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=decomposes_to&page=10211",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=10209",
"results": [
{
"id": "mp-1516749",
"created_at": "2022-09-04T14:40:55.692823Z",
"structure_string": "Sr1 Eu1 Zr2 O6\n1.0\n0.000000 0.000000 4.231696\n4.116323 -4.129756 0.000000\n4.116323 4.129756 0.000000\nSr Eu Zr O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.000000 Eu\n0.000000 -0.000000 0.500000 Zr\n-0.000000 0.500000 0.000000 Zr\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.309891 0.690109 O\n-0.000000 0.690109 0.309891 O\n-0.000000 0.810586 0.810586 O\n-0.000000 0.189414 0.189414 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Eu",
"Zr",
"O"
],
"chemical_system": "Eu-O-Sr-Zr",
"density": 5.978942436431493,
"density_atomic": 0.06950590539161698,
"volume": 143.87266727419808,
"volume_molar": 8.664214538418664,
"formula_full": "Sr1 Eu1 Zr2 O6",
"formula_reduced": "SrEuZr2O6",
"formula_anonymous": "ABC2D6",
"energy": -94.94654028,
"energy_per_atom": -9.494654028,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.82454028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.236000Z",
"spacegroup": 65
},
{
"id": "mp-725670",
"created_at": "2022-09-04T14:40:55.697806Z",
"structure_string": "Zn2 N4 Cl4\n1.0\n-4.012824 4.064477 4.230953\n4.012824 -4.064477 4.230953\n4.012824 4.064477 -4.230953\nZn N Cl\n2 4 4\ndirect\n0.250000 0.646595 0.396595 Zn\n0.750000 0.353405 0.603405 Zn\n0.042424 0.280598 0.238175 N\n0.542424 0.304249 0.761825 N\n0.957576 0.719402 0.761825 N\n0.457576 0.695751 0.238175 N\n0.000987 0.738778 0.239765 Cl\n0.999013 0.261222 0.760235 Cl\n0.500987 0.261222 0.262210 Cl\n0.499013 0.738778 0.737790 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zn",
"density": 1.9771460206269549,
"density_atomic": 0.036228222399183795,
"volume": 276.027895871184,
"volume_molar": 16.62278842622893,
"formula_full": "Zn2 N4 Cl4",
"formula_reduced": "Zn(NCl)2",
"formula_anonymous": "AB2C2",
"energy": -30.57923853,
"energy_per_atom": -3.057923853,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.123238529999995,
"band_gap": 0.7434000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0003396,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.108000Z",
"spacegroup": 74
},
{
"id": "mp-725908",
"created_at": "2022-09-04T14:40:55.719340Z",
"structure_string": "K2 U4 Cl4 O18\n1.0\n7.360207 0.000000 0.000000\n-3.480216 7.327266 0.000000\n-2.927636 -2.181022 11.465373\nK U Cl O\n2 4 4 18\ndirect\n0.530658 0.023474 0.215765 K\n0.469342 0.976526 0.784235 K\n0.800015 0.668883 0.750471 U\n0.199985 0.331117 0.249529 U\n0.857460 0.781516 0.058179 U\n0.142540 0.218484 0.941821 U\n0.009711 0.027987 0.699763 Cl\n0.990289 0.972013 0.300237 Cl\n0.619120 0.331876 0.621865 Cl\n0.380880 0.668124 0.378135 Cl\n0.057977 0.674937 0.775696 O\n0.942023 0.325063 0.224304 O\n0.556164 0.688025 0.698690 O\n0.443836 0.311975 0.301310 O\n0.106526 0.763704 0.093891 O\n0.893474 0.236296 0.906109 O\n0.641642 0.848650 0.036996 O\n0.358358 0.151350 0.963004 O\n0.730853 0.565179 0.895036 O\n0.269147 0.434821 0.104964 O\n0.923382 0.901325 0.904257 O\n0.076618 0.098675 0.095743 O\n0.881327 0.666466 0.507545 O\n0.118673 0.333534 0.492455 O\n0.729141 0.579447 0.128453 O\n0.270859 0.420553 0.871547 O\n0.933055 0.253244 0.491871 O\n0.066945 0.746756 0.508129 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"U",
"Cl",
"O"
],
"chemical_system": "Cl-K-O-U",
"density": 3.9211686460236796,
"density_atomic": 0.04528327792599335,
"volume": 618.3297959516208,
"volume_molar": 13.29881809758121,
"formula_full": "K2 U4 Cl4 O18",
"formula_reduced": "KU2Cl2O9",
"formula_anonymous": "AB2C2D9",
"energy": -196.35441604,
"energy_per_atom": -7.012657715714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.45641604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8055425,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.479000Z",
"spacegroup": 2
},
{
"id": "mp-1037254",
"created_at": "2022-09-04T14:40:55.817455Z",
"structure_string": "Y1 Mg30 Cr1 O32\n1.0\n8.634746 0.000000 0.000000\n0.000000 8.634746 0.000000\n0.000000 0.000000 8.610497\nY Mg Cr O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.256432 0.000000 0.258052 Mg\n0.256432 0.000000 0.741948 Mg\n0.743568 0.000000 0.258052 Mg\n0.743568 0.000000 0.741948 Mg\n0.250565 0.500000 0.251713 Mg\n0.250565 0.500000 0.748287 Mg\n0.749435 0.500000 0.251713 Mg\n0.749435 0.500000 0.748287 Mg\n0.000000 0.256432 0.258052 Mg\n0.000000 0.256432 0.741948 Mg\n0.500000 0.250565 0.251713 Mg\n0.500000 0.250565 0.748287 Mg\n0.000000 0.743568 0.258052 Mg\n0.000000 0.743568 0.741948 Mg\n0.500000 0.749435 0.251713 Mg\n0.500000 0.749435 0.748287 Mg\n0.256110 0.256110 0.000000 Mg\n0.250241 0.250241 0.500000 Mg\n0.743890 0.256110 0.000000 Mg\n0.749759 0.250241 0.500000 Mg\n0.256110 0.743890 0.000000 Mg\n0.250241 0.749759 0.500000 Mg\n0.743890 0.743890 0.000000 Mg\n0.749759 0.749759 0.500000 Mg\n0.000000 0.000000 0.500000 Cr\n0.000000 0.259567 0.000000 O\n0.000000 0.268544 0.500000 O\n0.500000 0.251733 0.000000 O\n0.500000 0.253178 0.500000 O\n0.000000 0.740433 0.000000 O\n0.000000 0.731456 0.500000 O\n0.500000 0.748267 0.000000 O\n0.500000 0.746822 0.500000 O\n0.249227 0.249227 0.248765 O\n0.249227 0.249227 0.751235 O\n0.750773 0.249227 0.248765 O\n0.750773 0.249227 0.751235 O\n0.249227 0.750773 0.248765 O\n0.249227 0.750773 0.751235 O\n0.750773 0.750773 0.248765 O\n0.750773 0.750773 0.751235 O\n0.000000 0.000000 0.252636 O\n0.000000 0.000000 0.747364 O\n0.500000 0.000000 0.247172 O\n0.500000 0.000000 0.752828 O\n0.000000 0.500000 0.247172 O\n0.000000 0.500000 0.752828 O\n0.500000 0.500000 0.248634 O\n0.500000 0.500000 0.751366 O\n0.259567 0.000000 0.000000 O\n0.268544 0.000000 0.500000 O\n0.740433 0.000000 0.000000 O\n0.731456 0.000000 0.500000 O\n0.251733 0.500000 0.000000 O\n0.253178 0.500000 0.500000 O\n0.748267 0.500000 0.000000 O\n0.746822 0.500000 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O-Y",
"density": 3.5747039367201032,
"density_atomic": 0.09969023516558603,
"volume": 641.9886550944096,
"volume_molar": 6.040853198908791,
"formula_full": "Y1 Mg30 Cr1 O32",
"formula_reduced": "YMg30CrO32",
"formula_anonymous": "ABC30D32",
"energy": -413.15429332,
"energy_per_atom": -6.455535833125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -389.17129332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8540902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.093000Z",
"spacegroup": 123
},
{
"id": "mp-1175724",
"created_at": "2022-09-04T14:40:55.871365Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.046658 0.000000 0.000000\n-1.717602 -5.590325 0.000000\n-1.590089 0.290563 -9.992793\nLi Mn Co O\n9 2 5 16\ndirect\n0.991799 0.245451 0.244225 Li\n0.499410 0.875815 0.627139 Li\n0.996836 0.000624 0.496296 Li\n0.500082 0.626148 0.881394 Li\n0.004311 0.750060 0.753636 Li\n0.506591 0.377318 0.123369 Li\n0.006720 0.504714 0.002293 Li\n0.496976 0.121050 0.368575 Li\n0.500597 0.874730 0.126097 Li\n0.001967 0.997843 0.006949 Mn\n0.496631 0.629215 0.367389 Mn\n0.002016 0.251685 0.752012 Co\n0.998162 0.497304 0.499466 Co\n0.502908 0.118308 0.883927 Co\n0.997650 0.750723 0.248425 Co\n0.496423 0.371328 0.625501 Co\n0.765361 0.177118 0.054433 O\n0.243487 0.791966 0.426090 O\n0.748906 0.910846 0.313708 O\n0.242948 0.551976 0.683126 O\n0.730265 0.667585 0.552106 O\n0.242982 0.296394 0.939533 O\n0.744402 0.415763 0.807577 O\n0.219497 0.042760 0.180533 O\n0.258959 0.335336 0.437838 O\n0.767757 0.947885 0.824974 O\n0.253460 0.082749 0.686856 O\n0.783521 0.706593 0.069631 O\n0.248447 0.838091 0.936240 O\n0.742669 0.461820 0.313273 O\n0.248644 0.577821 0.203244 O\n0.759616 0.202978 0.564152 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.2585372671209045,
"density_atomic": 0.11350687202569516,
"volume": 281.9212566509276,
"volume_molar": 5.305529658712413,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.65882984,
"energy_per_atom": -6.5518384325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.14082984,
"band_gap": 1.2695,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.271000Z",
"spacegroup": 1
},
{
"id": "mp-1201252",
"created_at": "2022-09-04T14:40:55.876623Z",
"structure_string": "Cs4 Be8 P8 H4 O32\n1.0\n4.963447 -0.004838 -0.230287\n-0.211435 10.833637 -0.523271\n-0.046008 -0.046303 13.257450\nCs Be P H O\n4 8 8 4 32\ndirect\n0.255025 0.721418 0.844326 Cs\n0.744975 0.278582 0.155674 Cs\n0.269069 0.257709 0.672111 Cs\n0.730931 0.742291 0.327889 Cs\n0.724601 0.453663 0.872175 Be\n0.275399 0.546337 0.127825 Be\n0.186042 0.564509 0.537326 Be\n0.813958 0.435491 0.462674 Be\n0.784531 0.831492 0.664864 Be\n0.215469 0.168508 0.335136 Be\n0.332366 0.067463 0.958307 Be\n0.667634 0.932537 0.041693 Be\n0.227288 0.345758 0.956734 P\n0.772712 0.654242 0.043266 P\n0.689617 0.555343 0.662198 P\n0.310383 0.444657 0.337802 P\n0.274106 0.831232 0.545493 P\n0.725894 0.168768 0.454507 P\n0.823941 0.018031 0.842386 P\n0.176059 0.981969 0.157614 P\n0.262956 0.994644 0.452252 H\n0.737044 0.005356 0.547748 H\n0.838145 0.223582 0.846396 H\n0.161855 0.776418 0.153604 H\n0.419596 0.401810 0.883343 O\n0.580404 0.598190 0.116657 O\n0.935526 0.341871 0.904935 O\n0.064474 0.658129 0.095065 O\n0.304689 0.211443 0.977879 O\n0.695311 0.788557 0.022121 O\n0.223366 0.418361 0.059485 O\n0.776634 0.581639 0.940515 O\n0.870929 0.528530 0.568825 O\n0.129071 0.471470 0.431175 O\n0.396486 0.523818 0.623294 O\n0.603514 0.476182 0.376706 O\n0.728946 0.691627 0.696976 O\n0.271054 0.308373 0.303024 O\n0.769483 0.473344 0.749236 O\n0.230517 0.526656 0.250764 O\n0.096510 0.856098 0.634735 O\n0.903490 0.143902 0.365265 O\n0.574076 0.867316 0.570981 O\n0.425924 0.132684 0.429019 O\n0.237919 0.698657 0.500256 O\n0.762081 0.301343 0.499744 O\n0.183840 0.909480 0.451737 O\n0.816160 0.090520 0.548263 O\n0.728559 0.919243 0.764069 O\n0.271441 0.080757 0.235931 O\n0.643888 0.014356 0.936102 O\n0.356112 0.985644 0.063898 O\n0.118248 0.002956 0.878423 O\n0.881752 0.997044 0.121577 O\n0.779164 0.148626 0.797823 O\n0.220836 0.851374 0.202177 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Cs",
"Be",
"P",
"H",
"O"
],
"chemical_system": "Be-Cs-H-O-P",
"density": 3.1865346871793414,
"density_atomic": 0.0785820372344323,
"volume": 712.6310537475156,
"volume_molar": 7.663508063597615,
"formula_full": "Cs4 Be8 P8 H4 O32",
"formula_reduced": "CsBe2P2HO8",
"formula_anonymous": "ABC2D2E8",
"energy": -402.04869462,
"energy_per_atom": -7.179440975357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -380.06469462,
"band_gap": 5.5956,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0034624,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.790000Z",
"spacegroup": 2
},
{
"id": "mp-1193201",
"created_at": "2022-09-04T14:40:55.697505Z",
"structure_string": "Gd12 Se12 N4\n1.0\n4.016449 0.000000 0.000000\n0.000000 12.693764 0.000000\n0.000000 0.000000 13.293679\nGd Se N\n12 12 4\ndirect\n0.250000 0.065379 0.366823 Gd\n0.250000 0.565379 0.133177 Gd\n0.750000 0.934621 0.633177 Gd\n0.750000 0.434621 0.866823 Gd\n0.250000 0.705730 0.359085 Gd\n0.250000 0.205730 0.140915 Gd\n0.750000 0.294270 0.640915 Gd\n0.750000 0.794270 0.859085 Gd\n0.250000 0.541346 0.650837 Gd\n0.250000 0.041346 0.849163 Gd\n0.750000 0.458654 0.349163 Gd\n0.750000 0.958654 0.150837 Gd\n0.250000 0.869628 0.995246 Se\n0.250000 0.369628 0.504754 Se\n0.750000 0.130372 0.004754 Se\n0.750000 0.630372 0.495246 Se\n0.250000 0.095171 0.603799 Se\n0.250000 0.595171 0.896201 Se\n0.750000 0.904829 0.396201 Se\n0.750000 0.404829 0.103799 Se\n0.250000 0.775298 0.688848 Se\n0.250000 0.275298 0.811152 Se\n0.750000 0.224702 0.311152 Se\n0.750000 0.724702 0.188848 Se\n0.250000 0.038658 0.203303 N\n0.250000 0.538658 0.296697 N\n0.750000 0.961342 0.796697 N\n0.750000 0.461342 0.703303 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Gd",
"Se",
"N"
],
"chemical_system": "Gd-N-Se",
"density": 7.081923620785511,
"density_atomic": 0.04131237541281019,
"volume": 677.763012177647,
"volume_molar": 14.57708664734066,
"formula_full": "Gd12 Se12 N4",
"formula_reduced": "Gd3Se3N",
"formula_anonymous": "AB3C3",
"energy": -303.13455781,
"energy_per_atom": -10.826234207499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -296.02655781,
"band_gap": 1.1217,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 28.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.052000Z",
"spacegroup": 62
},
{
"id": "mp-27544",
"created_at": "2022-09-04T14:40:55.702844Z",
"structure_string": "Cs3 Bi2 Br9\n1.0\n4.107994 -7.115255 0.000000\n4.107994 7.115255 0.000000\n0.000000 0.000000 10.069801\nCs Bi Br\n3 2 9\ndirect\n0.333333 0.666667 0.334212 Cs\n0.666667 0.333333 0.665788 Cs\n0.000000 0.000000 0.000000 Cs\n0.333333 0.666667 0.813494 Bi\n0.666667 0.333333 0.186506 Bi\n0.170673 0.341345 0.664369 Br\n0.658655 0.829327 0.664369 Br\n0.170673 0.829327 0.664369 Br\n0.829327 0.658655 0.335631 Br\n0.829327 0.170673 0.335631 Br\n0.500000 0.500000 0.000000 Br\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.341345 0.170673 0.335631 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cs",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Cs",
"density": 4.332278100414439,
"density_atomic": 0.023782465869684723,
"volume": 588.6689831370961,
"volume_molar": 25.321767696411854,
"formula_full": "Cs3 Bi2 Br9",
"formula_reduced": "Cs3Bi2Br9",
"formula_anonymous": "A2B3C9",
"energy": -47.69209144,
"energy_per_atom": -3.40657796,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.88609144,
"band_gap": 2.5996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.267000Z",
"spacegroup": 164
},
{
"id": "mp-1292553",
"created_at": "2022-09-04T14:40:55.706224Z",
"structure_string": "Li4 V6 Co2 O16\n1.0\n-2.942272 1.752346 4.854305\n-0.048370 3.424816 -4.855878\n-5.882980 -6.845409 -4.911808\nLi V Co O\n4 6 2 16\ndirect\n0.881306 0.438680 0.318610 Li\n0.872998 0.936440 0.810228 Li\n0.126632 0.062735 0.189446 Li\n0.119318 0.563479 0.682665 Li\n0.492155 0.493565 0.996152 V\n0.502226 0.003536 0.505799 V\n0.502616 0.998441 0.996195 V\n0.499036 0.502702 0.500878 V\n0.998151 0.504202 0.996439 V\n0.997388 0.001786 0.500858 V\n0.494763 0.253381 0.748535 Co\n0.508962 0.746167 0.253929 Co\n0.259232 0.134406 0.393926 O\n0.256997 0.631547 0.888419 O\n0.738714 0.366364 0.105053 O\n0.743664 0.866006 0.610576 O\n0.759374 0.102818 0.389799 O\n0.719368 0.588758 0.880917 O\n0.759201 0.639672 0.397203 O\n0.745962 0.159771 0.881853 O\n0.287940 0.629692 0.388975 O\n0.291730 0.137392 0.881066 O\n0.710229 0.863253 0.103311 O\n0.704832 0.364572 0.625790 O\n0.237655 0.841358 0.102586 O\n0.263803 0.355937 0.621914 O\n0.262650 0.392460 0.103113 O\n0.263098 0.920883 0.625763 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 3.963007658888683,
"density_atomic": 0.09448192590905519,
"volume": 296.3529768323284,
"volume_molar": 6.373854789747503,
"formula_full": "Li4 V6 Co2 O16",
"formula_reduced": "Li2V3CoO8",
"formula_anonymous": "AB2C3D8",
"energy": -219.6952388,
"energy_per_atom": -7.846258528571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.2272388,
"band_gap": 0.5433000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.007000Z",
"spacegroup": 1
},
{
"id": "mp-1203464",
"created_at": "2022-09-04T14:40:55.711525Z",
"structure_string": "Bi8 As4 O24\n1.0\n7.093486 0.000000 0.000000\n0.000000 7.157905 0.000000\n0.000000 3.404628 10.362329\nBi As O\n8 4 24\ndirect\n0.908918 0.741277 0.976752 Bi\n0.408918 0.258723 0.523248 Bi\n0.091082 0.258723 0.023248 Bi\n0.591082 0.741277 0.476752 Bi\n0.367558 0.596268 0.177640 Bi\n0.867558 0.403732 0.322360 Bi\n0.632442 0.403732 0.822360 Bi\n0.132442 0.596268 0.677640 Bi\n0.071889 0.870189 0.328824 As\n0.571889 0.129811 0.171176 As\n0.928111 0.129811 0.671176 As\n0.428111 0.870189 0.828824 As\n0.079751 0.494908 0.113147 O\n0.579751 0.505092 0.386853 O\n0.920249 0.505092 0.886853 O\n0.420249 0.494908 0.613147 O\n0.720786 0.572862 0.143836 O\n0.220786 0.427138 0.356164 O\n0.279214 0.427138 0.856164 O\n0.779214 0.572862 0.643836 O\n0.136715 0.820987 0.189313 O\n0.636715 0.179013 0.310687 O\n0.863285 0.179013 0.810687 O\n0.363285 0.820987 0.689313 O\n0.227200 0.823566 0.456158 O\n0.727200 0.176434 0.043842 O\n0.772800 0.176434 0.543842 O\n0.272800 0.823566 0.956158 O\n0.887200 0.708097 0.387635 O\n0.387200 0.291903 0.112365 O\n0.112800 0.291903 0.612365 O\n0.612800 0.708097 0.887635 O\n0.012990 0.113480 0.272759 O\n0.512990 0.886520 0.227241 O\n0.987010 0.886520 0.727241 O\n0.487010 0.113480 0.772759 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-O",
"density": 7.434161399514844,
"density_atomic": 0.06842258501463724,
"volume": 526.1420624827128,
"volume_molar": 8.801393222298922,
"formula_full": "Bi8 As4 O24",
"formula_reduced": "Bi2AsO6",
"formula_anonymous": "AB2C6",
"energy": -225.37059685,
"energy_per_atom": -6.260294356944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -208.88259685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015738,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.818000Z",
"spacegroup": 14
},
{
"id": "mp-1105551",
"created_at": "2022-09-04T14:40:55.713705Z",
"structure_string": "Tb10 Rh6\n1.0\n4.166842 -7.217182 0.000000\n4.166842 7.217182 0.000000\n0.000000 0.000000 6.339215\nTb Rh\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.744983 0.744983 0.750000 Tb\n0.255017 0.000000 0.750000 Tb\n0.000000 0.255017 0.750000 Tb\n0.255017 0.255017 0.250000 Tb\n0.744983 0.000000 0.250000 Tb\n0.000000 0.744983 0.250000 Tb\n0.392645 0.392645 0.750000 Rh\n0.607355 0.000000 0.750000 Rh\n0.000000 0.607355 0.750000 Rh\n0.607355 0.607355 0.250000 Rh\n0.392645 0.000000 0.250000 Rh\n0.000000 0.392645 0.250000 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Rh"
],
"chemical_system": "Rh-Tb",
"density": 9.610579333761795,
"density_atomic": 0.04196428377338519,
"volume": 381.2766133791995,
"volume_molar": 14.350633964160242,
"formula_full": "Tb10 Rh6",
"formula_reduced": "Tb5Rh3",
"formula_anonymous": "A3B5",
"energy": -101.65577476,
"energy_per_atom": -6.3534859225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.65577476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.259000Z",
"spacegroup": 193
},
{
"id": "mp-1247835",
"created_at": "2022-09-04T14:40:55.716944Z",
"structure_string": "Al8 Si4 H2 O18 F6\n1.0\n4.721648 0.000000 0.000000\n0.000000 8.491011 0.002049\n0.000000 0.001708 8.928610\nAl Si H O F\n8 4 2 18 6\ndirect\n0.097620 0.582962 0.868420 Al\n0.096290 0.917838 0.869063 Al\n0.402546 0.920555 0.367317 Al\n0.405329 0.582954 0.370844 Al\n0.597620 0.417038 0.631580 Al\n0.596290 0.082162 0.630937 Al\n0.902546 0.079445 0.132683 Al\n0.905329 0.417046 0.129156 Al\n0.100494 0.250836 0.443215 Si\n0.397313 0.250638 0.939337 Si\n0.600494 0.749164 0.056785 Si\n0.897313 0.749362 0.560663 Si\n0.491813 0.166953 0.252965 H\n0.991813 0.833047 0.247035 H\n0.051950 0.252090 0.257466 O\n0.089768 0.933392 0.247075 O\n0.201908 0.747532 0.467771 O\n0.205350 0.094929 0.987057 O\n0.209328 0.408103 0.988388 O\n0.287202 0.094382 0.493755 O\n0.290937 0.408037 0.489875 O\n0.294625 0.749031 0.967545 O\n0.463302 0.250558 0.756677 O\n0.551950 0.747910 0.242534 O\n0.589768 0.066608 0.252925 O\n0.701909 0.252468 0.032229 O\n0.709328 0.591897 0.511612 O\n0.705350 0.905071 0.512943 O\n0.790937 0.591963 0.010125 O\n0.787202 0.905618 0.006245 O\n0.794625 0.250969 0.532455 O\n0.963302 0.749442 0.743323 O\n0.098963 0.558318 0.247365 F\n0.406210 0.555825 0.749573 F\n0.404050 0.944528 0.750341 F\n0.598963 0.441682 0.252635 F\n0.904050 0.055472 0.749659 F\n0.906210 0.444175 0.750427 F\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Al",
"Si",
"H",
"O",
"F"
],
"chemical_system": "Al-F-H-O-Si",
"density": 3.3965337362173065,
"density_atomic": 0.10615653939572475,
"volume": 357.96193259791187,
"volume_molar": 5.6728872232269945,
"formula_full": "Al8 Si4 H2 O18 F6",
"formula_reduced": "Al4Si2H(O3F)3",
"formula_anonymous": "AB2C3D4E9",
"energy": -284.78124517,
"energy_per_atom": -7.494243293947368,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -269.64324517,
"band_gap": 5.355500000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0110534,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.658000Z",
"spacegroup": 4
}
]
}