": "CaV4O6",
"formula_anonymous": "AB4C6",
"energy": -191.24551472,
"energy_per_atom": -8.692977941818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.40151472,
"band_gap": 0.3440000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.937401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.250000Z",
"spacegroup": 12
},
{
"id": "mp-1777514",
"created_at": "2022-09-04T14:46:23.526538Z",
"structure_string": "Ca2 Ag2 F10\n1.0\n5.463438 0.020253 -1.998368\n-2.254284 5.245460 -0.694778\n-0.050628 0.073089 8.120322\nCa Ag F\n2 2 10\ndirect\n0.287768 0.541319 0.745849 Ca\n0.708683 0.457473 0.250027 Ca\n0.997391 0.997859 0.998267 Ag\n0.499376 0.998846 0.498569 Ag\n0.357577 0.099524 0.255887 F\n0.640443 0.899615 0.740283 F\n0.593018 0.739069 0.372408 F\n0.862615 0.210841 0.120217 F\n0.718128 0.673869 0.021184 F\n0.146216 0.695417 0.468974 F\n0.273596 0.320770 0.972985 F\n0.848951 0.305070 0.526483 F\n0.128239 0.781019 0.876496 F\n0.404284 0.260186 0.625201 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"F"
],
"chemical_system": "Ag-Ca-F",
"density": 3.46033264644152,
"density_atomic": 0.06004418504640236,
"volume": 233.1616290433578,
"volume_molar": 10.029515356642891,
"formula_full": "Ca2 Ag2 F10",
"formula_reduced": "CaAgF5",
"formula_anonymous": "ABC5",
"energy": -64.23081022,
"energy_per_atom": -4.587915015714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.61081022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0073628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.460000Z",
"spacegroup": 2
},
{
"id": "mp-21125",
"created_at": "2022-09-04T14:46:30.323301Z",
"structure_string": "Lu4 Mn4 O12\n1.0\n5.241762 0.000000 0.000000\n0.000000 5.774885 0.000000\n0.000000 0.000000 7.443986\nLu Mn O\n4 4 12\ndirect\n0.020724 0.916523 0.750000 Lu\n0.520724 0.583477 0.250000 Lu\n0.479276 0.416523 0.750000 Lu\n0.979276 0.083477 0.250000 Lu\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.696691 0.327367 0.437857 O\n0.196691 0.172633 0.562143 O\n0.803309 0.827367 0.062143 O\n0.303309 0.672633 0.937857 O\n0.303309 0.672633 0.562143 O\n0.803309 0.827367 0.437857 O\n0.196691 0.172633 0.937857 O\n0.696691 0.327367 0.062143 O\n0.130914 0.449678 0.250000 O\n0.630914 0.050322 0.750000 O\n0.369086 0.949678 0.250000 O\n0.869086 0.550322 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Lu",
"Mn",
"O"
],
"chemical_system": "Lu-Mn-O",
"density": 8.19174681149193,
"density_atomic": 0.08875724424544525,
"volume": 225.3337197434038,
"volume_molar": 6.7849568913458445,
"formula_full": "Lu4 Mn4 O12",
"formula_reduced": "LuMnO3",
"formula_anonymous": "ABC3",
"energy": -175.31234302999997,
"energy_per_atom": -8.765617151499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.39634303,
"band_gap": 0.4481999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0016329,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.695000Z",
"spacegroup": 62
},
{
"id": "mp-1226415",
"created_at": "2022-09-04T14:46:23.530302Z",
"structure_string": "Co4 Mo4 O19\n1.0\n6.872225 0.000000 0.000000\n1.801199 6.706569 0.000000\n1.422962 1.817950 9.140708\nCo Mo O\n4 4 19\ndirect\n0.832940 0.350477 0.307024 Co\n0.165617 0.648253 0.693072 Co\n0.803924 0.167827 0.031841 Co\n0.199839 0.828521 0.967005 Co\n0.757749 0.701930 0.945683 Mo\n0.242762 0.297510 0.054428 Mo\n0.989053 0.805928 0.320164 Mo\n0.011329 0.193880 0.678851 Mo\n0.874590 0.682865 0.764208 O\n0.125015 0.316474 0.235674 O\n0.076705 0.776771 0.492278 O\n0.921446 0.223581 0.507566 O\n0.204702 0.749592 0.192636 O\n0.795778 0.250000 0.806630 O\n0.795049 0.453932 0.069366 O\n0.203790 0.545574 0.930743 O\n0.836851 0.628978 0.328044 O\n0.163259 0.370953 0.672058 O\n0.854797 0.077153 0.252773 O\n0.145922 0.923456 0.746822 O\n0.873348 0.865582 0.014748 O\n0.128329 0.132596 0.985333 O\n0.592618 0.383410 0.352804 O\n0.405758 0.615254 0.647069 O\n0.497519 0.810960 0.937524 O\n0.503549 0.192060 0.062257 O\n0.454762 0.020481 0.460398 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Co",
"Mo",
"O"
],
"chemical_system": "Co-Mo-O",
"density": 3.639985368022126,
"density_atomic": 0.06408939343962868,
"volume": 421.2865585228799,
"volume_molar": 9.396470206373186,
"formula_full": "Co4 Mo4 O19",
"formula_reduced": "Co4Mo4O19",
"formula_anonymous": "A4B4C19",
"energy": -200.52065524,
"energy_per_atom": -7.426690934814815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.10765524,
"band_gap": 0.0121,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2026809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.278000Z",
"spacegroup": 1
},
{
"id": "mp-1237325",
"created_at": "2022-09-04T14:46:32.762837Z",
"structure_string": "Mn1 Zn3 F6\n1.0\n-2.851160 -4.456241 1.171521\n-3.419463 4.809641 -0.243035\n1.597547 2.926101 -5.892250\nMn Zn F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.081725 0.280140 0.712079 F\n0.918275 0.719860 0.287921 F\n0.816346 0.797422 0.674504 F\n0.183654 0.202578 0.325496 F\n0.465010 0.861752 0.814937 F\n0.534990 0.138248 0.185063 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"F"
],
"chemical_system": "F-Mn-Zn",
"density": 4.054102663607745,
"density_atomic": 0.06686022611673643,
"volume": 149.56575202931901,
"volume_molar": 9.007060115958147,
"formula_full": "Mn1 Zn3 F6",
"formula_reduced": "MnZn3F6",
"formula_anonymous": "AB3C6",
"energy": -45.84831889,
"energy_per_atom": -4.584831889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.40831888999999,
"band_gap": 1.3114,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.592000Z",
"spacegroup": 2
},
{
"id": "mp-1323922",
"created_at": "2022-09-04T14:46:28.709177Z",
"structure_string": "Ca4 Ag4 F20\n1.0\n10.445725 0.000000 0.000000\n0.000000 5.710958 0.000000\n0.000000 2.895516 7.692548\nCa Ag F\n4 4 20\ndirect\n0.019823 0.530842 0.743896 Ca\n0.519823 0.469158 0.756104 Ca\n0.980177 0.469158 0.256104 Ca\n0.480177 0.530842 0.243896 Ca\n0.753419 0.114327 0.597641 Ag\n0.253419 0.885673 0.902359 Ag\n0.246581 0.885673 0.402359 Ag\n0.746581 0.114327 0.097641 Ag\n0.890513 0.403063 0.549271 F\n0.390513 0.596937 0.950729 F\n0.109487 0.596937 0.450729 F\n0.609487 0.403063 0.049271 F\n0.604020 0.370222 0.505823 F\n0.104020 0.629778 0.994177 F\n0.395980 0.629778 0.494177 F\n0.895980 0.370222 0.005823 F\n0.401821 0.128373 0.807289 F\n0.901821 0.871627 0.692711 F\n0.598179 0.871627 0.192711 F\n0.098179 0.128373 0.307289 F\n0.130849 0.183068 0.858006 F\n0.630849 0.816932 0.641994 F\n0.869151 0.816932 0.141994 F\n0.369151 0.183068 0.358006 F\n0.695676 0.152318 0.837344 F\n0.195676 0.847682 0.662656 F\n0.304324 0.847682 0.162656 F\n0.804324 0.152318 0.337344 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"F"
],
"chemical_system": "Ag-Ca-F",
"density": 3.5163100139936487,
"density_atomic": 0.061015512302805566,
"volume": 458.8996952290201,
"volume_molar": 9.869851997822355,
"formula_full": "Ca4 Ag4 F20",
"formula_reduced": "CaAgF5",
"formula_anonymous": "ABC5",
"energy": -128.17351038,
"energy_per_atom": -4.577625370714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.93351038000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9996222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.672000Z",
"spacegroup": 14
},
{
"id": "mp-752476",
"created_at": "2022-09-04T14:46:23.554326Z",
"structure_string": "Li3 Fe5 O10\n1.0\n5.188581 0.000000 0.000000\n-0.891222 5.111903 0.000000\n-2.568752 -2.169317 7.153169\nLi Fe O\n3 5 10\ndirect\n0.202251 0.493918 0.412925 Li\n0.000000 0.000000 0.500000 Li\n0.797749 0.506082 0.587075 Li\n0.573218 0.997526 0.690731 Fe\n0.000000 0.500000 0.000000 Fe\n0.202098 0.015485 0.896468 Fe\n0.797902 0.984515 0.103532 Fe\n0.426782 0.002474 0.309269 Fe\n0.839112 0.750795 0.867272 O\n0.409062 0.224362 0.520258 O\n0.599377 0.198648 0.929862 O\n0.043646 0.766660 0.236565 O\n0.213864 0.795842 0.657247 O\n0.786136 0.204158 0.342753 O\n0.956354 0.233340 0.763435 O\n0.400623 0.801352 0.070138 O\n0.590938 0.775638 0.479742 O\n0.160888 0.249205 0.132728 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.026399738804054,
"density_atomic": 0.0948730393848223,
"volume": 189.72724091813615,
"volume_molar": 6.347578615641375,
"formula_full": "Li3 Fe5 O10",
"formula_reduced": "Li3(FeO2)5",
"formula_anonymous": "A3B5C10",
"energy": -128.0174899,
"energy_per_atom": -7.112082772222221,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.8674899,
"band_gap": 0.4722999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.0000397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.005000Z",
"spacegroup": 2
},
{
"id": "mp-1205988",
"created_at": "2022-09-04T14:46:23.560918Z",
"structure_string": "La2 Ni1 W1 O6\n1.0\n0.000000 4.011857 4.011857\n4.011857 0.000000 4.011857\n4.011857 4.011857 0.000000\nLa Ni W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 W\n0.748727 0.251273 0.251273 O\n0.251273 0.748727 0.748727 O\n0.251273 0.748727 0.251273 O\n0.748727 0.251273 0.748727 O\n0.251273 0.251273 0.748727 O\n0.748727 0.748727 0.251273 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Ni",
"W",
"O"
],
"chemical_system": "La-Ni-O-W",
"density": 7.925079797361459,
"density_atomic": 0.07743435244997118,
"volume": 129.1416494566905,
"volume_molar": 7.777091910067677,
"formula_full": "La2 Ni1 W1 O6",
"formula_reduced": "La2NiWO6",
"formula_anonymous": "ABC2D6",
"energy": -84.81170840000001,
"energy_per_atom": -8.48117084,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.7107084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.191000Z",
"spacegroup": 225
},
{
"id": "mp-605437",
"created_at": "2022-09-04T14:46:24.228588Z",
"structure_string": "Fe4 H4 O8\n1.0\n0.000000 3.056119 -0.000018\n0.000055 -0.000028 4.641961\n10.055523 0.000001 0.000118\nFe H O\n4 4 8\ndirect\n0.751208 0.443022 0.355349 Fe\n0.748813 0.056971 0.855354 Fe\n0.251171 0.556972 0.644652 Fe\n0.248846 0.943036 0.144651 Fe\n0.252899 0.896215 0.409059 H\n0.247088 0.603778 0.909060 H\n0.752900 0.103768 0.590943 H\n0.747085 0.396244 0.090941 H\n0.250646 0.190269 0.304289 O\n0.249361 0.309731 0.804289 O\n0.750618 0.809727 0.695706 O\n0.749378 0.690269 0.195708 O\n0.253045 0.693279 0.443296 O\n0.246951 0.806712 0.943299 O\n0.753041 0.306701 0.556701 O\n0.746949 0.193306 0.056703 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 4.1371247239979265,
"density_atomic": 0.1121614385411092,
"volume": 142.65152273466705,
"volume_molar": 5.369172184603157,
"formula_full": "Fe4 H4 O8",
"formula_reduced": "FeHO2",
"formula_anonymous": "ABC2",
"energy": -111.83035077,
"energy_per_atom": -6.989396923125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.31035077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.985000Z",
"spacegroup": 62
},
{
"id": "mp-540118",
"created_at": "2022-09-04T14:46:30.411302Z",
"structure_string": "Mn4 P4 O16\n1.0\n5.111519 0.000000 0.000000\n0.000000 7.733097 0.000000\n0.000000 0.000000 10.106176\nMn P O\n4 4 16\ndirect\n0.674917 0.787123 0.149564 Mn\n0.174917 0.287123 0.350436 Mn\n0.825083 0.787123 0.649564 Mn\n0.325083 0.287123 0.850436 Mn\n0.341289 0.539035 0.586824 P\n0.158711 0.539035 0.086824 P\n0.658711 0.039035 0.413176 P\n0.841289 0.039035 0.913176 P\n0.268391 0.493475 0.442055 O\n0.302628 0.376344 0.672507 O\n0.134041 0.090833 0.908438 O\n0.731609 0.993475 0.557945 O\n0.176000 0.693066 0.635255 O\n0.231609 0.493475 0.942055 O\n0.197372 0.376344 0.172507 O\n0.324000 0.693066 0.135255 O\n0.365959 0.090833 0.408438 O\n0.865959 0.590833 0.091562 O\n0.824000 0.193066 0.364745 O\n0.697372 0.876344 0.327493 O\n0.634041 0.590833 0.591562 O\n0.802628 0.876344 0.827493 O\n0.768391 0.993475 0.057945 O\n0.676000 0.193066 0.864745 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.492571818732779,
"density_atomic": 0.06007875817428327,
"volume": 399.47563380684534,
"volume_molar": 10.023743737395987,
"formula_full": "Mn4 P4 O16",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy": -193.9482301,
"energy_per_atom": -8.081176254166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.2842301,
"band_gap": 0.3731,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0019024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.952000Z",
"spacegroup": 33
},
{
"id": "mp-1216335",
"created_at": "2022-09-04T14:46:32.632828Z",
"structure_string": "Y4 Er4 Fe56 B4\n1.0\n8.723555 0.000000 0.000000\n0.000000 8.723555 0.000000\n0.000000 0.000000 11.907149\nY Er Fe B\n4 4 56 4\ndirect\n0.232428 0.767572 0.500000 Y\n0.767572 0.232428 0.500000 Y\n0.267572 0.267572 0.000000 Y\n0.732428 0.732428 0.000000 Y\n0.643784 0.643784 0.500000 Er\n0.356216 0.356216 0.500000 Er\n0.856216 0.143784 0.000000 Er\n0.143784 0.856216 0.000000 Er\n0.933084 0.725188 0.373179 Fe\n0.066916 0.274812 0.373179 Fe\n0.566916 0.225188 0.873179 Fe\n0.433084 0.774812 0.873179 Fe\n0.066916 0.274812 0.626821 Fe\n0.933084 0.725188 0.626821 Fe\n0.433084 0.774812 0.126821 Fe\n0.566916 0.225188 0.126821 Fe\n0.725188 0.933084 0.373179 Fe\n0.274812 0.066916 0.373179 Fe\n0.225188 0.566916 0.873179 Fe\n0.774812 0.433084 0.873179 Fe\n0.274812 0.066916 0.626821 Fe\n0.725188 0.933084 0.626821 Fe\n0.774812 0.433084 0.126821 Fe\n0.225188 0.566916 0.126821 Fe\n0.141029 0.536351 0.325377 Fe\n0.858971 0.463649 0.325377 Fe\n0.358971 0.036351 0.825377 Fe\n0.641029 0.963649 0.825377 Fe\n0.858971 0.463649 0.674623 Fe\n0.141029 0.536351 0.674623 Fe\n0.641029 0.963649 0.174623 Fe\n0.358971 0.036351 0.174623 Fe\n0.536351 0.141029 0.325377 Fe\n0.463649 0.858971 0.325377 Fe\n0.036351 0.358971 0.825377 Fe\n0.963649 0.641029 0.825377 Fe\n0.463649 0.858971 0.674623 Fe\n0.536351 0.141029 0.674623 Fe\n0.963649 0.641029 0.174623 Fe\n0.036351 0.358971 0.174623 Fe\n0.182706 0.817294 0.253513 Fe\n0.817294 0.182706 0.253513 Fe\n0.317294 0.317294 0.753513 Fe\n0.682706 0.682706 0.753513 Fe\n0.817294 0.182706 0.746487 Fe\n0.182706 0.817294 0.746487 Fe\n0.682706 0.682706 0.246487 Fe\n0.317294 0.317294 0.246487 Fe\n0.402945 0.597055 0.301243 Fe\n0.597055 0.402945 0.301243 Fe\n0.097055 0.097055 0.801243 Fe\n0.902945 0.902945 0.801243 Fe\n0.597055 0.402945 0.698757 Fe\n0.402945 0.597055 0.698757 Fe\n0.902945 0.902945 0.198757 Fe\n0.097055 0.097055 0.198757 Fe\n0.500000 0.500000 0.117563 Fe\n0.000000 0.000000 0.617563 Fe\n0.500000 0.500000 0.882437 Fe\n0.000000 0.000000 0.382437 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.876577 0.876577 0.500000 B\n0.123423 0.123423 0.500000 B\n0.623423 0.376577 0.000000 B\n0.376577 0.623423 0.000000 B\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Y",
"Er",
"Fe",
"B"
],
"chemical_system": "B-Er-Fe-Y",
"density": 7.687929544147467,
"density_atomic": 0.07504367905889442,
"volume": 906.1389427167273,
"volume_molar": 8.024847442878983,
"formula_full": "Y4 Er4 Fe56 B4",
"formula_reduced": "YErFe14B",
"formula_anonymous": "ABCD14",
"energy": -552.73019226,
"energy_per_atom": -8.128385180294117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -552.73019226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 124.4267668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.368000Z",
"spacegroup": 136
},
{
"id": "mp-1200624",
"created_at": "2022-09-04T14:46:28.750981Z",
"structure_string": "K4 V6 P8 O40\n1.0\n6.274862 0.000000 0.000000\n-1.169166 11.171605 0.000000\n-2.913549 -4.002487 11.864078\nK V P O\n4 6 8 40\ndirect\n0.435534 0.224049 0.570901 K\n0.564466 0.775951 0.429099 K\n0.190416 0.097258 0.221235 K\n0.809584 0.902742 0.778765 K\n0.387696 0.169982 0.842455 V\n0.612304 0.830018 0.157545 V\n0.666435 0.389625 0.371096 V\n0.333565 0.610375 0.628904 V\n0.034221 0.388305 0.093883 V\n0.965779 0.611695 0.906117 V\n0.178186 0.447685 0.365550 P\n0.821814 0.552315 0.634450 P\n0.887827 0.232837 0.831861 P\n0.112173 0.767163 0.168139 P\n0.529772 0.343846 0.101907 P\n0.470228 0.656154 0.898093 P\n0.778957 0.086866 0.401059 P\n0.221043 0.913134 0.598941 P\n0.354067 0.359911 0.373685 O\n0.645933 0.640089 0.626315 O\n0.962114 0.369995 0.369570 O\n0.037886 0.630005 0.630430 O\n0.683575 0.533235 0.370252 O\n0.316425 0.466765 0.629748 O\n0.623665 0.175373 0.368433 O\n0.376335 0.824627 0.631567 O\n0.561162 0.304465 0.210348 O\n0.438838 0.695535 0.789652 O\n0.745673 0.426282 0.535338 O\n0.254327 0.573718 0.464662 O\n0.079165 0.154052 0.847196 O\n0.920835 0.845948 0.152804 O\n0.689350 0.145884 0.845942 O\n0.310650 0.854116 0.154058 O\n0.402354 0.300703 0.812864 O\n0.597646 0.699297 0.187136 O\n0.306483 0.979541 0.846970 O\n0.693517 0.020459 0.153030 O\n0.292192 0.048363 0.693157 O\n0.707808 0.951637 0.306843 O\n0.470006 0.218144 0.003486 O\n0.529994 0.781856 0.996514 O\n0.950149 0.361143 0.935856 O\n0.049851 0.638857 0.064144 O\n0.141537 0.478471 0.254296 O\n0.858463 0.521529 0.745704 O\n0.745564 0.425399 0.102759 O\n0.254436 0.574601 0.897241 O\n0.006956 0.244687 0.094205 O\n0.993044 0.755313 0.905795 O\n0.340607 0.421440 0.091809 O\n0.659393 0.578560 0.908191 O\n0.841217 0.260421 0.723171 O\n0.158783 0.739579 0.276829 O\n0.741017 0.058404 0.506722 O\n0.258983 0.941596 0.493278 O\n0.024129 0.135658 0.418143 O\n0.975871 0.864342 0.581857 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"K",
"V",
"P",
"O"
],
"chemical_system": "K-O-P-V",
"density": 2.695053844788065,
"density_atomic": 0.06973876456695714,
"volume": 831.6751861056185,
"volume_molar": 8.635284547115917,
"formula_full": "K4 V6 P8 O40",
"formula_reduced": "K2V3(PO5)4",
"formula_anonymous": "A2B3C4D20",
"energy": -434.90421027,
"energy_per_atom": -7.498348452931035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -397.22421027,
"band_gap": 0.0213,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0975493,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.092000Z",
"spacegroup": 2
}
]
}