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_gap_direct&page=32",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=30",
"results": [
{
"id": "mp-1227121",
"created_at": "2022-09-04T14:39:06.479637Z",
"structure_string": "Ca1 Th1 Nb2 O8\n1.0\n5.671082 3.644827 0.000000\n-5.671082 3.644827 0.000000\n0.000000 3.450119 3.909838\nCa Th Nb O\n1 1 2 8\ndirect\n0.629157 0.370843 0.000000 Ca\n0.371548 0.628452 0.500000 Th\n0.107011 0.892989 0.000000 Nb\n0.894685 0.105315 0.500000 Nb\n0.788827 0.728324 0.441556 O\n0.719939 0.789915 0.949714 O\n0.210085 0.280061 0.050286 O\n0.271676 0.211173 0.558444 O\n0.058866 0.638178 0.906519 O\n0.633078 0.046693 0.416541 O\n0.953307 0.366922 0.583459 O\n0.361822 0.941134 0.093481 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ca",
"Th",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O-Th",
"density": 6.0194774850242325,
"density_atomic": 0.07424199621444569,
"volume": 161.6335849232606,
"volume_molar": 8.111501666260743,
"formula_full": "Ca1 Th1 Nb2 O8",
"formula_reduced": "CaThNb2O8",
"formula_anonymous": "ABC2D8",
"energy": -111.39823676,
"energy_per_atom": -9.283186396666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.90223676,
"band_gap": 3.5626,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.217000Z",
"spacegroup": 5
},
{
"id": "mp-776731",
"created_at": "2022-09-04T14:39:06.480521Z",
"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.712749 0.000000 0.000000\n-0.012708 8.722325 0.000000\n-0.103088 -0.425418 10.161391\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.257201 0.086403 0.121204 Na\n0.997613 0.259399 0.370991 Na\n0.000617 0.257323 0.876824 Na\n0.501295 0.255593 0.871842 Na\n0.499850 0.745731 0.123777 Na\n0.502128 0.739725 0.627646 Na\n0.240175 0.092848 0.618395 Li\n0.464095 0.289539 0.388522 Li\n0.972901 0.720147 0.117110 Li\n0.983201 0.723147 0.624827 Li\n0.760340 0.900456 0.378646 Li\n0.766898 0.897438 0.875605 Li\n0.744248 0.358312 0.117490 Fe\n0.749273 0.347543 0.608443 Fe\n0.242342 0.661156 0.391318 Fe\n0.242357 0.647172 0.888395 Fe\n0.246574 0.419635 0.148412 P\n0.243764 0.410059 0.642396 P\n0.746678 0.594872 0.358205 P\n0.753124 0.591381 0.857903 P\n0.760283 0.043576 0.134899 C\n0.762489 0.040844 0.636620 C\n0.262861 0.961546 0.369508 C\n0.245083 0.938245 0.848126 C\n0.283596 0.106098 0.348783 O\n0.249162 0.081674 0.820123 O\n0.753769 0.069200 0.010437 O\n0.761725 0.072981 0.513254 O\n0.744966 0.158642 0.221200 O\n0.746623 0.153308 0.725672 O\n0.062970 0.316117 0.113582 O\n0.430910 0.329710 0.096167 O\n0.063338 0.303695 0.604754 O\n0.430265 0.317693 0.593821 O\n0.266623 0.442445 0.301773 O\n0.728076 0.432298 0.414298 O\n0.253626 0.434047 0.795514 O\n0.749624 0.435047 0.924113 O\n0.227304 0.579756 0.088498 O\n0.771288 0.575618 0.205528 O\n0.229626 0.568834 0.581043 O\n0.779545 0.563246 0.705986 O\n0.561914 0.697006 0.389309 O\n0.926665 0.688981 0.417109 O\n0.562164 0.688068 0.883980 O\n0.926497 0.695063 0.914036 O\n0.244972 0.861741 0.270035 O\n0.225845 0.832693 0.754079 O\n0.256453 0.912221 0.488111 O\n0.259417 0.894378 0.968281 O\n0.780234 0.905810 0.178014 O\n0.777411 0.901538 0.675395 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.854896400460166,
"density_atomic": 0.08740122253640613,
"volume": 594.9573528944621,
"volume_molar": 6.890224856398932,
"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -363.7256172,
"energy_per_atom": -6.994723407692307,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -335.4656172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5099329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.354000Z",
"spacegroup": 1
},
{
"id": "mp-1209708",
"created_at": "2022-09-04T14:39:05.966989Z",
"structure_string": "Pr16 Mg4 Ni4\n1.0\n0.000000 7.098718 7.098718\n7.098718 0.000000 7.098718\n7.098718 7.098718 0.000000\nPr Mg Ni\n16 4 4\ndirect\n0.810567 0.189433 0.189433 Pr\n0.189433 0.810567 0.810567 Pr\n0.189433 0.810567 0.189433 Pr\n0.810567 0.189433 0.810567 Pr\n0.189433 0.189433 0.810567 Pr\n0.810567 0.810567 0.189433 Pr\n0.935574 0.564426 0.564426 Pr\n0.564426 0.935574 0.935574 Pr\n0.564426 0.935574 0.564426 Pr\n0.935574 0.564426 0.935574 Pr\n0.564426 0.564426 0.935574 Pr\n0.935574 0.935574 0.564426 Pr\n0.345520 0.345520 0.345520 Pr\n0.345520 0.345520 0.963439 Pr\n0.345520 0.963439 0.345520 Pr\n0.963439 0.345520 0.345520 Pr\n0.578934 0.578934 0.578934 Mg\n0.578934 0.578934 0.263198 Mg\n0.578934 0.263198 0.578934 Mg\n0.263198 0.578934 0.578934 Mg\n0.141764 0.141764 0.141764 Ni\n0.141764 0.141764 0.574708 Ni\n0.141764 0.574708 0.141764 Ni\n0.574708 0.141764 0.141764 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Pr",
"density": 6.003361547792376,
"density_atomic": 0.03354605650517149,
"volume": 715.4343162899083,
"volume_molar": 17.951858988467453,
"formula_full": "Pr16 Mg4 Ni4",
"formula_reduced": "Pr4MgNi",
"formula_anonymous": "ABC4",
"energy": -109.57258181999998,
"energy_per_atom": -4.5655242424999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.57258181999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003294,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.268000Z",
"spacegroup": 216
},
{
"id": "mp-28752",
"created_at": "2022-09-04T14:39:06.524676Z",
"structure_string": "Ta14 Cu6 O38\n1.0\n3.142858 -5.443590 0.000000\n3.142858 5.443590 0.000000\n0.000000 0.000000 20.439699\nTa Cu O\n14 6 38\ndirect\n0.693526 0.028658 0.343341 Ta\n0.664867 0.693526 0.843341 Ta\n0.028658 0.335133 0.843341 Ta\n0.971342 0.664867 0.343341 Ta\n0.335133 0.306474 0.343341 Ta\n0.306474 0.971342 0.843341 Ta\n0.306474 0.971342 0.656659 Ta\n0.335133 0.306474 0.156659 Ta\n0.971342 0.664867 0.156659 Ta\n0.028658 0.335133 0.656659 Ta\n0.664867 0.693526 0.656659 Ta\n0.693526 0.028658 0.156659 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.290785 0.930309 0.750000 O\n0.360476 0.290785 0.250000 O\n0.930309 0.639524 0.250000 O\n0.069691 0.360476 0.750000 O\n0.639524 0.709215 0.750000 O\n0.709215 0.069691 0.250000 O\n0.000000 0.000000 0.337429 O\n0.000000 0.000000 0.837429 O\n0.000000 0.000000 0.662571 O\n0.000000 0.000000 0.162571 O\n0.334133 0.914034 0.345784 O\n0.420100 0.334133 0.845784 O\n0.914034 0.579900 0.845784 O\n0.085966 0.420100 0.345784 O\n0.579900 0.665867 0.345784 O\n0.665867 0.085966 0.845784 O\n0.665867 0.085966 0.654216 O\n0.579900 0.665867 0.154216 O\n0.085966 0.420100 0.154216 O\n0.914034 0.579900 0.654216 O\n0.751224 0.028010 0.056493 O\n0.723214 0.751224 0.556493 O\n0.028010 0.276786 0.556493 O\n0.971990 0.723214 0.056493 O\n0.276786 0.248776 0.056493 O\n0.248776 0.971990 0.556493 O\n0.248776 0.971990 0.943507 O\n0.276786 0.248776 0.443507 O\n0.971990 0.723214 0.443507 O\n0.028010 0.276786 0.943507 O\n0.723214 0.751224 0.943507 O\n0.751224 0.028010 0.443507 O\n0.666667 0.333333 0.138640 O\n0.333333 0.666667 0.638640 O\n0.333333 0.666667 0.861360 O\n0.666667 0.333333 0.361360 O\n0.334133 0.914034 0.154216 O\n0.420100 0.334133 0.654216 O\n",
"nsites": 58,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ta",
"density": 8.363505379002003,
"density_atomic": 0.08293031883269913,
"volume": 699.3823346683047,
"volume_molar": 7.261687697293032,
"formula_full": "Ta14 Cu6 O38",
"formula_reduced": "Ta7Cu3O19",
"formula_anonymous": "A3B7C19",
"energy": -546.00606288,
"energy_per_atom": -9.413897635862067,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -519.90006288,
"band_gap": 1.1738999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.3e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.387000Z",
"spacegroup": 176
},
{
"id": "mp-1223490",
"created_at": "2022-09-04T14:39:06.547918Z",
"structure_string": "K4 C4 N4\n1.0\n4.601805 0.000000 0.000000\n0.536627 7.802785 0.000000\n0.337142 2.739131 7.972319\nK C N\n4 4 4\ndirect\n0.788667 0.522845 0.239148 K\n0.208476 0.477416 0.754720 K\n0.294430 0.018328 0.258074 K\n0.704028 0.983535 0.736739 K\n0.817843 0.798350 0.449207 C\n0.325591 0.298956 0.450398 C\n0.189832 0.737655 0.946444 C\n0.692853 0.232410 0.949765 C\n0.180863 0.198240 0.553362 N\n0.670617 0.699690 0.552189 N\n0.813653 0.265321 0.056209 N\n0.313147 0.767255 0.053744 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"C",
"N"
],
"chemical_system": "C-K-N",
"density": 1.5108880364547805,
"density_atomic": 0.041919754059044335,
"volume": 286.2612214541597,
"volume_molar": 14.365878081054014,
"formula_full": "K4 C4 N4",
"formula_reduced": "KCN",
"formula_anonymous": "ABC",
"energy": -79.35807792,
"energy_per_atom": -6.61317316,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.91407792,
"band_gap": 5.1351,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.622000Z",
"spacegroup": 1
},
{
"id": "mp-1246317",
"created_at": "2022-09-04T14:39:06.604367Z",
"structure_string": "Cr2 Ga4 N6\n1.0\n5.581352 -0.018158 0.000000\n-2.805184 4.860132 0.000000\n0.000000 0.000000 5.210481\nCr Ga N\n2 4 6\ndirect\n0.000000 0.652873 0.491702 Cr\n0.000000 0.347127 0.991702 Cr\n0.336336 0.330486 0.494906 Ga\n0.663664 0.994150 0.494906 Ga\n0.663664 0.669514 0.994906 Ga\n0.336336 0.005850 0.994906 Ga\n0.332997 0.333952 0.871515 N\n0.667003 0.000955 0.871515 N\n0.667003 0.666048 0.371515 N\n0.332997 0.999045 0.371515 N\n0.000000 0.673991 0.863456 N\n0.000000 0.326009 0.363456 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"N"
],
"chemical_system": "Cr-Ga-N",
"density": 5.495998977239558,
"density_atomic": 0.08506134047188069,
"volume": 141.07466368892838,
"volume_molar": 7.079762353369897,
"formula_full": "Cr2 Ga4 N6",
"formula_reduced": "CrGa2N3",
"formula_anonymous": "AB2C3",
"energy": -86.83047056,
"energy_per_atom": -7.235872546666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.66447056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.199000Z",
"spacegroup": 36
},
{
"id": "mp-1443713",
"created_at": "2022-09-04T14:39:06.407488Z",
"structure_string": "K4 Mo8 O26\n1.0\n8.248811 0.000000 0.000000\n-2.849143 8.044143 0.000000\n-2.342126 -4.101776 9.190008\nK Mo O\n4 8 26\ndirect\n0.310890 0.351393 0.430333 K\n0.689110 0.648607 0.569667 K\n0.375525 0.925897 0.309432 K\n0.624475 0.074103 0.690568 K\n0.765032 0.455908 0.050941 Mo\n0.234968 0.544092 0.949059 Mo\n0.769255 0.846074 0.062043 Mo\n0.230745 0.153926 0.937957 Mo\n0.047986 0.875165 0.731044 Mo\n0.952014 0.124835 0.268956 Mo\n0.065189 0.493531 0.709858 Mo\n0.934811 0.506469 0.290142 Mo\n0.694647 0.978121 0.962022 O\n0.305353 0.021879 0.037978 O\n0.068076 0.979854 0.882938 O\n0.931924 0.020146 0.117062 O\n0.286267 0.007062 0.611230 O\n0.713733 0.992938 0.388770 O\n0.768932 0.689954 0.945875 O\n0.231068 0.310046 0.054125 O\n0.534586 0.326821 0.183260 O\n0.465414 0.673179 0.816740 O\n0.295678 0.615172 0.570820 O\n0.704322 0.384828 0.429180 O\n0.978135 0.682431 0.664322 O\n0.021865 0.317569 0.335678 O\n0.877992 0.639414 0.145262 O\n0.122008 0.360586 0.854738 O\n0.775012 0.376150 0.909483 O\n0.224988 0.623850 0.090517 O\n0.952419 0.339050 0.647210 O\n0.047581 0.660950 0.352790 O\n0.932509 0.984995 0.658800 O\n0.067491 0.015005 0.341200 O\n0.098428 0.649851 0.864253 O\n0.901572 0.350149 0.135747 O\n0.570512 0.716270 0.227790 O\n0.429488 0.283730 0.772210 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"K",
"Mo",
"O"
],
"chemical_system": "K-Mo-O",
"density": 3.6486624051156467,
"density_atomic": 0.06231556998706137,
"volume": 609.7994451128341,
"volume_molar": 9.663942352208895,
"formula_full": "K4 Mo8 O26",
"formula_reduced": "K2Mo4O13",
"formula_anonymous": "A2B4C13",
"energy": -133.85391758,
"energy_per_atom": -3.522471515263158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.37591758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1394483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.977000Z",
"spacegroup": 2
},
{
"id": "mp-722397",
"created_at": "2022-09-04T14:39:06.639401Z",
"structure_string": "Mg2 P4 H24 O22\n1.0\n-7.793480 0.000000 0.000000\n2.316962 7.548548 0.000000\n-0.827701 -3.469686 -8.586214\nMg P H O\n2 4 24 22\ndirect\n0.357925 0.231944 0.711122 Mg\n0.642075 0.768056 0.288878 Mg\n0.415714 0.097737 0.319998 P\n0.584286 0.902263 0.680002 P\n0.269843 0.435326 0.085995 P\n0.730157 0.564674 0.914005 P\n0.186237 0.013471 0.168039 H\n0.813763 0.986529 0.831961 H\n0.490650 0.320982 0.214632 H\n0.509350 0.679018 0.785368 H\n0.322686 0.736759 0.138452 H\n0.677314 0.263241 0.861548 H\n0.000042 0.267391 0.127636 H\n0.999958 0.732609 0.872364 H\n0.184885 0.440025 0.616608 H\n0.815115 0.559975 0.383392 H\n0.095884 0.414096 0.767957 H\n0.904116 0.585904 0.232043 H\n0.031204 0.961479 0.627614 H\n0.968796 0.038521 0.372386 H\n0.164376 0.833832 0.581355 H\n0.835624 0.166168 0.418645 H\n0.140952 0.500051 0.407639 H\n0.859048 0.499949 0.592361 H\n0.324545 0.631637 0.493940 H\n0.675455 0.368363 0.506060 H\n0.242537 0.895723 0.926566 H\n0.757463 0.104277 0.073434 H\n0.204621 0.977658 0.936620 H\n0.795379 0.022342 0.063380 H\n0.449743 0.222224 0.490396 O\n0.550257 0.777776 0.509604 O\n0.458034 0.906802 0.266646 O\n0.541966 0.093198 0.733354 O\n0.205515 0.057395 0.280610 O\n0.794485 0.942605 0.719390 O\n0.521458 0.203911 0.211501 O\n0.478542 0.796089 0.788499 O\n0.254981 0.271694 0.931796 O\n0.745019 0.728306 0.068204 O\n0.434261 0.499427 0.191744 O\n0.565739 0.500573 0.808256 O\n0.240603 0.613777 0.063183 O\n0.759397 0.386223 0.936817 O\n0.099993 0.372253 0.188714 O\n0.900007 0.627747 0.811286 O\n0.170071 0.361828 0.681990 O\n0.829929 0.638172 0.318010 O\n0.158728 0.966875 0.615760 O\n0.841272 0.033125 0.384240 O\n0.194978 0.582055 0.511866 O\n0.805022 0.417945 0.488134 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 1.803738514483157,
"density_atomic": 0.10294536289828395,
"volume": 505.12231475038897,
"volume_molar": 5.849841693161282,
"formula_full": "Mg2 P4 H24 O22",
"formula_reduced": "MgP2H12O11",
"formula_anonymous": "AB2C11D12",
"energy": -303.80980968,
"energy_per_atom": -5.84249634,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -288.69580968,
"band_gap": 5.4433,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00193,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.131000Z",
"spacegroup": 2
},
{
"id": "mp-1224311",
"created_at": "2022-09-04T14:39:16.693495Z",
"structure_string": "Ge1 Sb1\n1.0\n2.944683 0.000000 0.000000\n0.000000 2.944683 0.000000\n0.000000 0.000000 5.856071\nGe Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"Sb"
],
"chemical_system": "Ge-Sb",
"density": 6.357142202934344,
"density_atomic": 0.039386425093248044,
"volume": 50.77891672739949,
"volume_molar": 15.289889208635913,
"formula_full": "Ge1 Sb1",
"formula_reduced": "GeSb",
"formula_anonymous": "AB",
"energy": -8.45704394,
"energy_per_atom": -4.22852197,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.26504394,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.665000Z",
"spacegroup": 123
},
{
"id": "mp-1105964",
"created_at": "2022-09-04T14:39:07.084221Z",
"structure_string": "Y2 Co8 B8\n1.0\n4.998950 0.000000 0.000000\n0.000000 4.998950 0.000000\n0.000000 0.000000 6.979675\nY Co B\n2 8 8\ndirect\n0.750000 0.250000 0.250000 Y\n0.250000 0.750000 0.750000 Y\n0.004118 0.750000 0.112320 Co\n0.495882 0.750000 0.112320 Co\n0.750000 0.004118 0.612320 Co\n0.750000 0.495882 0.612320 Co\n0.995882 0.250000 0.887680 Co\n0.504118 0.250000 0.887680 Co\n0.250000 0.995882 0.387680 Co\n0.250000 0.504118 0.387680 Co\n0.575183 0.750000 0.407687 B\n0.924817 0.750000 0.407687 B\n0.750000 0.575183 0.907687 B\n0.750000 0.924817 0.907687 B\n0.424817 0.250000 0.592313 B\n0.075183 0.250000 0.592313 B\n0.250000 0.424817 0.092313 B\n0.250000 0.075183 0.092313 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Co",
"B"
],
"chemical_system": "B-Co-Y",
"density": 7.00479756942573,
"density_atomic": 0.10320000505506041,
"volume": 174.41859610759167,
"volume_molar": 5.835407427341695,
"formula_full": "Y2 Co8 B8",
"formula_reduced": "Y(CoB)4",
"formula_anonymous": "AB4C4",
"energy": -132.19306893,
"energy_per_atom": -7.344059385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.19306893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.034187,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.680000Z",
"spacegroup": 137
},
{
"id": "mp-1518556",
"created_at": "2022-09-04T14:39:07.113552Z",
"structure_string": "Ba2 Eu1 Bi1 O6\n1.0\n0.000000 -4.399851 -4.399851\n4.399851 -0.000000 -4.399851\n4.399851 -4.399851 0.000000\nBa Eu Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Eu\n-0.000000 -0.000000 0.000000 Bi\n0.757712 0.242288 0.242288 O\n0.242288 0.757712 0.757712 O\n0.757712 0.242288 0.757712 O\n0.242288 0.757712 0.242288 O\n0.757712 0.757712 0.242288 O\n0.242288 0.242288 0.757712 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Eu-O",
"density": 7.1314165310268605,
"density_atomic": 0.05870243225194605,
"volume": 170.35069274609978,
"volume_molar": 10.258758502805238,
"formula_full": "Ba2 Eu1 Bi1 O6",
"formula_reduced": "Ba2EuBiO6",
"formula_anonymous": "ABC2D6",
"energy": -73.59637736,
"energy_per_atom": -7.359637736000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.47437736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.733000Z",
"spacegroup": 225
},
{
"id": "mp-1208897",
"created_at": "2022-09-04T14:39:06.575966Z",
"structure_string": "Sr1 Mg2 In2\n1.0\n-2.347276 2.347276 6.508558\n2.347276 -2.347276 6.508558\n2.347276 2.347276 -6.508558\nSr Mg In\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.389708 0.389708 0.000000 In\n0.610292 0.610292 0.000000 In\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"In"
],
"chemical_system": "In-Mg-Sr",
"density": 4.235435403274222,
"density_atomic": 0.03485755466102233,
"volume": 143.44092833313385,
"volume_molar": 17.276429223344085,
"formula_full": "Sr1 Mg2 In2",
"formula_reduced": "Sr(MgIn)2",
"formula_anonymous": "AB2C2",
"energy": -11.75615554,
"energy_per_atom": -2.351231108,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.75615554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.224000Z",
"spacegroup": 139
}
]
}