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=12143",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=12141",
"results": [
{
"id": "mp-631471",
"created_at": "2022-09-04T14:48:25.811277Z",
"structure_string": "Y1 Sc1 Be1\n1.0\n0.000000 3.252937 3.252937\n3.252937 0.000000 3.252937\n3.252937 3.252937 0.000000\nY Sc Be\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Be"
],
"chemical_system": "Be-Sc-Y",
"density": 3.446237297034705,
"density_atomic": 0.04357769972867195,
"volume": 68.84255063206446,
"volume_molar": 13.819317672790637,
"formula_full": "Y1 Sc1 Be1",
"formula_reduced": "YScBe",
"formula_anonymous": "ABC",
"energy": -13.88587111,
"energy_per_atom": -4.628623703333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.88587111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:31.908000Z",
"spacegroup": 216
},
{
"id": "mp-1177403",
"created_at": "2022-09-04T14:48:25.593787Z",
"structure_string": "Li4 Fe1 P6 H8 O22\n1.0\n6.977122 0.000000 0.000000\n0.517534 7.469157 0.000000\n2.027027 0.622596 8.323579\nLi Fe P H O\n4 1 6 8 22\ndirect\n0.927436 0.648390 0.418751 Li\n0.683719 0.553734 0.758765 Li\n0.316281 0.446266 0.241235 Li\n0.072564 0.351610 0.581249 Li\n0.000000 0.000000 0.000000 Fe\n0.779664 0.979279 0.694073 P\n0.557122 0.789370 0.167493 P\n0.343579 0.709357 0.493296 P\n0.656421 0.290643 0.506704 P\n0.442878 0.210630 0.832507 P\n0.220336 0.020721 0.305927 P\n0.264722 0.761329 0.812095 H\n0.275467 0.731317 0.994309 H\n0.976886 0.614143 0.120011 H\n0.036933 0.586638 0.816596 H\n0.963067 0.413362 0.183404 H\n0.023114 0.385857 0.879989 H\n0.724533 0.268683 0.005691 H\n0.735278 0.238671 0.187905 H\n0.438522 0.983394 0.187799 O\n0.245992 0.910097 0.472836 O\n0.804297 0.785080 0.661709 O\n0.068968 0.933605 0.242241 O\n0.767957 0.820002 0.086009 O\n0.182991 0.773102 0.924384 O\n0.548679 0.720879 0.355086 O\n0.397847 0.683050 0.651670 O\n0.448032 0.659784 0.099817 O\n0.982891 0.474372 0.800730 O\n0.210757 0.577315 0.451928 O\n0.789243 0.422685 0.548072 O\n0.017109 0.525628 0.199270 O\n0.551968 0.340216 0.900183 O\n0.602153 0.316950 0.348330 O\n0.451321 0.279121 0.644914 O\n0.817009 0.226898 0.075616 O\n0.232043 0.179998 0.913991 O\n0.931032 0.066395 0.757759 O\n0.195703 0.214920 0.338291 O\n0.754008 0.089903 0.527164 O\n0.561478 0.016606 0.812201 O\n",
"nsites": 41,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 2.4098395410301214,
"density_atomic": 0.09452046414732726,
"volume": 433.7685005026433,
"volume_molar": 6.371256017758657,
"formula_full": "Li4 Fe1 P6 H8 O22",
"formula_reduced": "Li4FeP6(H4O11)2",
"formula_anonymous": "AB4C6D8E22",
"energy": -274.86803717,
"energy_per_atom": -6.704098467560975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.49803717,
"band_gap": 4.0633,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9999909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:33.443000Z",
"spacegroup": 2
},
{
"id": "mp-30858",
"created_at": "2022-09-04T14:48:25.621915Z",
"structure_string": "Zr1 Pt3\n1.0\n4.056301 0.000000 0.000000\n0.000000 4.056301 0.000000\n0.000000 0.000000 4.056301\nZr Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 16.83104057865934,
"density_atomic": 0.05993347615406067,
"volume": 66.74066409426825,
"volume_molar": 10.048041839789034,
"formula_full": "Zr1 Pt3",
"formula_reduced": "ZrPt3",
"formula_anonymous": "AB3",
"energy": -30.78821475,
"energy_per_atom": -7.6970536875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.78821475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004666,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:07.214000Z",
"spacegroup": 221
},
{
"id": "mp-865233",
"created_at": "2022-09-04T14:48:25.656198Z",
"structure_string": "Tm1 Mg1 Zn2\n1.0\n0.000000 3.392645 3.392645\n3.392645 0.000000 3.392645\n3.392645 3.392645 0.000000\nTm Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Zn"
],
"chemical_system": "Mg-Tm-Zn",
"density": 6.890100166151367,
"density_atomic": 0.05121707128861852,
"volume": 78.09895996315747,
"volume_molar": 11.758073252693467,
"formula_full": "Tm1 Mg1 Zn2",
"formula_reduced": "TmMgZn2",
"formula_anonymous": "ABC2",
"energy": -9.912136,
"energy_per_atom": -2.478034,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.912136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:15.374000Z",
"spacegroup": 225
},
{
"id": "mp-427",
"created_at": "2022-09-04T14:48:25.662075Z",
"structure_string": "Fe4 As4\n1.0\n3.315014 0.000000 0.000000\n0.000000 5.397281 0.000000\n0.000000 0.000000 5.997859\nFe As\n4 4\ndirect\n0.750000 0.999606 0.200127 Fe\n0.250000 0.000394 0.799873 Fe\n0.750000 0.499606 0.299873 Fe\n0.250000 0.500394 0.700127 Fe\n0.750000 0.800820 0.576032 As\n0.250000 0.199180 0.423968 As\n0.750000 0.300820 0.923968 As\n0.250000 0.699180 0.076032 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"As"
],
"chemical_system": "As-Fe",
"density": 8.093740434863395,
"density_atomic": 0.07454754377722607,
"volume": 107.3140655566973,
"volume_molar": 8.078255103878737,
"formula_full": "Fe4 As4",
"formula_reduced": "FeAs",
"formula_anonymous": "AB",
"energy": -54.14223258,
"energy_per_atom": -6.7677790725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.14223258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1608215,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:16.754000Z",
"spacegroup": 62
},
{
"id": "mp-1018138",
"created_at": "2022-09-04T14:48:25.677604Z",
"structure_string": "V1 I2\n1.0\n2.056344 -3.561693 0.000000\n2.056344 3.561693 0.000000\n0.000000 0.000000 7.142424\nV I\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.666667 0.333333 0.779874 I\n0.333333 0.666667 0.220126 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"I"
],
"chemical_system": "I-V",
"density": 4.836882798052367,
"density_atomic": 0.028674336673207255,
"volume": 104.62316998611311,
"volume_molar": 21.00184854712602,
"formula_full": "V1 I2",
"formula_reduced": "VI2",
"formula_anonymous": "AB2",
"energy": -14.35542344,
"energy_per_atom": -4.785141146666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.59742344,
"band_gap": 1.0370000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0008342,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:30.813000Z",
"spacegroup": 164
},
{
"id": "mp-757564",
"created_at": "2022-09-04T14:48:25.680437Z",
"structure_string": "Li5 Mn3 Fe2 O10\n1.0\n5.222353 0.000000 0.000000\n-0.856526 5.163713 0.000000\n-2.464253 -2.276905 7.059399\nLi Mn Fe O\n5 3 2 10\ndirect\n0.079063 0.789318 0.585466 Li\n0.719248 0.605155 0.218116 Li\n0.500000 0.500000 0.500000 Li\n0.280752 0.394845 0.781884 Li\n0.920937 0.210682 0.414534 Li\n0.500000 0.000000 0.000000 Mn\n0.105003 0.302395 0.102882 Mn\n0.894997 0.697605 0.897118 Mn\n0.302859 0.897560 0.312085 Fe\n0.697141 0.102440 0.687915 Fe\n0.912622 0.925767 0.143498 O\n0.284622 0.676547 0.040846 O\n0.685879 0.864584 0.449684 O\n0.530142 0.768931 0.771847 O\n0.112588 0.543458 0.334715 O\n0.887412 0.456542 0.665285 O\n0.469858 0.231069 0.228153 O\n0.314121 0.135416 0.550316 O\n0.715378 0.323453 0.959154 O\n0.087378 0.074233 0.856502 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.110183574029533,
"density_atomic": 0.10505916536739311,
"volume": 190.36892145544627,
"volume_molar": 5.7321422066704075,
"formula_full": "Li5 Mn3 Fe2 O10",
"formula_reduced": "Li5Mn3(FeO5)2",
"formula_anonymous": "A2B3C5D10",
"energy": -144.3761207,
"energy_per_atom": -7.218806035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.9901207,
"band_gap": 1.0806,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.9998287,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.474000Z",
"spacegroup": 2
},
{
"id": "mp-1184297",
"created_at": "2022-09-04T14:48:25.683836Z",
"structure_string": "Er1 Mg5\n1.0\n1.628602 -2.820821 0.000000\n1.628602 2.820821 0.000000\n0.000000 0.000000 15.993471\nEr Mg\n1 5\ndirect\n0.666667 0.333333 0.500000 Er\n0.000000 0.000000 0.677349 Mg\n0.666667 0.333333 0.838649 Mg\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.161351 Mg\n0.000000 0.000000 0.322651 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Mg"
],
"chemical_system": "Er-Mg",
"density": 3.263315098095581,
"density_atomic": 0.040830813767569175,
"volume": 146.94784272866096,
"volume_molar": 14.749009888172314,
"formula_full": "Er1 Mg5",
"formula_reduced": "ErMg5",
"formula_anonymous": "AB5",
"energy": -12.37187441,
"energy_per_atom": -2.061979068333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.37187441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2782408,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:47.953000Z",
"spacegroup": 187
},
{
"id": "mp-882899",
"created_at": "2022-09-04T14:48:25.696952Z",
"structure_string": "Li17 Fe4 C16 O48\n1.0\n8.507661 0.000000 0.000000\n-0.100994 9.728504 0.000000\n-0.256307 -0.034503 11.274126\nLi Fe C O\n17 4 16 48\ndirect\n0.562433 0.370432 0.072969 Li\n0.555928 0.859586 0.155299 Li\n0.042377 0.645395 0.150723 Li\n0.699779 0.103730 0.233590 Li\n0.197179 0.391581 0.220327 Li\n0.535718 0.342541 0.322741 Li\n0.043168 0.160388 0.316452 Li\n0.084632 0.586419 0.422572 Li\n0.412706 0.093364 0.577566 Li\n0.959604 0.839324 0.679480 Li\n0.464737 0.659922 0.669748 Li\n0.803814 0.601492 0.771493 Li\n0.296230 0.895187 0.776959 Li\n0.951049 0.353843 0.845675 Li\n0.447607 0.142028 0.851279 Li\n0.942149 0.872632 0.941867 Li\n0.451886 0.633783 0.924302 Li\n0.711214 0.613577 0.296803 Fe\n0.219065 0.894665 0.297439 Fe\n0.782765 0.107756 0.702368 Fe\n0.278992 0.396129 0.705244 Fe\n0.742321 0.628362 0.034372 C\n0.252575 0.868834 0.030137 C\n0.860523 0.366820 0.211598 C\n0.373370 0.136909 0.203915 C\n0.878389 0.868831 0.285219 C\n0.368875 0.634249 0.282460 C\n0.701457 0.145665 0.493080 C\n0.217450 0.352847 0.490381 C\n0.792432 0.644542 0.507922 C\n0.282395 0.847990 0.511160 C\n0.621822 0.365095 0.718017 C\n0.127098 0.131591 0.715344 C\n0.631520 0.864139 0.792574 C\n0.134668 0.634415 0.792981 C\n0.752114 0.119030 0.964893 C\n0.262547 0.386626 0.966601 C\n0.631068 0.189779 0.993807 O\n0.125211 0.345753 0.990924 O\n0.788449 0.007990 0.015523 O\n0.334081 0.482830 0.025290 O\n0.663658 0.677168 0.124515 O\n0.160134 0.834066 0.117427 O\n0.877682 0.236924 0.214082 O\n0.393766 0.268537 0.194715 O\n0.971158 0.453066 0.193782 O\n0.481271 0.051381 0.180931 O\n0.716276 0.416929 0.228404 O\n0.237197 0.089840 0.239281 O\n0.741254 0.912861 0.266821 O\n0.909569 0.736893 0.279532 O\n0.228253 0.589187 0.267574 O\n0.403455 0.765008 0.275395 O\n0.995236 0.952962 0.312066 O\n0.482369 0.548651 0.305862 O\n0.637227 0.183148 0.396245 O\n0.156236 0.324783 0.390143 O\n0.850429 0.547251 0.440909 O\n0.315174 0.964215 0.457052 O\n0.669905 0.703953 0.460454 O\n0.183400 0.769900 0.450950 O\n0.824201 0.205484 0.541891 O\n0.314157 0.273570 0.549058 O\n0.644367 0.044242 0.557320 O\n0.187854 0.468605 0.547262 O\n0.853709 0.679664 0.606877 O\n0.342361 0.816886 0.610814 O\n0.508074 0.450895 0.691405 O\n0.011660 0.045103 0.693499 O\n0.587309 0.233113 0.720791 O\n0.759528 0.408596 0.739504 O\n0.094299 0.261681 0.725008 O\n0.267725 0.087909 0.726383 O\n0.774933 0.909402 0.767341 O\n0.282340 0.593962 0.776639 O\n0.524044 0.951734 0.808102 O\n0.029198 0.541832 0.800186 O\n0.609224 0.732729 0.799979 O\n0.107041 0.764071 0.800009 O\n0.836142 0.167158 0.877150 O\n0.338400 0.328040 0.879112 O\n0.680438 0.526977 0.976770 O\n0.209158 0.963037 0.959480 O\n0.873267 0.684227 0.006664 O\n0.382199 0.804696 0.016389 O\n",
"nsites": 85,
"nelements": 4,
"elements": [
"Li",
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O",
"density": 2.316117675520482,
"density_atomic": 0.09109190891813986,
"volume": 933.1234904341023,
"volume_molar": 6.61106000689021,
"formula_full": "Li17 Fe4 C16 O48",
"formula_reduced": "Li17Fe4(CO3)16",
"formula_anonymous": "A4B16C17D48",
"energy": -619.34625631,
"energy_per_atom": -7.286426544823529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -577.34625631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.5959533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:35.225000Z",
"spacegroup": 1
},
{
"id": "mp-1234096",
"created_at": "2022-09-04T14:48:26.768510Z",
"structure_string": "Ca1 Al2 H4 Pb2 O4 F6\n1.0\n8.144302 -0.812753 -2.898455\n-3.255589 7.257772 0.326891\n-0.762005 0.055760 5.081238\nCa Al H Pb O F\n1 2 4 2 4 6\ndirect\n0.496049 0.997499 0.993223 Ca\n0.197122 0.641311 0.216334 Al\n0.795193 0.353841 0.770369 Al\n0.131294 0.456346 0.762507 H\n0.861125 0.538650 0.224561 H\n0.129488 0.747640 0.747149 H\n0.862156 0.246983 0.239312 H\n0.887881 0.876508 0.684707 Pb\n0.105160 0.119460 0.303246 Pb\n0.071018 0.450082 0.886011 O\n0.921343 0.544854 0.101000 O\n0.171041 0.825569 0.926382 O\n0.821109 0.169319 0.060173 O\n0.289938 0.824667 0.514143 F\n0.702270 0.170560 0.472353 F\n0.221479 0.469355 0.481429 F\n0.771135 0.525891 0.505507 F\n0.448553 0.737931 0.254845 F\n0.543728 0.257236 0.731751 F\n",
"nsites": 19,
"nelements": 6,
"elements": [
"Ca",
"Al",
"H",
"Pb",
"O",
"F"
],
"chemical_system": "Al-Ca-F-H-O-Pb",
"density": 4.223675675668893,
"density_atomic": 0.06999322483140079,
"volume": 271.45484503345966,
"volume_molar": 8.60389098302885,
"formula_full": "Ca1 Al2 H4 Pb2 O4 F6",
"formula_reduced": "CaAl2H4Pb2(O2F3)2",
"formula_anonymous": "AB2C2D4E4F6",
"energy": -109.54535467,
"energy_per_atom": -5.765544982631579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.02535467,
"band_gap": 0.1660999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.232000Z",
"spacegroup": 2
},
{
"id": "mp-1341839",
"created_at": "2022-09-04T14:48:26.784060Z",
"structure_string": "Co2 Si4 O12\n1.0\n4.176096 4.662682 0.000000\n-4.176096 4.662682 0.000000\n0.000000 1.755631 4.985518\nCo Si O\n2 4 12\ndirect\n0.911380 0.088620 0.750000 Co\n0.088620 0.911380 0.250000 Co\n0.390719 0.208335 0.762591 Si\n0.791665 0.609281 0.737409 Si\n0.208335 0.390719 0.262591 Si\n0.609281 0.791665 0.237409 Si\n0.369839 0.346874 0.988134 O\n0.653126 0.630161 0.511866 O\n0.630161 0.653126 0.011866 O\n0.346874 0.369839 0.488134 O\n0.635811 0.088858 0.693547 O\n0.911142 0.364189 0.806453 O\n0.364189 0.911142 0.306453 O\n0.088858 0.635811 0.193547 O\n0.023388 0.194157 0.366773 O\n0.805843 0.976612 0.133227 O\n0.194157 0.023388 0.866773 O\n0.976612 0.805843 0.633227 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Si",
"O"
],
"chemical_system": "Co-O-Si",
"density": 3.610954328574505,
"density_atomic": 0.09270986529862514,
"volume": 194.15409505796072,
"volume_molar": 6.495684942052555,
"formula_full": "Co2 Si4 O12",
"formula_reduced": "Co(SiO3)2",
"formula_anonymous": "AB2C6",
"energy": -137.56054583,
"energy_per_atom": -7.642252546111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.04054583,
"band_gap": 0.3943000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0310543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.122000Z",
"spacegroup": 15
},
{
"id": "mp-1029945",
"created_at": "2022-09-04T14:48:27.002273Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n1.696921 -2.939154 0.000000\n1.696921 2.939154 0.000000\n0.000000 0.000000 38.808441\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333333 0.666667 0.045604 Te\n0.333333 0.666667 0.421370 Te\n0.333333 0.666667 0.142224 Te\n0.333333 0.666667 0.518000 Te\n0.000000 0.000000 0.093900 Mo\n0.000000 0.000000 0.469664 Mo\n0.333333 0.666667 0.281789 W\n0.333333 0.666667 0.657539 W\n0.000000 0.000000 0.324506 Se\n0.000000 0.000000 0.239087 Se\n0.000000 0.000000 0.696389 S\n0.000000 0.000000 0.618676 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.542105820155676,
"density_atomic": 0.030998529145124132,
"volume": 387.1151416191475,
"volume_molar": 19.427182276315335,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy": -84.15343815,
"energy_per_atom": -7.0127865125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.51543815,
"band_gap": 0.5937999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:11.263000Z",
"spacegroup": 156
}
]
}