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=12167",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12165",
"results": [
{
"id": "mp-1176126",
"created_at": "2022-09-04T14:43:53.536303Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.969124 0.000000 0.000000\n1.143923 7.708141 0.000000\n0.067866 0.234114 12.580470\nLi Mn Co O\n9 2 5 16\ndirect\n0.198250 0.621937 0.057404 Li\n0.937941 0.125888 0.311391 Li\n0.685007 0.625143 0.565252 Li\n0.794096 0.381326 0.932269 Li\n0.556535 0.876232 0.188867 Li\n0.309462 0.375451 0.438349 Li\n0.449487 0.112875 0.811585 Li\n0.067938 0.871779 0.696977 Li\n0.606848 0.759097 0.870849 Li\n0.009366 0.993020 0.996498 Mn\n0.500399 0.001131 0.501358 Mn\n0.744360 0.499981 0.246254 Co\n0.243587 0.510764 0.755475 Co\n0.383166 0.247284 0.124501 Co\n0.130145 0.747399 0.375864 Co\n0.868251 0.252931 0.629456 Co\n0.574583 0.834866 0.028271 O\n0.330957 0.319877 0.269260 O\n0.134546 0.815082 0.524432 O\n0.224386 0.549754 0.891922 O\n0.003463 0.071752 0.148334 O\n0.717149 0.567909 0.398102 O\n0.878668 0.321180 0.774106 O\n0.454613 0.069103 0.650415 O\n0.749243 0.427157 0.096134 O\n0.543251 0.930905 0.350811 O\n0.288221 0.434685 0.608426 O\n0.439471 0.166635 0.979797 O\n0.157570 0.679505 0.223516 O\n0.862440 0.190534 0.477139 O\n0.022732 0.946913 0.855407 O\n0.633871 0.671906 0.721575 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.169782693815558,
"density_atomic": 0.1111412113863846,
"volume": 287.9220012165548,
"volume_molar": 5.418458810084325,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.29496172,
"energy_per_atom": -6.50921755375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.77696172,
"band_gap": 0.2252,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9998551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.067000Z",
"spacegroup": 1
},
{
"id": "mp-1235544",
"created_at": "2022-09-04T14:43:54.175211Z",
"structure_string": "Sr1 Li1 U2 O6\n1.0\n3.267984 0.000523 2.306645\n0.068704 5.721727 10.303802\n0.047414 0.005678 6.866039\nSr Li U O\n1 1 2 6\ndirect\n0.998667 0.694630 0.957997 Sr\n0.498510 0.363952 0.452171 Li\n0.996736 0.989279 0.016218 U\n0.004162 0.334655 0.997378 U\n0.251611 0.312286 0.280460 O\n0.230567 0.652310 0.290547 O\n0.731687 0.033556 0.718673 O\n0.271698 0.032952 0.179326 O\n0.748155 0.311580 0.784678 O\n0.768205 0.652578 0.752553 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Li",
"U",
"O"
],
"chemical_system": "Li-O-Sr-U",
"density": 8.677214397145141,
"density_atomic": 0.07838915907495322,
"volume": 127.56866023321308,
"volume_molar": 7.6823642848902365,
"formula_full": "Sr1 Li1 U2 O6",
"formula_reduced": "SrLiU2O6",
"formula_anonymous": "ABC2D6",
"energy": -88.58018146999999,
"energy_per_atom": -8.858018147,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.45818147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.894000Z",
"spacegroup": 44
},
{
"id": "mp-1178776",
"created_at": "2022-09-04T14:43:53.467921Z",
"structure_string": "Y2 N6 O28\n1.0\n7.156688 0.000000 0.000000\n2.556984 8.974135 0.000000\n1.284544 3.909194 8.981866\nY N O\n2 6 28\ndirect\n0.184570 0.331346 0.771722 Y\n0.815430 0.668654 0.228278 Y\n0.027982 0.165957 0.058275 N\n0.972018 0.834043 0.941725 N\n0.988294 0.672485 0.610673 N\n0.011706 0.327515 0.389327 N\n0.492666 0.171292 0.639947 N\n0.507334 0.828708 0.360053 N\n0.191050 0.105201 0.006782 O\n0.808950 0.894799 0.993218 O\n0.947185 0.315827 0.975653 O\n0.052815 0.684173 0.024347 O\n0.953311 0.088360 0.175123 O\n0.046689 0.911640 0.824877 O\n0.004103 0.605641 0.753118 O\n0.995897 0.394359 0.246882 O\n0.103505 0.585466 0.543833 O\n0.896495 0.414534 0.456167 O\n0.875883 0.801681 0.543035 O\n0.124117 0.198319 0.456965 O\n0.409474 0.097142 0.765529 O\n0.590526 0.902858 0.234471 O\n0.433183 0.329507 0.587619 O\n0.566817 0.670493 0.412381 O\n0.613096 0.099878 0.576399 O\n0.386904 0.900122 0.423601 O\n0.928531 0.271868 0.714008 O\n0.071469 0.728132 0.285992 O\n0.481370 0.611902 0.730230 O\n0.518630 0.388098 0.269770 O\n0.592389 0.243900 0.944949 O\n0.407611 0.756100 0.055051 O\n0.434144 0.336810 0.952393 O\n0.565856 0.663190 0.047607 O\n0.498194 0.274022 0.246499 O\n0.501806 0.725978 0.753501 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Y",
"N",
"O"
],
"chemical_system": "N-O-Y",
"density": 2.043314955630778,
"density_atomic": 0.06240670406784157,
"volume": 576.8611007058606,
"volume_molar": 9.649829853942299,
"formula_full": "Y2 N6 O28",
"formula_reduced": "YN3O14",
"formula_anonymous": "AB3C14",
"energy": -222.41748391,
"energy_per_atom": -6.178263441944444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.90948391,
"band_gap": 0.0117,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2307024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.189000Z",
"spacegroup": 2
},
{
"id": "mp-1104501",
"created_at": "2022-09-04T14:43:55.187771Z",
"structure_string": "K3 Yb1 V2 O8\n1.0\n-3.001462 -5.203482 0.000003\n-3.003376 5.204583 -0.000547\n-0.000643 0.000701 -7.793823\nK Yb V O\n3 1 2 8\ndirect\n0.666658 0.333300 0.308667 K\n0.333342 0.666700 0.691333 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Yb\n0.666484 0.333355 0.756173 V\n0.333516 0.666645 0.243827 V\n0.666458 0.333386 0.977263 O\n0.333542 0.666614 0.022737 O\n0.824579 0.649229 0.679507 O\n0.350642 0.175357 0.679408 O\n0.824484 0.175274 0.679539 O\n0.175421 0.350771 0.320493 O\n0.649358 0.824643 0.320592 O\n0.175516 0.824726 0.320461 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Yb",
"V",
"O"
],
"chemical_system": "K-O-V-Yb",
"density": 3.546815254635563,
"density_atomic": 0.057482575907290195,
"volume": 243.55206389114616,
"volume_molar": 10.476462936721397,
"formula_full": "K3 Yb1 V2 O8",
"formula_reduced": "K3YbV2O8",
"formula_anonymous": "AB2C3D8",
"energy": -97.70610514,
"energy_per_atom": -6.979007510000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.81010514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0030497,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.021000Z",
"spacegroup": 164
},
{
"id": "mp-540743",
"created_at": "2022-09-04T14:43:55.601923Z",
"structure_string": "Th2 Zn17\n1.0\n5.137005 -4.543865 0.000000\n5.137005 4.543865 0.000000\n1.117794 0.000000 6.766540\nTh Zn\n2 17\ndirect\n0.337008 0.337008 0.337008 Th\n0.662992 0.662992 0.662992 Th\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.706814 0.293186 0.000000 Zn\n0.293186 0.000000 0.706814 Zn\n0.000000 0.706814 0.293186 Zn\n0.293186 0.706814 0.000000 Zn\n0.706814 0.000000 0.293186 Zn\n0.000000 0.293186 0.706814 Zn\n0.161090 0.649478 0.649478 Zn\n0.649478 0.649478 0.161090 Zn\n0.649478 0.161090 0.649478 Zn\n0.350522 0.838910 0.350522 Zn\n0.838910 0.350522 0.350522 Zn\n0.350522 0.350522 0.838910 Zn\n0.098578 0.098578 0.098578 Zn\n0.901422 0.901422 0.901422 Zn\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Th",
"Zn"
],
"chemical_system": "Th-Zn",
"density": 8.284785671938211,
"density_atomic": 0.06014804881914937,
"volume": 315.8872211653682,
"volume_molar": 10.012196369174202,
"formula_full": "Th2 Zn17",
"formula_reduced": "Th2Zn17",
"formula_anonymous": "A2B17",
"energy": -40.55681218,
"energy_per_atom": -2.134569062105263,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.55681218,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005232,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.572000Z",
"spacegroup": 166
},
{
"id": "mp-1195428",
"created_at": "2022-09-04T14:43:55.658975Z",
"structure_string": "Sr4 V8 H32 O40\n1.0\n3.636900 10.172369 0.000000\n-3.636900 10.172369 0.000000\n0.000000 8.044169 12.429060\nSr V H O\n4 8 32 40\ndirect\n0.282091 0.317961 0.960577 Sr\n0.682039 0.717909 0.539423 Sr\n0.717909 0.682039 0.039423 Sr\n0.317961 0.282091 0.460577 Sr\n0.064253 0.082416 0.132775 V\n0.917584 0.935747 0.367225 V\n0.935747 0.917584 0.867225 V\n0.082416 0.064253 0.632775 V\n0.058083 0.091065 0.382917 V\n0.908935 0.941917 0.117083 V\n0.941917 0.908935 0.617083 V\n0.091065 0.058083 0.882917 V\n0.270022 0.594111 0.731171 H\n0.405889 0.729978 0.768829 H\n0.729978 0.405889 0.268829 H\n0.594111 0.270022 0.231171 H\n0.500915 0.407024 0.713766 H\n0.592976 0.499085 0.786234 H\n0.499085 0.592976 0.286234 H\n0.407024 0.500915 0.213766 H\n0.965555 0.441858 0.216933 H\n0.558142 0.034445 0.283067 H\n0.034445 0.558142 0.783067 H\n0.441858 0.965555 0.716933 H\n0.995723 0.587867 0.149357 H\n0.412133 0.004277 0.350643 H\n0.004277 0.412133 0.850643 H\n0.587867 0.995723 0.649357 H\n0.527829 0.661477 0.951512 H\n0.338523 0.472171 0.548488 H\n0.472171 0.338523 0.048488 H\n0.661477 0.527829 0.451512 H\n0.732487 0.440662 0.969076 H\n0.559338 0.267513 0.530924 H\n0.267513 0.559338 0.030924 H\n0.440662 0.732487 0.469076 H\n0.585412 0.009597 0.817661 H\n0.990403 0.414588 0.682339 H\n0.414588 0.990403 0.182339 H\n0.009597 0.585412 0.317661 H\n0.436440 0.980848 0.880045 H\n0.019152 0.563560 0.619955 H\n0.563560 0.019152 0.119955 H\n0.980848 0.436440 0.380045 H\n0.006053 0.078130 0.029690 O\n0.921870 0.993947 0.470310 O\n0.993947 0.921870 0.970310 O\n0.078130 0.006053 0.529690 O\n0.985090 0.102932 0.280623 O\n0.897068 0.014910 0.219377 O\n0.014910 0.897068 0.719377 O\n0.102932 0.985090 0.780623 O\n0.013463 0.295448 0.069340 O\n0.704552 0.986537 0.430660 O\n0.986537 0.704552 0.930660 O\n0.295448 0.013463 0.569340 O\n0.310013 0.892848 0.115063 O\n0.107152 0.689987 0.384937 O\n0.689987 0.107152 0.884937 O\n0.892848 0.310013 0.615063 O\n0.931091 0.333945 0.358686 O\n0.666055 0.068909 0.141314 O\n0.068909 0.666055 0.641314 O\n0.333945 0.931091 0.858686 O\n0.301959 0.960468 0.325863 O\n0.039532 0.698041 0.174137 O\n0.698041 0.039532 0.674137 O\n0.960468 0.301959 0.825863 O\n0.374255 0.455356 0.764078 O\n0.544644 0.625745 0.735922 O\n0.625745 0.544644 0.235922 O\n0.455356 0.374255 0.264078 O\n0.985721 0.509481 0.142281 O\n0.490519 0.014279 0.357719 O\n0.014279 0.490519 0.857719 O\n0.509482 0.985721 0.642281 O\n0.619222 0.557354 0.001738 O\n0.442646 0.380778 0.498262 O\n0.380778 0.442646 0.998262 O\n0.557354 0.619222 0.501738 O\n0.509099 0.994875 0.890465 O\n0.005125 0.490901 0.609535 O\n0.490901 0.005125 0.109535 O\n0.994875 0.509099 0.390465 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Sr",
"V",
"H",
"O"
],
"chemical_system": "H-O-Sr-V",
"density": 2.582479621759634,
"density_atomic": 0.09133927083065357,
"volume": 919.6482436972717,
"volume_molar": 6.59315615860923,
"formula_full": "Sr4 V8 H32 O40",
"formula_reduced": "SrV2(H4O5)2",
"formula_anonymous": "AB2C8D10",
"energy": -542.25617232,
"energy_per_atom": -6.455430622857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -501.17617232,
"band_gap": 3.1307,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.529000Z",
"spacegroup": 15
},
{
"id": "mp-1101413",
"created_at": "2022-09-04T14:43:55.661707Z",
"structure_string": "Sn8 P4 O18\n1.0\n7.027465 0.000000 0.000000\n3.319842 8.376817 0.000000\n1.662076 1.606693 8.908337\nSn P O\n8 4 18\ndirect\n0.364648 0.755348 0.090557 Sn\n0.879895 0.718089 0.085886 Sn\n0.229083 0.439652 0.355389 Sn\n0.865021 0.982314 0.372332 Sn\n0.134979 0.017686 0.627668 Sn\n0.770917 0.560348 0.644611 Sn\n0.120105 0.281911 0.914114 Sn\n0.635352 0.244652 0.909443 Sn\n0.384848 0.095917 0.257768 P\n0.755023 0.383755 0.238157 P\n0.244977 0.616245 0.761843 P\n0.615152 0.904083 0.742232 P\n0.822511 0.322455 0.084157 O\n0.337476 0.281333 0.185651 O\n0.275859 0.019020 0.182664 O\n0.896090 0.478713 0.250322 O\n0.761692 0.245504 0.374052 O\n0.625647 0.006875 0.236249 O\n0.312790 0.094730 0.428153 O\n0.526115 0.505130 0.238572 O\n0.113946 0.685508 0.219052 O\n0.886054 0.314492 0.780948 O\n0.473885 0.494870 0.761428 O\n0.687210 0.905270 0.571847 O\n0.374353 0.993125 0.763751 O\n0.238308 0.754496 0.625948 O\n0.103910 0.521287 0.749678 O\n0.724141 0.980980 0.817336 O\n0.662524 0.718667 0.814349 O\n0.177489 0.677545 0.915843 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sn",
"P",
"O"
],
"chemical_system": "O-P-Sn",
"density": 4.31134601618804,
"density_atomic": 0.05720670020895421,
"volume": 524.4140964331358,
"volume_molar": 10.526985017495193,
"formula_full": "Sn8 P4 O18",
"formula_reduced": "Sn4P2O9",
"formula_anonymous": "A2B4C9",
"energy": -206.75487759,
"energy_per_atom": -6.891829253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.38887759,
"band_gap": 2.0093000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.092000Z",
"spacegroup": 2
},
{
"id": "mp-43134",
"created_at": "2022-09-04T14:43:55.673328Z",
"structure_string": "Na4 Nd4 Ti4 Nb4 O24 F4\n1.0\n7.378429 0.000000 0.000000\n0.000000 7.378429 0.000000\n0.000000 0.000000 10.475477\nNa Nd Ti Nb O F\n4 4 4 4 24 4\ndirect\n0.500000 0.729606 0.000000 Na\n0.500000 0.270394 0.500000 Na\n0.729606 0.500000 0.750000 Na\n0.270394 0.500000 0.250000 Na\n0.000000 0.725994 0.000000 Nd\n0.274006 0.000000 0.250000 Nd\n0.725994 0.000000 0.750000 Nd\n0.000000 0.274006 0.500000 Nd\n0.764671 0.000000 0.250000 Ti\n0.000000 0.235329 0.000000 Ti\n0.235329 0.000000 0.750000 Ti\n0.000000 0.764671 0.500000 Ti\n0.500000 0.757483 0.500000 Nb\n0.242517 0.500000 0.750000 Nb\n0.500000 0.242517 0.000000 Nb\n0.757483 0.500000 0.250000 Nb\n0.556722 0.948101 0.367710 O\n0.751468 0.773190 0.571739 O\n0.958366 0.958366 0.375000 O\n0.041634 0.041634 0.875000 O\n0.051899 0.443278 0.882290 O\n0.041634 0.958366 0.625000 O\n0.226810 0.248532 0.678261 O\n0.226810 0.751468 0.821739 O\n0.248532 0.226810 0.071739 O\n0.443278 0.051899 0.867710 O\n0.437841 0.437841 0.875000 O\n0.443278 0.948101 0.632290 O\n0.562159 0.437841 0.125000 O\n0.562159 0.562159 0.375000 O\n0.556722 0.051899 0.132290 O\n0.773190 0.751468 0.178261 O\n0.751468 0.226810 0.928261 O\n0.773190 0.248532 0.321739 O\n0.948101 0.556722 0.382290 O\n0.958366 0.041634 0.125000 O\n0.948101 0.443278 0.117710 O\n0.051899 0.556722 0.617710 O\n0.248532 0.773190 0.428261 O\n0.437841 0.562159 0.625000 O\n0.741283 0.258717 0.625000 F\n0.258717 0.741283 0.125000 F\n0.258717 0.258717 0.375000 F\n0.741283 0.741283 0.875000 F\n",
"nsites": 44,
"nelements": 6,
"elements": [
"Na",
"Nd",
"Ti",
"Nb",
"O",
"F"
],
"chemical_system": "F-Na-Nb-Nd-O-Ti",
"density": 4.926605581951983,
"density_atomic": 0.07715268839111614,
"volume": 570.2976904310498,
"volume_molar": 7.805484015633379,
"formula_full": "Na4 Nd4 Ti4 Nb4 O24 F4",
"formula_reduced": "NaNdTiNbO6F",
"formula_anonymous": "ABCDEF6",
"energy": -371.05547285,
"energy_per_atom": -8.43307892840909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -352.71947285,
"band_gap": 2.7863,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.865000Z",
"spacegroup": 91
},
{
"id": "mp-1217957",
"created_at": "2022-09-04T14:43:53.473477Z",
"structure_string": "Ta2 Mo4 W4 Se20\n1.0\n1.678513 -2.907270 0.000000\n1.678513 2.907270 0.000000\n0.000000 0.000000 67.369902\nTa Mo W Se\n2 4 4 20\ndirect\n0.666667 0.333333 0.149986 Ta\n0.666667 0.333333 0.349996 Ta\n0.666667 0.333333 0.550003 Mo\n0.666667 0.333333 0.749998 Mo\n0.666667 0.333333 0.950012 Mo\n0.333333 0.666667 0.049991 Mo\n0.333333 0.666667 0.250003 W\n0.333333 0.666667 0.450012 W\n0.333333 0.666667 0.650000 W\n0.333333 0.666667 0.849994 W\n0.666667 0.333333 0.025313 Se\n0.666667 0.333333 0.225216 Se\n0.666667 0.333333 0.425232 Se\n0.666667 0.333333 0.625209 Se\n0.666667 0.333333 0.825205 Se\n0.333333 0.666667 0.175532 Se\n0.333333 0.666667 0.375530 Se\n0.333333 0.666667 0.574673 Se\n0.333333 0.666667 0.774671 Se\n0.333333 0.666667 0.974690 Se\n0.333333 0.666667 0.124438 Se\n0.333333 0.666667 0.324470 Se\n0.333333 0.666667 0.525329 Se\n0.333333 0.666667 0.725327 Se\n0.333333 0.666667 0.925343 Se\n0.666667 0.333333 0.074657 Se\n0.666667 0.333333 0.274786 Se\n0.666667 0.333333 0.474808 Se\n0.666667 0.333333 0.674790 Se\n0.666667 0.333333 0.874786 Se\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ta",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Ta-W",
"density": 7.728499044797094,
"density_atomic": 0.04562630165074793,
"volume": 657.5154880980415,
"volume_molar": 13.198836070688367,
"formula_full": "Ta2 Mo4 W4 Se20",
"formula_reduced": "TaMo2(WSe5)2",
"formula_anonymous": "AB2C2D10",
"energy": -217.55130344,
"energy_per_atom": -7.2517101146666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -208.11130344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1501877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.205000Z",
"spacegroup": 156
},
{
"id": "mp-1002117",
"created_at": "2022-09-04T14:43:53.488602Z",
"structure_string": "Tc1 N1\n1.0\n2.681072 0.000000 0.000000\n0.000000 2.681072 0.000000\n0.000000 0.000000 2.681072\nTc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"N"
],
"chemical_system": "N-Tc",
"density": 9.650896724670822,
"density_atomic": 0.10377782499846057,
"volume": 19.271939839071283,
"volume_molar": 5.802916721456951,
"formula_full": "Tc1 N1",
"formula_reduced": "TcN",
"formula_anonymous": "AB",
"energy": -17.51340117,
"energy_per_atom": -8.756700585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.15240117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.063000Z",
"spacegroup": 221
},
{
"id": "mp-1189224",
"created_at": "2022-09-04T14:43:53.746385Z",
"structure_string": "Dy1 Fe4 Cu3 O12\n1.0\n-3.728101 3.728101 3.728101\n3.728101 -3.728101 3.728101\n3.728101 3.728101 -3.728101\nDy Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.164298 0.856746 0.692447 O\n0.835702 0.143254 0.307553 O\n0.835702 0.528149 0.692447 O\n0.164298 0.471851 0.307553 O\n0.856746 0.692447 0.164298 O\n0.143254 0.307553 0.835702 O\n0.528149 0.692447 0.835702 O\n0.471851 0.307553 0.164298 O\n0.692447 0.164298 0.856746 O\n0.307553 0.835702 0.143254 O\n0.692447 0.835702 0.528149 O\n0.307553 0.164298 0.471851 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Dy",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Dy-Fe-O",
"density": 6.157098091373918,
"density_atomic": 0.0964954855343471,
"volume": 207.26358222096408,
"volume_molar": 6.240852332782396,
"formula_full": "Dy1 Fe4 Cu3 O12",
"formula_reduced": "DyFe4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -143.09948409999998,
"energy_per_atom": -7.154974204999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.8314841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.8599227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.945000Z",
"spacegroup": 204
},
{
"id": "mp-510642",
"created_at": "2022-09-04T14:43:53.756531Z",
"structure_string": "Cu2 Ni4 P4 O16\n1.0\n9.578486 0.000000 0.000000\n0.000000 4.730460 0.000000\n0.000000 4.675059 6.472692\nCu Ni P O\n2 4 4 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.625587 0.174848 0.851807 Ni\n0.125587 0.825152 0.648193 Ni\n0.374413 0.825152 0.148193 Ni\n0.874413 0.174848 0.351807 Ni\n0.823752 0.660414 0.850336 P\n0.323752 0.339586 0.649664 P\n0.176248 0.339586 0.149664 P\n0.676248 0.660414 0.350336 P\n0.888841 0.612699 0.046098 O\n0.388841 0.387301 0.453902 O\n0.111159 0.387301 0.953902 O\n0.611159 0.612699 0.546098 O\n0.672644 0.784799 0.825252 O\n0.172644 0.215201 0.674748 O\n0.327356 0.215201 0.174748 O\n0.827356 0.784799 0.325252 O\n0.917569 0.916067 0.660010 O\n0.417569 0.083933 0.839990 O\n0.324241 0.701777 0.614873 O\n0.824241 0.298223 0.885127 O\n0.675759 0.298223 0.385127 O\n0.175759 0.701777 0.114873 O\n0.582431 0.916067 0.160010 O\n0.082431 0.083933 0.339990 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Cu",
"Ni",
"P",
"O"
],
"chemical_system": "Cu-Ni-O-P",
"density": 4.199736869342464,
"density_atomic": 0.0886519234635362,
"volume": 293.28184865265973,
"volume_molar": 6.793017595920513,
"formula_full": "Cu2 Ni4 P4 O16",
"formula_reduced": "CuNi2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -184.84095722,
"energy_per_atom": -7.1092675853846155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.68495722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000288,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.828000Z",
"spacegroup": 14
}
]
}