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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12170",
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"results": [
{
"id": "mp-1214802",
"created_at": "2022-09-04T14:40:54.272294Z",
"structure_string": "Ba4 Sm6 Si6 Se2 O24\n1.0\n5.050183 -8.747174 0.000000\n5.050183 8.747174 0.000000\n0.000000 0.000000 7.205267\nBa Sm Si Se O\n4 6 6 2 24\ndirect\n0.666667 0.333333 0.998193 Ba\n0.333333 0.666667 0.001807 Ba\n0.333333 0.666667 0.498193 Ba\n0.666667 0.333333 0.501807 Ba\n0.733497 0.995573 0.750000 Sm\n0.266503 0.004427 0.250000 Sm\n0.262076 0.266503 0.750000 Sm\n0.737924 0.733497 0.250000 Sm\n0.004427 0.737924 0.750000 Sm\n0.995573 0.262076 0.250000 Sm\n0.979315 0.360941 0.750000 Si\n0.020685 0.639059 0.250000 Si\n0.381626 0.020685 0.750000 Si\n0.618374 0.979315 0.250000 Si\n0.639059 0.618374 0.750000 Si\n0.360941 0.381626 0.250000 Si\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n0.901162 0.246785 0.930828 O\n0.098838 0.753215 0.069172 O\n0.345622 0.098838 0.930828 O\n0.098838 0.753215 0.430828 O\n0.654378 0.901162 0.069172 O\n0.901162 0.246785 0.569172 O\n0.753215 0.654378 0.930828 O\n0.654378 0.901162 0.430828 O\n0.246785 0.345622 0.069172 O\n0.345622 0.098838 0.569172 O\n0.246785 0.345622 0.430828 O\n0.753215 0.654378 0.569172 O\n0.919080 0.486272 0.750000 O\n0.080920 0.513728 0.250000 O\n0.567193 0.080920 0.750000 O\n0.432807 0.919080 0.250000 O\n0.513728 0.432807 0.750000 O\n0.486272 0.567193 0.250000 O\n0.554753 0.720440 0.750000 O\n0.445247 0.279560 0.250000 O\n0.165687 0.445247 0.750000 O\n0.834313 0.554753 0.250000 O\n0.279560 0.834313 0.750000 O\n0.720440 0.165687 0.250000 O\n",
"nsites": 42,
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"elements": [
"Ba",
"Sm",
"Si",
"Se",
"O"
],
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"density": 5.63932405546007,
"density_atomic": 0.06597726898019397,
"volume": 636.5828814861703,
"volume_molar": 9.127599327895515,
"formula_full": "Ba4 Sm6 Si6 Se2 O24",
"formula_reduced": "Ba2Sm3Si3SeO12",
"formula_anonymous": "AB2C3D3E12",
"energy": -336.47983978,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:00.010000Z",
"spacegroup": 176
},
{
"id": "mp-1210688",
"created_at": "2022-09-04T14:40:54.272850Z",
"structure_string": "Na11 Ti1 Nb2 Si4 P2 O24 F2\n1.0\n5.617235 0.000000 0.000000\n-0.082796 7.285563 0.000000\n-1.439393 -0.736597 14.617508\nNa Ti Nb Si P O F\n11 1 2 4 2 24 2\ndirect\n0.246167 0.735468 0.078534 Na\n0.753833 0.264532 0.921466 Na\n0.289693 0.010850 0.264172 Na\n0.710307 0.989150 0.735828 Na\n0.816032 0.019097 0.100585 Na\n0.183968 0.980903 0.899415 Na\n0.000000 0.500000 0.500000 Na\n0.802164 0.493571 0.133291 Na\n0.197836 0.506429 0.866709 Na\n0.497065 0.243841 0.501509 Na\n0.502935 0.756159 0.498491 Na\n0.000000 0.000000 0.500000 Ti\n0.297660 0.491664 0.283176 Nb\n0.702340 0.508336 0.716824 Nb\n0.186155 0.219689 0.696913 Si\n0.813845 0.780311 0.303087 Si\n0.799230 0.204973 0.315209 Si\n0.200770 0.795027 0.684791 Si\n0.311312 0.255761 0.066371 P\n0.688688 0.744239 0.933629 P\n0.012763 0.312867 0.272293 O\n0.987237 0.687133 0.727707 O\n0.841753 0.195709 0.426211 O\n0.158247 0.804291 0.573789 O\n0.255656 0.430065 0.129791 O\n0.744344 0.569935 0.870209 O\n0.203814 0.006459 0.734508 O\n0.796186 0.993541 0.265492 O\n0.317877 0.515500 0.406573 O\n0.682123 0.484500 0.593427 O\n0.538391 0.286644 0.282667 O\n0.461609 0.713356 0.717333 O\n0.564459 0.676290 0.258481 O\n0.435541 0.323710 0.741519 O\n0.583990 0.256967 0.056436 O\n0.416010 0.743033 0.943564 O\n0.234336 0.074626 0.108431 O\n0.765664 0.925374 0.891569 O\n0.167787 0.273232 0.971189 O\n0.832213 0.726768 0.028811 O\n0.046220 0.696163 0.255311 O\n0.953780 0.303837 0.744689 O\n0.160307 0.206893 0.585600 O\n0.839693 0.793107 0.414400 O\n0.276329 0.002432 0.424373 F\n0.723671 0.997568 0.575627 F\n",
"nsites": 46,
"nelements": 7,
"elements": [
"Na",
"Ti",
"Nb",
"Si",
"P",
"O",
"F"
],
"chemical_system": "F-Na-Nb-O-P-Si-Ti",
"density": 3.0057578939340193,
"density_atomic": 0.07689512022698207,
"volume": 598.2174143718792,
"volume_molar": 7.831629292240659,
"formula_full": "Na11 Ti1 Nb2 Si4 P2 O24 F2",
"formula_reduced": "Na11TiNb2Si4P2(O12F)2",
"formula_anonymous": "AB2C2D2E4F11G24",
"energy": -329.44493425,
"energy_per_atom": -7.161846396739131,
"energy_above_hull": null,
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"energy_uncorrected": -312.03293425,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:59.623000Z",
"spacegroup": 2
},
{
"id": "mp-1245217",
"created_at": "2022-09-04T14:40:54.288646Z",
"structure_string": "Ga50 Sb50\n1.0\n13.509532 0.389921 0.301630\n0.420613 15.049947 -0.186555\n0.305454 -0.152022 13.462306\nGa Sb\n50 50\ndirect\n0.767602 0.061214 0.470531 Ga\n0.622737 0.327541 0.098552 Ga\n0.248300 0.021820 0.874657 Ga\n0.421286 0.785117 0.026590 Ga\n0.573981 0.832161 0.404117 Ga\n0.189064 0.849672 0.660456 Ga\n0.785661 0.624608 0.390436 Ga\n0.049189 0.834752 0.810184 Ga\n0.718904 0.488951 0.002832 Ga\n0.147969 0.168391 0.931987 Ga\n0.411431 0.373755 0.887886 Ga\n0.964063 0.118234 0.956906 Ga\n0.677204 0.584566 0.754684 Ga\n0.954093 0.708645 0.706943 Ga\n0.637971 0.680637 0.543182 Ga\n0.287302 0.536860 0.515724 Ga\n0.744463 0.360521 0.665673 Ga\n0.396475 0.083500 0.658586 Ga\n0.418893 0.836209 0.232084 Ga\n0.048159 0.348984 0.780581 Ga\n0.321934 0.672536 0.629739 Ga\n0.747905 0.826089 0.499225 Ga\n0.173392 0.229924 0.672705 Ga\n0.342340 0.007289 0.062090 Ga\n0.562852 0.457737 0.818560 Ga\n0.893198 0.270259 0.858573 Ga\n0.527380 0.926056 0.073583 Ga\n0.393566 0.489012 0.184872 Ga\n0.756810 0.203063 0.999369 Ga\n0.868339 0.671023 0.889920 Ga\n0.970983 0.456315 0.070193 Ga\n0.298289 0.427772 0.037308 Ga\n0.200079 0.405456 0.415779 Ga\n0.544352 0.224657 0.893819 Ga\n0.824902 0.471072 0.815292 Ga\n0.879172 0.098412 0.785813 Ga\n0.067413 0.701226 0.199256 Ga\n0.683300 0.040392 0.099108 Ga\n0.130648 0.506495 0.633523 Ga\n0.626677 0.445561 0.349337 Ga\n0.694052 0.832823 0.056971 Ga\n0.516861 0.237802 0.502276 Ga\n0.131913 0.251461 0.340136 Ga\n0.470413 0.558762 0.401478 Ga\n0.171098 0.341274 0.931538 Ga\n0.409763 0.727334 0.394687 Ga\n0.701676 0.338276 0.878420 Ga\n0.929424 0.325451 0.635353 Ga\n0.857139 0.104621 0.125372 Ga\n0.735560 0.083132 0.665134 Ga\n0.113217 0.125480 0.140605 Sb\n0.659736 0.062581 0.900720 Sb\n0.547089 0.041968 0.516324 Sb\n0.644426 0.734196 0.220959 Sb\n0.605768 0.261531 0.315414 Sb\n0.980436 0.283201 0.193885 Sb\n0.297076 0.583930 0.922367 Sb\n0.454162 0.957863 0.845428 Sb\n0.017466 0.194800 0.515563 Sb\n0.953634 0.050209 0.285369 Sb\n0.853591 0.210539 0.381606 Sb\n0.846568 0.921641 0.842676 Sb\n0.948393 0.869699 0.461162 Sb\n0.281116 0.389815 0.726150 Sb\n0.212095 0.776651 0.467661 Sb\n0.995773 0.451454 0.503960 Sb\n0.975483 0.559615 0.278215 Sb\n0.261687 0.682599 0.112668 Sb\n0.515991 0.628559 0.937262 Sb\n0.780302 0.435231 0.202009 Sb\n0.840989 0.584403 0.606706 Sb\n0.639736 0.485736 0.553950 Sb\n0.014055 0.516305 0.876770 Sb\n0.501503 0.698735 0.708302 Sb\n0.384049 0.941139 0.426096 Sb\n0.009432 0.757639 0.008482 Sb\n0.107835 0.858682 0.296470 Sb\n0.311002 0.238221 0.158107 Sb\n0.157704 0.650750 0.766047 Sb\n0.312606 0.217782 0.491045 Sb\n0.985185 0.026303 0.610509 Sb\n0.195949 0.034382 0.673632 Sb\n0.437506 0.415002 0.561362 Sb\n0.644130 0.921455 0.657203 Sb\n0.406473 0.345277 0.311299 Sb\n0.566269 0.569661 0.138984 Sb\n0.343393 0.205151 0.812596 Sb\n0.551012 0.022483 0.259954 Sb\n0.287840 0.829681 0.870131 Sb\n0.406673 0.865899 0.643136 Sb\n0.145911 0.414934 0.186997 Sb\n0.608735 0.232422 0.683214 Sb\n0.276927 0.103303 0.310869 Sb\n0.745363 0.935993 0.317667 Sb\n0.019893 0.687607 0.505159 Sb\n0.193236 0.871758 0.073779 Sb\n0.873493 0.914236 0.055068 Sb\n0.830611 0.612264 0.120709 Sb\n0.264667 0.584026 0.317248 Sb\n0.685356 0.762162 0.869292 Sb\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"Sb"
],
"chemical_system": "Ga-Sb",
"density": 5.8169157272404375,
"density_atomic": 0.03658840242800186,
"volume": 2733.106486318406,
"volume_molar": 16.459151972678452,
"formula_full": "Ga50 Sb50",
"formula_reduced": "GaSb",
"formula_anonymous": "AB",
"energy": -351.80472447,
"energy_per_atom": -3.5180472447,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -342.20472447,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:24.863000Z",
"spacegroup": 1
},
{
"id": "mp-1233313",
"created_at": "2022-09-04T14:40:54.288386Z",
"structure_string": "K2 Nd2 Mg1 S4 O16\n1.0\n5.500458 0.178789 -0.397388\n0.127452 7.083707 -1.126750\n-0.355148 -0.300336 9.792952\nK Nd Mg S O\n2 2 1 4 16\ndirect\n0.776000 0.156605 0.116086 K\n0.264994 0.819470 0.838478 K\n0.258704 0.680086 0.285086 Nd\n0.764044 0.308986 0.732217 Nd\n0.715426 0.429997 0.400889 Mg\n0.260954 0.319024 0.920932 S\n0.770343 0.789112 0.570851 S\n0.771667 0.680376 0.064387 S\n0.195095 0.224128 0.448086 S\n0.698175 0.577141 0.919542 O\n0.111859 0.388976 0.376251 O\n0.763426 0.598190 0.618288 O\n0.973570 0.773422 0.482186 O\n0.217326 0.051356 0.342220 O\n0.476940 0.195155 0.872557 O\n0.974091 0.808186 0.061911 O\n0.183339 0.445650 0.817393 O\n0.990986 0.209438 0.535595 O\n0.554005 0.793045 0.118732 O\n0.865760 0.545071 0.157773 O\n0.321760 0.419233 0.063398 O\n0.050244 0.191623 0.912361 O\n0.808795 0.940265 0.696508 O\n0.425455 0.265718 0.540963 O\n0.532042 0.824934 0.493024 O\n",
"nsites": 25,
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"elements": [
"K",
"Nd",
"Mg",
"S",
"O"
],
"chemical_system": "K-Mg-Nd-O-S",
"density": 3.4004401522211456,
"density_atomic": 0.06603772673646574,
"volume": 378.5714808107577,
"volume_molar": 9.119242980656088,
"formula_full": "K2 Nd2 Mg1 S4 O16",
"formula_reduced": "K2Nd2Mg(SO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -167.32035177,
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"updated_at": "2021-11-28T01:34:58.962000Z",
"spacegroup": 1
},
{
"id": "mp-6386",
"created_at": "2022-09-04T14:40:54.290383Z",
"structure_string": "K16 Zn8 Ge8 O32\n1.0\n5.629397 0.000000 0.000000\n0.000000 11.292724 0.000000\n0.000000 0.000000 16.050426\nK Zn Ge O\n16 8 8 32\ndirect\n0.955253 0.734773 0.995015 K\n0.044747 0.265227 0.495015 K\n0.044747 0.234773 0.995015 K\n0.955253 0.765227 0.495015 K\n0.453710 0.732083 0.127672 K\n0.546290 0.267917 0.627672 K\n0.546290 0.232083 0.127672 K\n0.453710 0.767917 0.627672 K\n0.994002 0.515067 0.373563 K\n0.005998 0.484933 0.873563 K\n0.005998 0.015067 0.373563 K\n0.491549 0.986448 0.252895 K\n0.491549 0.513552 0.752895 K\n0.508451 0.486448 0.252895 K\n0.508451 0.013552 0.752895 K\n0.994002 0.984933 0.873563 K\n0.486305 0.510125 0.501674 Zn\n0.030170 0.239102 0.248008 Zn\n0.030170 0.260898 0.748008 Zn\n0.969830 0.739102 0.248008 Zn\n0.486305 0.989875 0.001674 Zn\n0.513695 0.010125 0.501674 Zn\n0.513695 0.489875 0.001674 Zn\n0.969830 0.760898 0.748008 Zn\n0.983453 0.990180 0.123551 Ge\n0.016547 0.009820 0.623551 Ge\n0.016547 0.490180 0.123551 Ge\n0.983453 0.509820 0.623551 Ge\n0.473056 0.764507 0.377818 Ge\n0.526944 0.235493 0.877818 Ge\n0.526944 0.264507 0.377818 Ge\n0.473056 0.735493 0.877818 Ge\n0.707820 0.513145 0.104424 O\n0.292180 0.486855 0.604424 O\n0.292180 0.013145 0.104424 O\n0.707820 0.986855 0.604424 O\n0.177215 0.525251 0.030584 O\n0.822785 0.474749 0.530584 O\n0.822785 0.025251 0.030584 O\n0.177215 0.974749 0.530584 O\n0.611003 0.601002 0.911297 O\n0.388997 0.398998 0.411297 O\n0.388997 0.101002 0.911297 O\n0.611003 0.898998 0.411297 O\n0.102684 0.584422 0.207753 O\n0.897316 0.415578 0.707753 O\n0.897316 0.084422 0.207753 O\n0.910327 0.840290 0.149630 O\n0.203156 0.693601 0.827446 O\n0.796844 0.306399 0.327446 O\n0.796844 0.193601 0.827446 O\n0.203156 0.806399 0.327446 O\n0.672089 0.692467 0.307771 O\n0.327911 0.307533 0.807771 O\n0.327911 0.192467 0.307771 O\n0.672089 0.807533 0.807771 O\n0.409814 0.674893 0.466399 O\n0.590186 0.325107 0.966399 O\n0.590186 0.174893 0.466399 O\n0.409814 0.825107 0.966399 O\n0.910327 0.659710 0.649630 O\n0.089673 0.340290 0.149630 O\n0.089673 0.159710 0.649630 O\n0.102684 0.915578 0.707753 O\n",
"nsites": 64,
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"elements": [
"K",
"Zn",
"Ge",
"O"
],
"chemical_system": "Ge-K-O-Zn",
"density": 3.6486063779761846,
"density_atomic": 0.06272386610943509,
"volume": 1020.3452683917542,
"volume_molar": 9.601035671961128,
"formula_full": "K16 Zn8 Ge8 O32",
"formula_reduced": "K2ZnGeO4",
"formula_anonymous": "ABC2D4",
"energy": -354.35766361,
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"energy_uncorrected": -332.37366361,
"band_gap": 2.7469,
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"updated_at": "2021-11-28T01:34:57.942000Z",
"spacegroup": 29
},
{
"id": "mp-1209681",
"created_at": "2022-09-04T14:40:54.275482Z",
"structure_string": "Rb6 Tb6 F30\n1.0\n7.739199 0.000000 0.000000\n3.111575 8.293824 0.000000\n3.077474 1.585734 10.934255\nRb Tb F\n6 6 30\ndirect\n0.740483 0.664012 0.079035 Rb\n0.259517 0.335988 0.920965 Rb\n0.223983 0.999280 0.266197 Rb\n0.776017 0.000720 0.733803 Rb\n0.230988 0.664116 0.570049 Rb\n0.769012 0.335884 0.429951 Rb\n0.238862 0.180389 0.594349 Tb\n0.761138 0.819611 0.405651 Tb\n0.771761 0.161271 0.053308 Tb\n0.228239 0.838729 0.946692 Tb\n0.216396 0.533968 0.242422 Tb\n0.783604 0.466032 0.757578 Tb\n0.107285 0.394901 0.703945 F\n0.892715 0.605099 0.296055 F\n0.197707 0.369030 0.427618 F\n0.802293 0.630970 0.572382 F\n0.487592 0.242623 0.621252 F\n0.512408 0.757377 0.378748 F\n0.088906 0.064081 0.042547 F\n0.911094 0.935919 0.957453 F\n0.338501 0.734018 0.123681 F\n0.661499 0.265982 0.876319 F\n0.080061 0.740224 0.358656 F\n0.919939 0.259776 0.641344 F\n0.153978 0.011184 0.522169 F\n0.846022 0.988816 0.477831 F\n0.149873 0.326450 0.195365 F\n0.850127 0.673550 0.804635 F\n0.491523 0.339058 0.153030 F\n0.508477 0.660942 0.846970 F\n0.455162 0.536318 0.334747 F\n0.544838 0.463682 0.665253 F\n0.515180 0.052069 0.066213 F\n0.484820 0.947931 0.933787 F\n0.494760 0.075320 0.421991 F\n0.505240 0.924680 0.578009 F\n0.221530 0.031259 0.778555 F\n0.778470 0.968741 0.221445 F\n0.810472 0.296957 0.189466 F\n0.189528 0.703043 0.810534 F\n0.133437 0.622454 0.056768 F\n0.866563 0.377546 0.943232 F\n",
"nsites": 42,
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"elements": [
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"Tb",
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