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=-density&page=10184",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10182",
"results": [
{
"id": "mp-759155",
"created_at": "2022-09-04T14:41:02.649752Z",
"structure_string": "Li8 Fe8 C8 O28\n1.0\n6.608757 0.000000 0.000000\n0.000000 9.110946 0.000000\n0.000000 2.170029 10.482037\nLi Fe C O\n8 8 8 28\ndirect\n0.206113 0.951719 0.515449 Li\n0.293887 0.951719 0.015449 Li\n0.187603 0.375113 0.578580 Li\n0.687603 0.624887 0.921420 Li\n0.312397 0.375113 0.078580 Li\n0.812397 0.624887 0.421420 Li\n0.706113 0.048281 0.984551 Li\n0.793887 0.048281 0.484551 Li\n0.102845 0.978665 0.759749 Fe\n0.420553 0.716336 0.675021 Fe\n0.397155 0.978665 0.259749 Fe\n0.079447 0.716336 0.175021 Fe\n0.920553 0.283664 0.824979 Fe\n0.602845 0.021335 0.740251 Fe\n0.579447 0.283664 0.324979 Fe\n0.897155 0.021335 0.240251 Fe\n0.804949 0.781876 0.643386 C\n0.754309 0.327429 0.551640 C\n0.254309 0.672571 0.948360 C\n0.695051 0.781876 0.143386 C\n0.304949 0.218124 0.856614 C\n0.745691 0.327429 0.051640 C\n0.245691 0.672571 0.448360 C\n0.195051 0.218124 0.356614 C\n0.358702 0.937432 0.671313 O\n0.957169 0.869988 0.604066 O\n0.714848 0.706392 0.570731 O\n0.275103 0.588728 0.561960 O\n0.729704 0.779696 0.757167 O\n0.174381 0.805401 0.924893 O\n0.365646 0.621349 0.867401 O\n0.865646 0.378651 0.632599 O\n0.141298 0.937432 0.171313 O\n0.542831 0.869988 0.104066 O\n0.674381 0.194599 0.575107 O\n0.785152 0.706392 0.070731 O\n0.224897 0.588728 0.061960 O\n0.770296 0.779696 0.257167 O\n0.229704 0.220304 0.742833 O\n0.775103 0.411272 0.938040 O\n0.214848 0.293608 0.929269 O\n0.325619 0.805401 0.424893 O\n0.457169 0.130012 0.895934 O\n0.858702 0.062568 0.828687 O\n0.134354 0.621349 0.367401 O\n0.634354 0.378651 0.132599 O\n0.825619 0.194599 0.075107 O\n0.270296 0.220304 0.242833 O\n0.724897 0.411272 0.438040 O\n0.285152 0.293608 0.429269 O\n0.042831 0.130012 0.395934 O\n0.641298 0.062568 0.328687 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O",
"density": 2.752960335167926,
"density_atomic": 0.08238998034341427,
"volume": 631.1447069565486,
"volume_molar": 7.309312048502474,
"formula_full": "Li8 Fe8 C8 O28",
"formula_reduced": "Li2Fe2C2O7",
"formula_anonymous": "A2B2C2D7",
"energy": -392.43182865,
"energy_per_atom": -7.546765935576923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.14782865,
"band_gap": 3.1587,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.245000Z",
"spacegroup": 14
},
{
"id": "mp-774816",
"created_at": "2022-09-04T14:48:12.322975Z",
"structure_string": "Na12 Fe6 P6 C6 O42\n1.0\n8.986103 0.003813 -0.000216\n0.026455 5.257829 0.000116\n-0.000491 0.000457 19.671029\nNa Fe P C O\n12 6 6 6 42\ndirect\n0.079120 0.762316 0.079770 Na\n0.082460 0.763085 0.421356 Na\n0.084977 0.764106 0.746081 Na\n0.266812 0.250218 0.341213 Na\n0.265021 0.251533 0.828476 Na\n0.265666 0.249665 0.159472 Na\n0.738397 0.745652 0.499788 Na\n0.738541 0.745742 0.667297 Na\n0.735946 0.749161 0.995290 Na\n0.933035 0.247706 0.583813 Na\n0.905187 0.219796 0.250444 Na\n0.918712 0.236765 0.912960 Na\n0.353692 0.782185 0.250806 Fe\n0.340860 0.791139 0.584077 Fe\n0.347334 0.784138 0.920188 Fe\n0.652640 0.215648 0.086991 Fe\n0.651805 0.216469 0.414328 Fe\n0.651954 0.216567 0.753787 Fe\n0.423941 0.711412 0.749953 P\n0.423146 0.711760 0.417965 P\n0.423517 0.711886 0.083288 P\n0.577843 0.292009 0.250333 P\n0.575745 0.288676 0.917396 P\n0.574136 0.288729 0.583520 P\n0.059041 0.729781 0.583389 C\n0.069922 0.727959 0.249933 C\n0.065422 0.729446 0.915373 C\n0.934948 0.269505 0.417616 C\n0.934527 0.270861 0.081905 C\n0.935418 0.268983 0.749186 C\n0.074041 0.299742 0.087729 O\n0.074408 0.298422 0.411704 O\n0.074925 0.297438 0.755176 O\n0.121436 0.953223 0.583483 O\n0.132151 0.955847 0.250051 O\n0.126822 0.955226 0.912753 O\n0.146359 0.534382 0.583471 O\n0.167394 0.536377 0.250096 O\n0.157737 0.536222 0.912477 O\n0.323135 0.781706 0.355574 O\n0.321841 0.760434 0.020946 O\n0.324373 0.782354 0.145556 O\n0.325001 0.776371 0.812445 O\n0.324339 0.756032 0.480766 O\n0.325180 0.756212 0.686832 O\n0.430402 0.136627 0.250200 O\n0.433277 0.124618 0.583321 O\n0.432158 0.128539 0.913753 O\n0.469950 0.425961 0.411908 O\n0.468932 0.425595 0.088041 O\n0.471773 0.425391 0.754805 O\n0.526144 0.574507 0.250031 O\n0.535441 0.579651 0.583336 O\n0.529298 0.575033 0.921404 O\n0.567239 0.870960 0.079987 O\n0.567350 0.873142 0.747778 O\n0.566696 0.872483 0.419584 O\n0.674455 0.232086 0.187381 O\n0.674823 0.232384 0.312912 O\n0.673232 0.223025 0.980225 O\n0.675439 0.231051 0.520562 O\n0.676033 0.230583 0.646001 O\n0.677736 0.239638 0.855120 O\n0.841801 0.463675 0.079183 O\n0.842670 0.462870 0.420098 O\n0.843331 0.462739 0.746758 O\n0.873099 0.044994 0.079342 O\n0.873423 0.043904 0.420650 O\n0.873621 0.043484 0.746304 O\n0.915322 0.708008 0.583220 O\n0.931675 0.695309 0.249635 O\n0.925774 0.700857 0.921766 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 2.752957362399912,
"density_atomic": 0.07746909736372964,
"volume": 929.4028515905978,
"volume_molar": 7.773603881977736,
"formula_full": "Na12 Fe6 P6 C6 O42",
"formula_reduced": "Na2FePCO7",
"formula_anonymous": "ABCD2E7",
"energy": -523.27058915,
"energy_per_atom": -7.267647071527778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -480.88058915,
"band_gap": 2.2836,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.9985677,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.240000Z",
"spacegroup": 1
},
{
"id": "mp-1198649",
"created_at": "2022-09-04T14:41:13.207028Z",
"structure_string": "K9 Y3 Si12 O32 F2\n1.0\n-6.935455 0.000000 0.000000\n1.912065 11.361516 0.000000\n-0.051644 -0.427343 -11.525504\nK Y Si O F\n9 3 12 32 2\ndirect\n0.266227 0.386343 0.016588 K\n0.733773 0.613657 0.983412 K\n0.171240 0.194063 0.776172 K\n0.828760 0.805937 0.223828 K\n0.162871 0.154894 0.214082 K\n0.837129 0.845106 0.785918 K\n0.500000 0.000000 0.000000 K\n0.021974 0.669318 0.510673 K\n0.978026 0.330682 0.489327 K\n0.000000 0.000000 0.500000 Y\n0.488344 0.510775 0.337029 Y\n0.511656 0.489225 0.662971 Y\n0.557862 0.767451 0.510446 Si\n0.442138 0.232549 0.489554 Si\n0.337386 0.864859 0.310835 Si\n0.662614 0.135141 0.689165 Si\n0.656057 0.091209 0.303475 Si\n0.343943 0.908791 0.696525 Si\n0.689643 0.305385 0.159372 Si\n0.310357 0.694615 0.840628 Si\n0.985845 0.512656 0.258201 Si\n0.014155 0.487344 0.741799 Si\n0.287033 0.666886 0.120986 Si\n0.712967 0.333114 0.879014 Si\n0.529643 0.624300 0.514639 O\n0.470357 0.375700 0.485361 O\n0.490904 0.792429 0.374882 O\n0.509096 0.207571 0.625118 O\n0.390216 0.814404 0.594827 O\n0.609784 0.185596 0.405173 O\n0.773845 0.837189 0.538992 O\n0.226155 0.162811 0.461008 O\n0.145103 0.876827 0.383556 O\n0.854897 0.123173 0.616444 O\n0.280148 0.797652 0.183185 O\n0.719852 0.202348 0.816815 O\n0.457979 0.994222 0.273169 O\n0.542021 0.005778 0.726831 O\n0.691790 0.164240 0.181631 O\n0.308210 0.835760 0.818369 O\n0.843401 0.034040 0.334139 O\n0.156599 0.965960 0.665861 O\n0.903949 0.374257 0.209709 O\n0.096051 0.625743 0.790291 O\n0.698446 0.315212 0.018479 O\n0.301554 0.684788 0.981521 O\n0.503641 0.353217 0.214608 O\n0.496359 0.646783 0.785392 O\n0.164167 0.507676 0.346248 O\n0.835833 0.492324 0.653752 O\n0.810855 0.571818 0.314446 O\n0.189145 0.428182 0.685554 O\n0.067646 0.585137 0.138956 O\n0.932354 0.414863 0.861044 O\n0.461292 0.604500 0.165549 O\n0.538708 0.395500 0.834451 O\n0.246752 0.158944 0.995297 F\n0.753248 0.841056 0.004703 F\n",
"nsites": 58,
"nelements": 5,
"elements": [
"K",
"Y",
"Si",
"O",
"F"
],
"chemical_system": "F-K-O-Si-Y",
"density": 2.75289232152041,
"density_atomic": 0.06386410424544331,
"volume": 908.1783998268212,
"volume_molar": 9.429617515428752,
"formula_full": "K9 Y3 Si12 O32 F2",
"formula_reduced": "K9Y3Si12(O16F)2",
"formula_anonymous": "A2B3C9D12E32",
"energy": -442.33691418,
"energy_per_atom": -7.6264985203448274,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -419.42891418,
"band_gap": 4.995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001223,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.261000Z",
"spacegroup": 2
},
{
"id": "mp-1205247",
"created_at": "2022-09-04T14:39:58.842436Z",
"structure_string": "Mo24 S24 F96\n1.0\n0.000000 -8.745967 0.000000\n-11.593790 0.000000 0.000000\n0.000000 0.000000 -29.125810\nMo S F\n24 24 96\ndirect\n0.459281 0.100154 0.910594 Mo\n0.540719 0.899846 0.410594 Mo\n0.459281 0.399846 0.410594 Mo\n0.540719 0.600154 0.910594 Mo\n0.379687 0.239133 0.045201 Mo\n0.620313 0.760867 0.545201 Mo\n0.379687 0.260867 0.545201 Mo\n0.620313 0.739133 0.045201 Mo\n0.123367 0.509697 0.979001 Mo\n0.876633 0.490303 0.479001 Mo\n0.123367 0.990303 0.479001 Mo\n0.876633 0.009697 0.979001 Mo\n0.051847 0.920593 0.794605 Mo\n0.948153 0.079407 0.294605 Mo\n0.051847 0.579407 0.294605 Mo\n0.948153 0.420593 0.794605 Mo\n0.914001 0.052959 0.660597 Mo\n0.085999 0.947041 0.160597 Mo\n0.914001 0.447041 0.160597 Mo\n0.085999 0.552959 0.660597 Mo\n0.562988 0.267220 0.726241 Mo\n0.437012 0.732780 0.226241 Mo\n0.562988 0.232780 0.226241 Mo\n0.437012 0.767220 0.726241 Mo\n0.543881 0.005491 0.855303 S\n0.456119 0.994509 0.355303 S\n0.543881 0.494509 0.355303 S\n0.456119 0.505491 0.855303 S\n0.467928 0.084917 0.071164 S\n0.532072 0.915083 0.571164 S\n0.467928 0.415083 0.571164 S\n0.532072 0.584917 0.071164 S\n0.921965 0.431499 0.002314 S\n0.078035 0.568501 0.502314 S\n0.921965 0.068501 0.502314 S\n0.078035 0.931499 0.002314 S\n0.117386 0.824095 0.851947 S\n0.882614 0.175905 0.351947 S\n0.117386 0.675905 0.351947 S\n0.882614 0.324095 0.851947 S\n0.087981 0.962574 0.626937 S\n0.912019 0.037426 0.126937 S\n0.087981 0.537426 0.126937 S\n0.912019 0.462574 0.626937 S\n0.357421 0.184999 0.710567 S\n0.642579 0.815001 0.210567 S\n0.357421 0.315001 0.210567 S\n0.642579 0.684999 0.710567 S\n0.634183 0.092538 0.952619 F\n0.365817 0.907462 0.452619 F\n0.634183 0.407462 0.452619 F\n0.365817 0.592538 0.952619 F\n0.371379 0.983240 0.947351 F\n0.628621 0.016760 0.447351 F\n0.371379 0.516760 0.447351 F\n0.628621 0.483241 0.947351 F\n0.263438 0.141562 0.889941 F\n0.736562 0.858438 0.389941 F\n0.263438 0.358438 0.389941 F\n0.736562 0.641562 0.889941 F\n0.528475 0.251262 0.897911 F\n0.471525 0.748738 0.397911 F\n0.528475 0.248738 0.397911 F\n0.471525 0.751262 0.897911 F\n0.363262 0.203077 0.980130 F\n0.636738 0.796923 0.480130 F\n0.363262 0.296923 0.480130 F\n0.636738 0.703077 0.980130 F\n0.558122 0.321644 0.029928 F\n0.441878 0.678356 0.529928 F\n0.558122 0.178356 0.529928 F\n0.441878 0.821644 0.029928 F\n0.362955 0.329501 0.099077 F\n0.637045 0.670499 0.599077 F\n0.362955 0.170499 0.599077 F\n0.637045 0.829501 0.099077 F\n0.166280 0.212280 0.048042 F\n0.833720 0.787720 0.548042 F\n0.166280 0.287720 0.548042 F\n0.833720 0.712280 0.048042 F\n0.273897 0.418809 0.013187 F\n0.726103 0.581191 0.513187 F\n0.273897 0.081191 0.513187 F\n0.726103 0.918809 0.013187 F\n0.161241 0.624439 0.023681 F\n0.838759 0.375561 0.523681 F\n0.161241 0.875561 0.523681 F\n0.838759 0.124439 0.023681 F\n0.047252 0.624669 0.939582 F\n0.952748 0.375331 0.439582 F\n0.047252 0.875331 0.439582 F\n0.952748 0.124669 0.939582 F\n0.173032 0.417527 0.927690 F\n0.826968 0.582473 0.427690 F\n0.173032 0.082473 0.427690 F\n0.826968 0.917527 0.927690 F\n0.896616 0.828000 0.769034 F\n0.103384 0.172000 0.269034 F\n0.896616 0.672000 0.269034 F\n0.103384 0.328000 0.769034 F\n0.186253 0.856597 0.747384 F\n0.813747 0.143403 0.247384 F\n0.186253 0.643403 0.247384 F\n0.813747 0.356597 0.747384 F\n0.191793 0.044775 0.795083 F\n0.808207 0.955225 0.295083 F\n0.191793 0.455225 0.295083 F\n0.808207 0.544775 0.795083 F\n0.902814 0.019548 0.819610 F\n0.097186 0.980452 0.319610 F\n0.902814 0.480452 0.319610 F\n0.097186 0.519548 0.819610 F\n0.972746 0.029239 0.724369 F\n0.027254 0.970761 0.224369 F\n0.972746 0.470761 0.224369 F\n0.027254 0.529239 0.724369 F\n0.765511 0.936721 0.669206 F\n0.234489 0.063279 0.169206 F\n0.765511 0.563279 0.169206 F\n0.234489 0.436721 0.669206 F\n0.798384 0.109134 0.610664 F\n0.201616 0.890866 0.110664 F\n0.798384 0.390866 0.110664 F\n0.201616 0.609134 0.610664 F\n0.999687 0.201624 0.667135 F\n0.000313 0.798376 0.167135 F\n0.999687 0.298376 0.167135 F\n0.000313 0.701624 0.667135 F\n0.709171 0.155064 0.702833 F\n0.290829 0.844936 0.202833 F\n0.709171 0.344936 0.202833 F\n0.290829 0.655064 0.702833 F\n0.606171 0.208879 0.785467 F\n0.393829 0.791121 0.285467 F\n0.606171 0.291121 0.285467 F\n0.393829 0.708879 0.785467 F\n0.493117 0.405271 0.753202 F\n0.506883 0.594729 0.253202 F\n0.493117 0.094729 0.253202 F\n0.506883 0.905271 0.753202 F\n0.607355 0.352301 0.672244 F\n0.392645 0.647699 0.172244 F\n0.607355 0.147699 0.172244 F\n0.392645 0.852301 0.672244 F\n",
"nsites": 144,
"nelements": 3,
"elements": [
"Mo",
"S",
"F"
],
"chemical_system": "F-Mo-S",
"density": 2.752810253679139,
"density_atomic": 0.04875859873187143,
"volume": 2953.32523380893,
"volume_molar": 12.35093074170645,
"formula_full": "Mo24 S24 F96",
"formula_reduced": "MoSF4",
"formula_anonymous": "ABC4",
"energy": -848.04517581,
"energy_per_atom": -5.889202609791667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -714.77317581,
"band_gap": 2.8508,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.56e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.846000Z",
"spacegroup": 29
},
{
"id": "mp-1192931",
"created_at": "2022-09-04T14:46:27.326251Z",
"structure_string": "Ba2 Cl4 O22\n1.0\n3.417583 -5.919428 0.000000\n3.417583 5.919428 0.000000\n0.000000 0.000000 11.456846\nBa Cl O\n2 4 22\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.538590 Cl\n0.333333 0.666667 0.038590 Cl\n0.333333 0.666667 0.461410 Cl\n0.666667 0.333333 0.961410 Cl\n0.666667 0.333333 0.412503 O\n0.333333 0.666667 0.912503 O\n0.333333 0.666667 0.587497 O\n0.666667 0.333333 0.087497 O\n0.737641 0.560543 0.583414 O\n0.439457 0.177097 0.583414 O\n0.822903 0.262359 0.583414 O\n0.262359 0.439457 0.083414 O\n0.560543 0.822903 0.083414 O\n0.177097 0.737641 0.083414 O\n0.262359 0.439457 0.416586 O\n0.560543 0.822903 0.416586 O\n0.177097 0.737641 0.416586 O\n0.737641 0.560543 0.916586 O\n0.439457 0.177097 0.916586 O\n0.822903 0.262359 0.916586 O\n0.049243 0.908311 0.750000 O\n0.091689 0.140933 0.750000 O\n0.859067 0.950757 0.750000 O\n0.950757 0.091689 0.250000 O\n0.908311 0.859067 0.250000 O\n0.140933 0.049243 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-O",
"density": 2.752785744134299,
"density_atomic": 0.06040378416120748,
"volume": 463.5471169367922,
"volume_molar": 9.96980709673408,
"formula_full": "Ba2 Cl4 O22",
"formula_reduced": "BaCl2O11",
"formula_anonymous": "AB2C11",
"energy": -127.05288018,
"energy_per_atom": -4.537602863571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.05288018,
"band_gap": 1.4012,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071497,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.498000Z",
"spacegroup": 176
},
{
"id": "mp-707536",
"created_at": "2022-09-04T14:42:41.012623Z",
"structure_string": "K16 H16 Se16 O64\n1.0\n8.799331 0.000000 0.000000\n0.000000 10.181298 0.000000\n0.000000 0.000000 19.721917\nK H Se O\n16 16 16 64\ndirect\n0.884572 0.176069 0.374740 K\n0.384572 0.323931 0.625260 K\n0.115428 0.676069 0.125260 K\n0.615428 0.823931 0.874740 K\n0.115428 0.823931 0.625260 K\n0.615428 0.676069 0.374740 K\n0.884572 0.323931 0.874740 K\n0.384572 0.176069 0.125260 K\n0.375027 0.319411 0.380940 K\n0.875027 0.180589 0.619060 K\n0.624973 0.819411 0.119060 K\n0.124973 0.680589 0.880940 K\n0.624973 0.680589 0.619060 K\n0.124973 0.819411 0.380940 K\n0.375027 0.180589 0.880940 K\n0.875027 0.319411 0.119060 K\n0.911261 0.608046 0.499862 H\n0.411261 0.891954 0.500138 H\n0.088739 0.108046 0.000138 H\n0.588739 0.391954 0.999862 H\n0.088739 0.391954 0.500138 H\n0.588739 0.108046 0.499862 H\n0.911261 0.891954 0.999862 H\n0.411261 0.608046 0.000138 H\n0.226204 0.069478 0.278537 H\n0.726204 0.430522 0.721463 H\n0.773796 0.569478 0.221463 H\n0.273796 0.930522 0.778537 H\n0.773796 0.930522 0.721463 H\n0.273796 0.569478 0.278537 H\n0.226204 0.430522 0.778537 H\n0.726204 0.069478 0.221463 H\n0.755007 0.423005 0.497328 Se\n0.255007 0.076995 0.502672 Se\n0.244993 0.923005 0.002672 Se\n0.744993 0.576995 0.997328 Se\n0.244993 0.576995 0.502672 Se\n0.744993 0.923005 0.497328 Se\n0.755007 0.076995 0.997328 Se\n0.255007 0.423005 0.002672 Se\n0.482565 0.015684 0.295151 Se\n0.982565 0.484316 0.704849 Se\n0.517435 0.515684 0.204849 Se\n0.017435 0.984316 0.795151 Se\n0.517435 0.984316 0.704849 Se\n0.017435 0.515684 0.295151 Se\n0.482565 0.484316 0.795151 Se\n0.982565 0.015684 0.204849 Se\n0.795707 0.594028 0.499366 O\n0.295707 0.905972 0.500634 O\n0.204293 0.094028 0.000634 O\n0.704293 0.405972 0.999366 O\n0.204293 0.405972 0.500634 O\n0.704293 0.094028 0.499366 O\n0.795707 0.905972 0.999366 O\n0.295707 0.594028 0.000634 O\n0.919131 0.342460 0.493419 O\n0.419131 0.157540 0.506581 O\n0.080869 0.842460 0.006581 O\n0.580869 0.657540 0.993419 O\n0.080869 0.657540 0.506581 O\n0.580869 0.842460 0.493419 O\n0.919131 0.157540 0.993419 O\n0.419131 0.342460 0.006581 O\n0.665086 0.395324 0.569426 O\n0.165086 0.104676 0.430574 O\n0.334914 0.895324 0.930574 O\n0.834914 0.604676 0.069426 O\n0.334914 0.604676 0.430574 O\n0.834914 0.895324 0.569426 O\n0.665086 0.104676 0.069426 O\n0.165086 0.395324 0.930574 O\n0.652624 0.402298 0.428045 O\n0.152624 0.097702 0.571955 O\n0.347376 0.902298 0.071955 O\n0.847376 0.597702 0.928045 O\n0.347376 0.597702 0.571955 O\n0.847376 0.902298 0.428045 O\n0.652624 0.097702 0.928045 O\n0.152624 0.402298 0.071955 O\n0.569607 0.002372 0.219749 O\n0.069607 0.497628 0.780251 O\n0.430393 0.502372 0.280251 O\n0.930393 0.997628 0.719749 O\n0.430393 0.997628 0.780251 O\n0.930393 0.502372 0.219749 O\n0.569607 0.497628 0.719749 O\n0.069607 0.002372 0.280251 O\n0.327839 0.120985 0.276443 O\n0.827839 0.379015 0.723557 O\n0.672161 0.620985 0.223557 O\n0.172161 0.879015 0.776443 O\n0.672161 0.879015 0.723557 O\n0.172161 0.620985 0.276443 O\n0.327839 0.379015 0.776443 O\n0.827839 0.120985 0.223557 O\n0.415352 0.874306 0.322661 O\n0.915352 0.625694 0.677339 O\n0.584648 0.374306 0.177339 O\n0.084648 0.125694 0.822661 O\n0.584648 0.125694 0.677339 O\n0.084648 0.374306 0.322661 O\n0.415352 0.625694 0.822661 O\n0.915352 0.874306 0.177339 O\n0.583422 0.101665 0.349560 O\n0.083422 0.398335 0.650440 O\n0.416578 0.601665 0.150440 O\n0.916578 0.898335 0.849560 O\n0.416578 0.898335 0.650440 O\n0.916578 0.601665 0.349560 O\n0.583422 0.398335 0.849560 O\n0.083422 0.101665 0.150440 O\n",
"nsites": 112,
"nelements": 4,
"elements": [
"K",
"H",
"Se",
"O"
],
"chemical_system": "H-K-O-Se",
"density": 2.752768674954843,
"density_atomic": 0.0633893198799824,
"volume": 1766.8591524890026,
"volume_molar": 9.500245106592034,
"formula_full": "K16 H16 Se16 O64",
"formula_reduced": "KHSeO4",
"formula_anonymous": "ABCD4",
"energy": -613.4460924499999,
"energy_per_atom": -5.477197254017857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -569.47809245,
"band_gap": 3.5239,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.001294,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.255000Z",
"spacegroup": 61
},
{
"id": "mp-1190714",
"created_at": "2022-09-04T14:41:21.693497Z",
"structure_string": "Fe3 As2 O16\n1.0\n-4.925246 0.000000 0.000000\n1.384075 7.922968 0.000000\n-0.411013 -2.500755 -8.863594\nFe As O\n3 2 16\ndirect\n0.500000 0.500000 0.500000 Fe\n0.040717 0.124183 0.902249 Fe\n0.959283 0.875817 0.097751 Fe\n0.492491 0.184586 0.163894 As\n0.507509 0.815414 0.836106 As\n0.093499 0.364646 0.450437 O\n0.906501 0.635354 0.549563 O\n0.829118 0.754351 0.266489 O\n0.170882 0.245649 0.733511 O\n0.862194 0.508542 0.613666 O\n0.137806 0.491458 0.386334 O\n0.993237 0.333427 0.820243 O\n0.006763 0.666573 0.179757 O\n0.610047 0.353624 0.317117 O\n0.389953 0.646376 0.682883 O\n0.353700 0.263165 0.033926 O\n0.646300 0.736835 0.966074 O\n0.271577 0.027212 0.223936 O\n0.728423 0.972788 0.776064 O\n0.794292 0.101751 0.090479 O\n0.205708 0.898249 0.909521 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-O",
"density": 2.752690089825696,
"density_atomic": 0.06071466611559082,
"volume": 345.88018585195584,
"volume_molar": 9.918757929978279,
"formula_full": "Fe3 As2 O16",
"formula_reduced": "Fe3(AsO8)2",
"formula_anonymous": "A2B3C16",
"energy": -129.80863507,
"energy_per_atom": -6.181363574761905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.46463507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0005369,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.646000Z",
"spacegroup": 2
},
{
"id": "mp-562669",
"created_at": "2022-09-04T14:43:55.231210Z",
"structure_string": "Co4 P16 O44\n1.0\n22.562332 0.000000 0.000000\n0.000000 5.430921 0.000000\n0.000000 2.580318 7.066281\nCo P O\n4 16 44\ndirect\n0.385894 0.996096 0.370270 Co\n0.885894 0.003904 0.129730 Co\n0.614106 0.003904 0.629730 Co\n0.114106 0.996096 0.870270 Co\n0.464565 0.594233 0.208249 P\n0.964565 0.405767 0.291751 P\n0.535435 0.405767 0.791751 P\n0.035435 0.594233 0.708249 P\n0.572069 0.308591 0.186415 P\n0.072069 0.691409 0.313585 P\n0.427931 0.691409 0.813585 P\n0.927931 0.308591 0.686415 P\n0.678211 0.676763 0.054597 P\n0.178211 0.323237 0.445403 P\n0.321789 0.323237 0.945403 P\n0.821789 0.676763 0.554597 P\n0.804443 0.601331 0.969332 P\n0.304443 0.398669 0.530668 P\n0.195557 0.398669 0.030668 P\n0.695557 0.601331 0.469332 P\n0.454820 0.778173 0.311946 O\n0.954820 0.221827 0.188054 O\n0.545180 0.221827 0.688054 O\n0.045180 0.778173 0.811946 O\n0.435012 0.335768 0.251163 O\n0.935012 0.664232 0.248837 O\n0.564988 0.664232 0.748837 O\n0.064988 0.335768 0.751163 O\n0.545544 0.234958 0.017923 O\n0.045544 0.765042 0.482077 O\n0.454456 0.765042 0.982077 O\n0.954456 0.234958 0.517923 O\n0.536875 0.553308 0.201344 O\n0.036875 0.446692 0.298656 O\n0.463125 0.446692 0.798656 O\n0.963125 0.553308 0.701344 O\n0.576242 0.075322 0.358140 O\n0.076242 0.924678 0.141860 O\n0.423758 0.924678 0.641860 O\n0.923758 0.075322 0.858140 O\n0.635611 0.428790 0.115671 O\n0.135611 0.571210 0.384329 O\n0.364389 0.571210 0.884329 O\n0.864389 0.428790 0.615671 O\n0.655185 0.911639 0.905656 O\n0.155185 0.088361 0.594344 O\n0.344815 0.088361 0.094344 O\n0.844815 0.911639 0.405656 O\n0.733383 0.538314 0.999903 O\n0.233383 0.461686 0.500097 O\n0.266617 0.461686 0.000097 O\n0.766617 0.538314 0.499903 O\n0.693445 0.741077 0.237859 O\n0.193445 0.258923 0.262141 O\n0.306555 0.258923 0.762141 O\n0.806555 0.741077 0.737859 O\n0.817765 0.807590 0.051508 O\n0.317765 0.192410 0.448492 O\n0.182235 0.192410 0.948492 O\n0.682235 0.807590 0.551508 O\n0.835522 0.346209 0.020394 O\n0.335522 0.653791 0.479606 O\n0.164478 0.653791 0.979606 O\n0.664478 0.346209 0.520394 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.75257616272215,
"density_atomic": 0.0739148328809671,
"volume": 865.8613908126666,
"volume_molar": 8.147404959567577,
"formula_full": "Co4 P16 O44",
"formula_reduced": "CoP4O11",
"formula_anonymous": "AB4C11",
"energy": -488.35365245,
"energy_per_atom": -7.63052581953125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -451.57365245,
"band_gap": 3.365,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000054,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.090000Z",
"spacegroup": 14
},
{
"id": "mp-1020162",
"created_at": "2022-09-04T14:39:10.309041Z",
"structure_string": "Na16 Mg12 P16 O60\n1.0\n6.592989 0.000000 0.000000\n0.000000 10.633098 0.000000\n0.000000 0.000000 18.200900\nNa Mg P O\n16 12 16 60\ndirect\n0.570050 0.764421 0.893184 Na\n0.070050 0.235579 0.106816 Na\n0.070050 0.264421 0.606816 Na\n0.570050 0.735579 0.393184 Na\n0.990434 0.248308 0.793778 Na\n0.490434 0.751692 0.206222 Na\n0.490434 0.748308 0.706222 Na\n0.990434 0.251692 0.293778 Na\n0.957921 0.475149 0.992260 Na\n0.457921 0.524851 0.007740 Na\n0.457921 0.975149 0.507740 Na\n0.957921 0.024851 0.492260 Na\n0.813888 0.041156 0.961301 Na\n0.313888 0.958844 0.038699 Na\n0.313888 0.541156 0.538699 Na\n0.813888 0.458844 0.461301 Na\n0.739057 0.994154 0.639727 Mg\n0.239057 0.005846 0.360273 Mg\n0.239057 0.494154 0.860273 Mg\n0.739057 0.505846 0.139727 Mg\n0.471253 0.244447 0.739328 Mg\n0.971253 0.755553 0.260672 Mg\n0.971253 0.744447 0.760672 Mg\n0.471253 0.255553 0.239328 Mg\n0.749846 0.505205 0.666665 Mg\n0.249846 0.494795 0.333335 Mg\n0.249846 0.005205 0.833335 Mg\n0.749846 0.994795 0.166665 Mg\n0.731949 0.487744 0.819910 P\n0.231949 0.512256 0.180090 P\n0.231949 0.987744 0.680090 P\n0.731949 0.012256 0.319910 P\n0.742110 0.003082 0.791940 P\n0.242110 0.996918 0.208060 P\n0.242110 0.503082 0.708060 P\n0.742110 0.496918 0.291940 P\n0.599686 0.263893 0.569199 P\n0.099686 0.736107 0.430801 P\n0.099686 0.763893 0.930801 P\n0.599686 0.236107 0.069199 P\n0.288974 0.270859 0.448536 P\n0.788974 0.729141 0.551464 P\n0.788974 0.770859 0.051464 P\n0.288974 0.229141 0.948536 P\n0.712067 0.137698 0.561314 O\n0.212067 0.862302 0.438686 O\n0.212067 0.637698 0.938686 O\n0.712067 0.362302 0.061314 O\n0.702515 0.114162 0.736596 O\n0.202515 0.885838 0.263404 O\n0.202515 0.614162 0.763404 O\n0.702515 0.385838 0.236596 O\n0.561311 0.976184 0.842489 O\n0.061311 0.023816 0.157511 O\n0.061311 0.476184 0.657511 O\n0.561311 0.523816 0.342489 O\n0.932057 0.035947 0.838110 O\n0.432057 0.964053 0.161890 O\n0.432057 0.535947 0.661890 O\n0.932057 0.464053 0.338110 O\n0.746791 0.372593 0.584070 O\n0.246791 0.627407 0.415930 O\n0.246791 0.872593 0.915930 O\n0.746791 0.127407 0.084070 O\n0.757448 0.604799 0.768078 O\n0.257448 0.395201 0.231922 O\n0.257448 0.104799 0.731922 O\n0.757448 0.895201 0.268078 O\n0.926842 0.456444 0.863496 O\n0.426842 0.543556 0.136504 O\n0.426842 0.956444 0.636504 O\n0.926842 0.043556 0.363496 O\n0.551634 0.512387 0.872093 O\n0.051634 0.487613 0.127907 O\n0.051634 0.012387 0.627907 O\n0.551634 0.987613 0.372093 O\n0.272196 0.387205 0.760827 O\n0.772196 0.612795 0.239173 O\n0.772196 0.887205 0.739173 O\n0.272196 0.112795 0.260827 O\n0.696596 0.377060 0.763572 O\n0.196596 0.622940 0.236428 O\n0.196596 0.877060 0.736428 O\n0.696596 0.122940 0.263572 O\n0.926539 0.758564 0.875728 O\n0.426539 0.241436 0.124272 O\n0.426539 0.258564 0.624272 O\n0.926539 0.741436 0.375728 O\n0.513564 0.298606 0.486935 O\n0.013564 0.701394 0.513065 O\n0.013564 0.798606 0.013065 O\n0.513564 0.201394 0.986935 O\n0.312948 0.312513 0.368645 O\n0.812948 0.687487 0.631355 O\n0.812948 0.812513 0.131355 O\n0.312948 0.187487 0.868645 O\n0.138974 0.351126 0.491503 O\n0.638974 0.648874 0.508497 O\n0.638974 0.851126 0.008497 O\n0.138974 0.148874 0.991503 O\n0.251649 0.128559 0.454303 O\n0.751649 0.871441 0.545697 O\n0.751649 0.628559 0.045697 O\n0.251649 0.371441 0.954303 O\n",
"nsites": 104,
"nelements": 4,
"elements": [
"Na",
"Mg",
"P",
"O"
],
"chemical_system": "Mg-Na-O-P",
"density": 2.7525343929606993,
"density_atomic": 0.08150763801280228,
"volume": 1275.9540398369154,
"volume_molar": 7.3884373376813,
"formula_full": "Na16 Mg12 P16 O60",
"formula_reduced": "Na4Mg3P4O15",
"formula_anonymous": "A3B4C4D15",
"energy": -719.85370298,
"energy_per_atom": -6.921670220961539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -678.63370298,
"band_gap": 4.7301,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003277,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.145000Z",
"spacegroup": 33
},
{
"id": "mp-584727",
"created_at": "2022-09-04T14:43:00.674395Z",
"structure_string": "Co2 P8 O24\n1.0\n4.217515 6.118913 0.000000\n-4.217515 6.118913 0.000000\n0.000000 4.166052 8.762135\nCo P O\n2 8 24\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.273324 0.731418 0.464143 P\n0.664485 0.699077 0.814331 P\n0.731418 0.273324 0.964143 P\n0.699077 0.664485 0.314331 P\n0.726676 0.268582 0.535857 P\n0.335515 0.300923 0.185669 P\n0.268582 0.726676 0.035857 P\n0.300923 0.335515 0.685669 P\n0.528809 0.207225 0.063696 O\n0.354135 0.522219 0.154701 O\n0.316622 0.150301 0.645627 O\n0.477781 0.645865 0.345299 O\n0.150301 0.316622 0.145627 O\n0.522219 0.354135 0.654701 O\n0.849699 0.683378 0.854373 O\n0.121551 0.868324 0.377334 O\n0.471191 0.792775 0.936304 O\n0.645865 0.477781 0.845299 O\n0.651546 0.812074 0.656036 O\n0.207225 0.528809 0.563696 O\n0.187926 0.348454 0.843964 O\n0.792775 0.471191 0.436304 O\n0.868324 0.121551 0.877334 O\n0.813751 0.322701 0.064707 O\n0.131676 0.878449 0.122666 O\n0.878449 0.131676 0.622666 O\n0.812074 0.651546 0.156036 O\n0.186249 0.677299 0.935293 O\n0.683378 0.849699 0.354373 O\n0.677299 0.186249 0.435293 O\n0.322701 0.813751 0.564707 O\n0.348454 0.187926 0.343964 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.75253093064031,
"density_atomic": 0.07518099462122987,
"volume": 452.2419551815687,
"volume_molar": 8.010190328473584,
"formula_full": "Co2 P8 O24",
"formula_reduced": "Co(PO3)4",
"formula_anonymous": "AB4C12",
"energy": -251.20913799,
"energy_per_atom": -7.388504058529412,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -231.44513799,
"band_gap": 0.4719,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.123000Z",
"spacegroup": 15
},
{
"id": "mp-704577",
"created_at": "2022-09-04T14:46:53.955653Z",
"structure_string": "Na4 Co4 B24 O42\n1.0\n2.300248 11.512922 0.000000\n-2.300248 11.512922 0.000000\n0.000000 9.631926 14.341938\nNa Co B O\n4 4 24 42\ndirect\n0.695350 0.591114 0.509241 Na\n0.408886 0.304650 0.990759 Na\n0.304650 0.408886 0.490759 Na\n0.591114 0.695350 0.009241 Na\n0.542742 0.552841 0.395058 Co\n0.552841 0.542742 0.895058 Co\n0.447159 0.457258 0.104942 Co\n0.457258 0.447159 0.604942 Co\n0.129743 0.192743 0.844504 B\n0.192743 0.129743 0.344504 B\n0.116600 0.373908 0.182446 B\n0.914405 0.415467 0.706361 B\n0.731438 0.444418 0.202810 B\n0.883400 0.626092 0.817554 B\n0.268562 0.555582 0.797190 B\n0.037493 0.932970 0.827269 B\n0.444418 0.731438 0.702810 B\n0.927156 0.959279 0.492442 B\n0.085595 0.584533 0.293639 B\n0.962507 0.067030 0.172731 B\n0.870257 0.807257 0.155496 B\n0.067030 0.962507 0.672731 B\n0.932970 0.037493 0.327269 B\n0.807257 0.870257 0.655496 B\n0.040721 0.072844 0.007558 B\n0.555582 0.268562 0.297190 B\n0.072844 0.040721 0.507558 B\n0.373908 0.116600 0.682446 B\n0.959279 0.927156 0.992442 B\n0.626092 0.883400 0.317554 B\n0.584533 0.085595 0.793639 B\n0.415467 0.914405 0.206361 B\n0.969624 0.239833 0.425615 O\n0.586456 0.023097 0.621163 O\n0.680264 0.165652 0.361091 O\n0.098811 0.844712 0.406847 O\n0.745134 0.335491 0.003929 O\n0.969526 0.613999 0.723957 O\n0.030376 0.760167 0.574385 O\n0.291271 0.149963 0.145154 O\n0.844712 0.098811 0.906847 O\n0.302168 0.411460 0.332875 O\n0.413544 0.976903 0.378837 O\n0.588540 0.697832 0.167125 O\n0.780509 0.316323 0.295009 O\n0.319736 0.834348 0.638909 O\n0.121015 0.878985 0.250000 O\n0.165652 0.680264 0.861091 O\n0.335491 0.745134 0.503929 O\n0.155288 0.901189 0.093153 O\n0.023097 0.586456 0.121163 O\n0.386001 0.030474 0.776043 O\n0.219491 0.683677 0.704991 O\n0.239833 0.969624 0.925615 O\n0.636169 0.098182 0.698262 O\n0.363831 0.901818 0.301738 O\n0.149963 0.291271 0.645154 O\n0.760167 0.030376 0.074385 O\n0.901818 0.363831 0.801738 O\n0.411460 0.302168 0.832875 O\n0.613999 0.969526 0.223957 O\n0.901189 0.155288 0.593153 O\n0.976903 0.413544 0.878837 O\n0.664509 0.254866 0.496071 O\n0.697832 0.588540 0.667125 O\n0.030474 0.386001 0.276043 O\n0.316323 0.780509 0.795009 O\n0.683677 0.219491 0.204991 O\n0.708729 0.850037 0.854846 O\n0.850037 0.708729 0.354846 O\n0.834348 0.319736 0.138909 O\n0.878985 0.121015 0.750000 O\n0.098182 0.636169 0.198262 O\n0.254866 0.664509 0.996071 O\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Na",
"Co",
"B",
"O"
],
"chemical_system": "B-Co-Na-O",
"density": 2.752465189717333,
"density_atomic": 0.09741675507535127,
"volume": 759.6229205413529,
"volume_molar": 6.181832637868002,
"formula_full": "Na4 Co4 B24 O42",
"formula_reduced": "Na2Co2(B4O7)3",
"formula_anonymous": "A2B2C12D21",
"energy": -595.6869275900001,
"energy_per_atom": -8.049823345810813,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -560.28092759,
"band_gap": 3.3019,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0012364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.655000Z",
"spacegroup": 15
},
{
"id": "mp-1025314",
"created_at": "2022-09-04T14:42:49.849840Z",
"structure_string": "Mn1 Al2 S4\n1.0\n12.335119 -1.833247 0.000000\n12.335119 1.833247 0.000000\n12.062662 0.000000 3.163565\nMn Al S\n1 2 4\ndirect\n0.937550 0.937550 0.937550 Mn\n0.703567 0.703567 0.703567 Al\n0.468490 0.468490 0.468490 Al\n0.004954 0.004954 0.004954 S\n0.826517 0.826517 0.826517 S\n0.578530 0.578530 0.578530 S\n0.407593 0.407593 0.407593 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"Al",
"S"
],
"chemical_system": "Al-Mn-S",
"density": 2.7524631276448557,
"density_atomic": 0.048924563058003474,
"volume": 143.07741474770071,
"volume_molar": 12.309033302679337,
"formula_full": "Mn1 Al2 S4",
"formula_reduced": "Mn(AlS2)2",
"formula_anonymous": "AB2C4",
"energy": -41.02801501,
"energy_per_atom": -5.861145001428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.01601501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.5972668,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.475000Z",
"spacegroup": 160
}
]
}