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{
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"results": [
{
"id": "mp-746679",
"created_at": "2022-09-04T14:46:00.508995Z",
"structure_string": "Co2 P4 H48 C16 S8 N2 Cl2 O8\n1.0\n-7.330071 0.000000 0.000000\n-0.014855 -8.780676 0.000000\n1.607710 1.513787 16.686488\nCo P H C S N Cl O\n2 4 48 16 8 2 2 8\ndirect\n0.249519 0.822480 0.755476 Co\n0.750481 0.177520 0.244524 Co\n0.181474 0.672072 0.903121 P\n0.818526 0.327928 0.096879 P\n0.269202 0.770159 0.574247 P\n0.730798 0.229841 0.425753 P\n0.330731 0.949282 0.956431 H\n0.669269 0.050718 0.043569 H\n0.381438 0.918514 0.060331 H\n0.618562 0.081486 0.939669 H\n0.154532 0.972679 0.024097 H\n0.845468 0.027321 0.975903 H\n0.371577 0.390042 0.933362 H\n0.628423 0.609958 0.066638 H\n0.277029 0.451355 0.026043 H\n0.722971 0.548645 0.973957 H\n0.175059 0.294223 0.961799 H\n0.824941 0.705777 0.038201 H\n0.135775 0.453686 0.554965 H\n0.864225 0.546314 0.445035 H\n0.382819 0.456901 0.565547 H\n0.617181 0.543099 0.434453 H\n0.260449 0.400895 0.469743 H\n0.739551 0.599105 0.530257 H\n0.265308 0.125435 0.490687 H\n0.734692 0.874565 0.509313 H\n0.150787 0.089937 0.577357 H\n0.849213 0.910063 0.422643 H\n0.397092 0.080061 0.581515 H\n0.602908 0.919939 0.418485 H\n0.504989 0.704076 0.287402 H\n0.495011 0.295924 0.712598 H\n0.387083 0.523705 0.284859 H\n0.612917 0.476295 0.715141 H\n0.379707 0.661844 0.370239 H\n0.620293 0.338156 0.629761 H\n0.051918 0.655699 0.355342 H\n0.948082 0.344301 0.644658 H\n0.927275 0.693404 0.261500 H\n0.072725 0.306596 0.738500 H\n0.051874 0.517102 0.269713 H\n0.948126 0.482898 0.730287 H\n0.335543 0.937225 0.276323 H\n0.664457 0.062775 0.723677 H\n0.211307 0.895667 0.359019 H\n0.788693 0.104333 0.640981 H\n0.087263 0.931519 0.265268 H\n0.912737 0.068481 0.734732 H\n0.345129 0.746393 0.162066 H\n0.654871 0.253607 0.837934 H\n0.098044 0.752968 0.150403 H\n0.901956 0.247032 0.849597 H\n0.211534 0.572932 0.158003 H\n0.788466 0.427068 0.841997 H\n0.276514 0.907273 0.009134 C\n0.723486 0.092727 0.990866 C\n0.245459 0.404620 0.963587 C\n0.754541 0.595380 0.036413 C\n0.259376 0.475830 0.525426 C\n0.740624 0.524170 0.474574 C\n0.267951 0.059552 0.543137 C\n0.732049 0.940448 0.456863 C\n0.385016 0.645903 0.305177 C\n0.614984 0.354097 0.694823 C\n0.048529 0.639526 0.289917 C\n0.951471 0.360474 0.710083 C\n0.212328 0.883248 0.293555 C\n0.787672 0.116752 0.706445 C\n0.218107 0.695550 0.177226 C\n0.781893 0.304450 0.822774 C\n0.408650 0.668437 0.843171 S\n0.591350 0.331563 0.156829 S\n0.979012 0.774775 0.843464 S\n0.020988 0.225225 0.156536 S\n0.050830 0.770558 0.638804 S\n0.949170 0.229442 0.361196 S\n0.497449 0.777211 0.647007 S\n0.502551 0.222789 0.352993 S\n0.216077 0.715585 0.266538 N\n0.783923 0.284415 0.733462 N\n0.304356 0.077002 0.790542 Cl\n0.695644 0.922998 0.209458 Cl\n0.228521 0.746200 0.994385 O\n0.771479 0.253800 0.005615 O\n0.119587 0.504169 0.920874 O\n0.880413 0.495831 0.079126 O\n0.257430 0.631253 0.503245 O\n0.742570 0.368747 0.496755 O\n0.254565 0.900457 0.511809 O\n0.745435 0.099543 0.488191 O\n",
"nsites": 90,
"nelements": 8,
"elements": [
"Co",
"P",
"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-Co-H-N-O-P-S",
"density": 1.4931794414243615,
"density_atomic": 0.08379950154026411,
"volume": 1073.9920685179334,
"volume_molar": 7.186368235265066,
"formula_full": "Co2 P4 H48 C16 S8 N2 Cl2 O8",
"formula_reduced": "CoP2H24C8S4NClO4",
"formula_anonymous": "ABCD2E4F4G8H24",
"energy": -484.73414062,
"energy_per_atom": -5.385934895777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -469.9881406200001,
"band_gap": 2.0123,
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"is_magnetic": true,
"total_magnetization": 5.9999873,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.329000Z",
"spacegroup": 2
},
{
"id": "mp-1221086",
"created_at": "2022-09-04T14:44:55.483888Z",
"structure_string": "Na1 Mg3 V3 Cr3 Si6 B3 H3 O31\n1.0\n7.617341 0.000000 0.000000\n-2.532856 9.457648 0.000000\n-2.563426 -4.712186 8.219447\nNa Mg V Cr Si B H O\n1 3 3 3 6 3 3 31\ndirect\n0.770571 0.999876 0.000022 Na\n0.423191 0.769673 0.337935 Mg\n0.091742 0.664942 0.434811 Mg\n0.426603 0.336564 0.771678 Mg\n0.423195 0.997276 0.191574 V\n0.239090 0.812807 0.807494 V\n0.408238 0.182234 0.999699 V\n0.654653 0.563779 0.227583 Cr\n0.653000 0.227219 0.563626 Cr\n0.093271 0.439234 0.664419 Cr\n0.000498 0.813695 0.187778 Si\n0.815061 0.808158 0.622622 Si\n0.186558 0.377296 0.184343 Si\n0.001556 0.188219 0.814088 Si\n0.187349 0.185481 0.376475 Si\n0.815270 0.623288 0.807093 Si\n0.432287 0.670129 0.999328 B\n0.437436 0.001290 0.669681 B\n0.758519 0.331098 0.329056 B\n0.742912 0.002572 0.386490 H\n0.356814 0.611828 0.614716 H\n0.739289 0.381429 0.003472 H\n0.004541 0.999886 0.270624 O\n0.734882 0.728039 0.727393 O\n0.003584 0.269603 0.997836 O\n0.616991 0.006120 0.389833 O\n0.227417 0.608389 0.614055 O\n0.611984 0.381167 0.006034 O\n0.842578 0.725128 0.996219 O\n0.840489 0.998531 0.722739 O\n0.118333 0.270427 0.269736 O\n0.247300 0.016303 0.004644 O\n0.222853 0.828812 0.198267 O\n0.028958 0.801092 0.631977 O\n0.397058 0.371197 0.168241 O\n0.225266 0.197547 0.830992 O\n0.399779 0.174067 0.379541 O\n0.028622 0.626969 0.796899 O\n0.920903 0.716582 0.274378 O\n0.653931 0.717586 0.436847 O\n0.207572 0.558126 0.278548 O\n0.929677 0.279020 0.716568 O\n0.202894 0.281994 0.559261 O\n0.653446 0.437755 0.718111 O\n0.508496 0.677073 0.145312 O\n0.359117 0.856297 0.534183 O\n0.820868 0.474073 0.329766 O\n0.510202 0.149253 0.677876 O\n0.825683 0.325431 0.471757 O\n0.347350 0.526367 0.854639 O\n0.439260 0.817212 0.998730 O\n0.445427 0.007274 0.821603 O\n0.624686 0.184594 0.183403 O\n",
"nsites": 53,
"nelements": 8,
"elements": [
"Na",
"Mg",
"V",
"Cr",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Cr-H-Mg-Na-O-Si-V",
"density": 3.097790459890984,
"density_atomic": 0.08950488239030431,
"volume": 592.1464682661967,
"volume_molar": 6.72828185365266,
"formula_full": "Na1 Mg3 V3 Cr3 Si6 B3 H3 O31",
"formula_reduced": "NaMg3V3Cr3Si6B3H3O31",
"formula_anonymous": "AB3C3D3E3F3G6H31",
"energy": -426.11160007,
"energy_per_atom": -8.039841510754718,
"energy_above_hull": null,
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"energy_uncorrected": -393.71760007,
"band_gap": 1.4672,
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"total_magnetization": 14.0000705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.147000Z",
"spacegroup": 1
},
{
"id": "mp-728472",
"created_at": "2022-09-04T14:42:22.771604Z",
"structure_string": "Fe2 P4 H48 C16 S8 N2 Cl2 O8\n1.0\n7.360818 0.000000 0.000000\n-0.063236 8.795919 0.000000\n-1.314201 -1.700042 16.714409\nFe P H C S N Cl O\n2 4 48 16 8 2 2 8\ndirect\n0.251054 0.831108 0.756642 Fe\n0.748946 0.168892 0.243358 Fe\n0.186416 0.676074 0.905805 P\n0.813584 0.323926 0.094195 P\n0.265936 0.773152 0.573504 P\n0.734064 0.226848 0.426496 P\n0.387997 0.917996 0.060076 H\n0.612003 0.082004 0.939924 H\n0.318011 0.956750 0.959819 H\n0.681989 0.043250 0.040181 H\n0.160515 0.980282 0.036457 H\n0.839485 0.019718 0.963543 H\n0.168272 0.301637 0.966403 H\n0.831728 0.698363 0.033597 H\n0.271072 0.460220 0.028807 H\n0.728928 0.539780 0.971193 H\n0.369842 0.390924 0.937728 H\n0.630158 0.609076 0.062272 H\n0.375130 0.462172 0.568401 H\n0.624870 0.537828 0.431599 H\n0.131191 0.451538 0.548658 H\n0.868809 0.548462 0.451342 H\n0.275791 0.403456 0.469141 H\n0.724209 0.596544 0.530859 H\n0.144289 0.086830 0.575392 H\n0.855711 0.913170 0.424608 H\n0.264813 0.126968 0.490771 H\n0.735187 0.873032 0.509229 H\n0.389688 0.088321 0.582558 H\n0.610312 0.911679 0.417442 H\n0.382447 0.516333 0.281387 H\n0.617553 0.483667 0.718613 H\n0.504823 0.694678 0.283720 H\n0.495177 0.305322 0.716280 H\n0.380039 0.654086 0.367629 H\n0.619961 0.345914 0.632371 H\n0.048421 0.514351 0.269905 H\n0.951579 0.485649 0.730095 H\n0.057390 0.649632 0.357763 H\n0.942611 0.350368 0.642237 H\n0.929008 0.691805 0.266967 H\n0.070992 0.308195 0.733033 H\n0.223534 0.894880 0.358182 H\n0.776466 0.105120 0.641818 H\n0.097498 0.928746 0.266031 H\n0.902502 0.071254 0.733969 H\n0.343607 0.928781 0.272591 H\n0.656393 0.071219 0.727409 H\n0.091750 0.742348 0.151814 H\n0.908250 0.257652 0.848186 H\n0.207546 0.565096 0.157286 H\n0.792454 0.434904 0.842714 H\n0.337439 0.740198 0.158512 H\n0.662561 0.259802 0.841488 H\n0.273831 0.912348 0.013925 C\n0.726169 0.087652 0.986075 C\n0.242369 0.410081 0.966908 C\n0.757631 0.589919 0.033092 C\n0.260672 0.477939 0.524342 C\n0.739328 0.522061 0.475658 C\n0.265933 0.061487 0.542748 C\n0.734067 0.938513 0.457252 C\n0.383977 0.638492 0.302502 C\n0.616023 0.361508 0.697498 C\n0.050000 0.636005 0.292198 C\n0.950000 0.363995 0.707802 C\n0.220407 0.878525 0.292692 C\n0.779593 0.121475 0.707308 C\n0.214055 0.687689 0.176548 C\n0.785945 0.312311 0.823452 C\n0.421168 0.678944 0.852295 S\n0.578832 0.321056 0.147705 S\n0.984232 0.767611 0.842140 S\n0.015768 0.232389 0.157860 S\n0.041497 0.777106 0.633555 S\n0.958503 0.222894 0.366445 S\n0.490002 0.777864 0.647645 S\n0.509998 0.222136 0.352355 S\n0.216970 0.710086 0.266140 N\n0.783030 0.289914 0.733860 N\n0.300667 0.093299 0.793066 Cl\n0.699333 0.906701 0.206934 Cl\n0.214461 0.753865 0.997249 O\n0.785539 0.246135 0.002751 O\n0.123695 0.507866 0.922061 O\n0.876305 0.492134 0.077939 O\n0.260858 0.633064 0.502925 O\n0.739142 0.366936 0.497075 O\n0.263838 0.902065 0.511367 O\n0.736162 0.097935 0.488633 O\n",
"nsites": 90,
"nelements": 8,
"elements": [
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"P",
"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-Fe-H-N-O-P-S",
"density": 1.4724085264580182,
"density_atomic": 0.08316568773564643,
"volume": 1082.1770666537066,
"volume_molar": 7.24113624736947,
"formula_full": "Fe2 P4 H48 C16 S8 N2 Cl2 O8",
"formula_reduced": "FeP2H24C8S4NClO4",
"formula_anonymous": "ABCD2E4F4G8H24",
"energy": -488.3513319300001,
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"updated_at": "2021-11-28T01:35:46.282000Z",
"spacegroup": 2
},
{
"id": "mp-1204081",
"created_at": "2022-09-04T14:47:40.971572Z",
"structure_string": "Cu12 Mo4 H96 C32 S12 I12 N8 O4\n1.0\n0.000000 10.014011 0.000000\n-0.122970 0.000000 15.095175\n18.611078 0.000000 -3.982769\nCu Mo H C S I N O\n12 4 96 32 12 12 8 4\ndirect\n0.694162 0.943058 0.284944 Cu\n0.194162 0.556942 0.715056 Cu\n0.305838 0.056942 0.715056 Cu\n0.805838 0.443058 0.284944 Cu\n0.673626 0.778489 0.116522 Cu\n0.173626 0.721511 0.883478 Cu\n0.326374 0.221511 0.883478 Cu\n0.826374 0.278489 0.116522 Cu\n0.691656 0.701535 0.283996 Cu\n0.191656 0.798465 0.716004 Cu\n0.308344 0.298465 0.716004 Cu\n0.808344 0.201535 0.283996 Cu\n0.851626 0.805243 0.223335 Mo\n0.351626 0.694757 0.776665 Mo\n0.148374 0.194757 0.776665 Mo\n0.648374 0.305243 0.223335 Mo\n0.069845 0.986499 0.134412 H\n0.569845 0.513501 0.865588 H\n0.930155 0.013501 0.865588 H\n0.430155 0.486499 0.134412 H\n0.198876 0.902422 0.125623 H\n0.698876 0.597578 0.874377 H\n0.801124 0.097578 0.874377 H\n0.301124 0.402422 0.125623 H\n0.186676 0.991025 0.206163 H\n0.686676 0.508975 0.793837 H\n0.813324 0.008975 0.793837 H\n0.313324 0.491025 0.206163 H\n0.469441 0.055733 0.101719 H\n0.969441 0.444267 0.898281 H\n0.530559 0.944267 0.898281 H\n0.030559 0.555733 0.101719 H\n0.425634 0.028384 0.185826 H\n0.925634 0.471616 0.814174 H\n0.574366 0.971616 0.814174 H\n0.074366 0.528384 0.185826 H\n0.426154 0.940457 0.104412 H\n0.926154 0.559543 0.895588 H\n0.573846 0.059543 0.895588 H\n0.073846 0.440457 0.104412 H\n0.302317 0.060443 0.011988 H\n0.802317 0.439557 0.988012 H\n0.697683 0.939557 0.988012 H\n0.197683 0.560443 0.011988 H\n0.267356 0.943370 0.012793 H\n0.767356 0.556630 0.987207 H\n0.732644 0.056630 0.987207 H\n0.232644 0.443370 0.012793 H\n0.134478 0.025390 0.024827 H\n0.634478 0.474610 0.975173 H\n0.865522 0.974610 0.975173 H\n0.365522 0.525390 0.024827 H\n0.297285 0.173734 0.122270 H\n0.797285 0.326266 0.877730 H\n0.702715 0.826266 0.877730 H\n0.202715 0.673734 0.122270 H\n0.130610 0.144959 0.145851 H\n0.630610 0.355041 0.854149 H\n0.869390 0.855041 0.854149 H\n0.369390 0.644959 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{
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"elements": [
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"updated_at": "2021-11-28T01:36:37.918000Z",
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},
{
"id": "mp-1223707",
"created_at": "2022-09-04T14:47:43.412549Z",
"structure_string": "K2 Na4 Li2 Ti4 Mn2 Fe2 Si16 O48\n1.0\n6.380494 8.316912 0.000000\n-6.380494 8.316912 0.000000\n0.000000 4.386832 9.146573\nK Na Li Ti Mn Fe Si O\n2 4 2 4 2 2 16 48\ndirect\n0.418311 0.580565 0.750271 K\n0.580565 0.418311 0.250271 K\n0.936818 0.537592 0.802394 Na\n0.463808 0.065056 0.691165 Na\n0.065056 0.463808 0.191165 Na\n0.537592 0.936818 0.302394 Na\n0.935919 0.068154 0.745499 Li\n0.068154 0.935919 0.245499 Li\n0.141967 0.035898 0.881539 Ti\n0.035898 0.141967 0.381539 Ti\n0.664281 0.019464 0.896252 Ti\n0.019464 0.664281 0.396252 Ti\n0.966515 0.853274 0.615767 Mn\n0.853274 0.966515 0.115767 Mn\n0.977649 0.343554 0.598932 Fe\n0.343554 0.977649 0.098932 Fe\n0.260584 0.449631 0.558529 Si\n0.552848 0.738724 0.940374 Si\n0.738724 0.552848 0.440374 Si\n0.449631 0.260584 0.058529 Si\n0.252568 0.959679 0.579542 Si\n0.045139 0.744152 0.918824 Si\n0.744152 0.045139 0.418824 Si\n0.959679 0.252568 0.079542 Si\n0.705325 0.752502 0.609542 Si\n0.244219 0.295774 0.888741 Si\n0.295774 0.244219 0.388741 Si\n0.752502 0.705325 0.109542 Si\n0.708554 0.247590 0.583674 Si\n0.749480 0.295538 0.916116 Si\n0.295538 0.749480 0.416116 Si\n0.247590 0.708554 0.083674 Si\n0.812424 0.392950 0.757812 O\n0.610594 0.181675 0.747288 O\n0.181675 0.610594 0.247288 O\n0.392950 0.812424 0.257812 O\n0.094885 0.007252 0.566724 O\n0.011569 0.906402 0.921686 O\n0.906402 0.011569 0.421686 O\n0.007252 0.094885 0.066724 O\n0.873149 0.212184 0.564325 O\n0.776374 0.129916 0.928150 O\n0.129916 0.776374 0.428150 O\n0.212184 0.873149 0.064325 O\n0.290550 0.388862 0.719895 O\n0.610634 0.709530 0.779213 O\n0.709530 0.610634 0.279213 O\n0.388862 0.290550 0.219895 O\n0.061393 0.715487 0.769304 O\n0.274253 0.944309 0.736734 O\n0.944309 0.274253 0.236734 O\n0.715487 0.061393 0.269304 O\n0.100016 0.489123 0.566026 O\n0.523306 0.903168 0.924191 O\n0.903168 0.523306 0.424191 O\n0.489123 0.100016 0.066026 O\n0.322952 0.816400 0.531326 O\n0.184153 0.667258 0.976360 O\n0.667258 0.184153 0.476360 O\n0.816400 0.322952 0.031326 O\n0.661286 0.417010 0.525215 O\n0.580633 0.344972 0.977528 O\n0.344972 0.580633 0.477528 O\n0.417010 0.661286 0.025215 O\n0.659770 0.919763 0.547167 O\n0.079033 0.347754 0.958134 O\n0.347754 0.079033 0.458134 O\n0.919763 0.659770 0.047167 O\n0.655050 0.672091 0.525954 O\n0.328163 0.338662 0.973996 O\n0.338662 0.328163 0.473996 O\n0.672091 0.655050 0.025954 O\n0.869109 0.708928 0.589999 O\n0.278708 0.131706 0.901502 O\n0.131706 0.278708 0.401502 O\n0.708928 0.869109 0.089999 O\n0.073756 0.172381 0.756981 O\n0.798140 0.941186 0.777330 O\n0.941186 0.798140 0.277330 O\n0.172381 0.073756 0.256981 O\n",
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],
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"volume_molar": 7.3074478867520485,
"formula_full": "K2 Na4 Li2 Ti4 Mn2 Fe2 Si16 O48",
"formula_reduced": "KNa2LiTi2MnFe(SiO3)8",
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"updated_at": "2021-11-28T01:38:21.085000Z",
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},
{
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"structure_string": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1\n1.0\n5.234752 -8.037285 0.000000\n5.234752 8.037285 0.000000\n-7.105459 0.000000 6.443060\nNa Al Fe Si B H O F\n1 6 3 6 3 3 30 1\ndirect\n0.219193 0.219193 0.219193 Na\n0.906405 0.572860 0.349263 Al\n0.349263 0.906405 0.572860 Al\n0.572860 0.349263 0.906405 Al\n0.349263 0.572860 0.906405 Al\n0.906405 0.349263 0.572860 Al\n0.572860 0.906405 0.349263 Al\n0.576693 0.743648 0.576693 Fe\n0.576693 0.576693 0.743648 Fe\n0.743648 0.576693 0.576693 Fe\n0.187735 0.994072 0.805322 Si\n0.805322 0.187735 0.994072 Si\n0.994072 0.805322 0.187735 Si\n0.805322 0.994072 0.187735 Si\n0.187735 0.805322 0.994072 Si\n0.994072 0.187735 0.805322 Si\n0.560193 0.226575 0.560193 B\n0.560193 0.560193 0.226575 B\n0.226575 0.560193 0.560193 B\n0.245066 0.642834 0.245066 H\n0.245066 0.245066 0.642834 H\n0.642834 0.245066 0.245066 H\n0.528304 0.342087 0.528303 O\n0.528304 0.528304 0.342087 O\n0.342087 0.528304 0.528304 O\n0.375594 0.781934 0.375594 O\n0.375594 0.375594 0.781934 O\n0.781934 0.375594 0.375594 O\n0.160213 0.880705 0.160213 O\n0.160213 0.160213 0.880705 O\n0.880705 0.160213 0.160213 O\n0.993169 0.273166 0.993169 O\n0.993169 0.993169 0.273166 O\n0.273166 0.993169 0.993169 O\n0.969220 0.765451 0.585356 O\n0.585356 0.969220 0.765451 O\n0.765451 0.585356 0.969220 O\n0.585356 0.765451 0.969220 O\n0.969220 0.585356 0.765451 O\n0.765451 0.969220 0.585356 O\n0.364178 0.078736 0.793006 O\n0.793006 0.364178 0.078736 O\n0.078736 0.793006 0.364178 O\n0.793006 0.078736 0.364178 O\n0.364178 0.793006 0.078736 O\n0.078736 0.364178 0.793006 O\n0.651842 0.502606 0.168369 O\n0.168369 0.651842 0.502606 O\n0.502606 0.168369 0.651842 O\n0.168369 0.502606 0.651842 O\n0.651842 0.168369 0.502606 O\n0.502606 0.651842 0.168369 O\n0.849422 0.849422 0.849422 F\n",
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],
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"formula_full": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1",
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"updated_at": "2021-11-28T01:34:41.182000Z",
"spacegroup": 160
},
{
"id": "mp-1213587",
"created_at": "2022-09-04T14:43:54.124542Z",
"structure_string": "K4 Ba2 Na4 Ti8 Mn1 Si16 W8 O58\n1.0\n7.142158 7.824797 0.000000\n-7.142158 7.824797 0.000000\n0.000000 6.048685 13.214019\nK Ba Na Ti Mn Si W O\n4 2 4 8 1 16 8 58\ndirect\n0.410209 0.410209 0.182328 K\n0.589791 0.589791 0.817672 K\n0.912590 0.912590 0.692761 K\n0.087410 0.087410 0.307239 K\n0.603983 0.603983 0.329762 Ba\n0.396017 0.396017 0.670238 Ba\n0.478017 0.971086 0.385294 Na\n0.521983 0.028914 0.614706 Na\n0.028914 0.521983 0.614706 Na\n0.971086 0.478017 0.385294 Na\n0.727215 0.272785 0.500000 Ti\n0.272785 0.727215 0.500000 Ti\n0.765420 0.234580 0.000000 Ti\n0.234580 0.765420 0.000000 Ti\n0.737764 0.264235 0.257179 Ti\n0.262236 0.735765 0.742821 Ti\n0.735765 0.262236 0.742821 Ti\n0.264235 0.737764 0.257179 Ti\n0.000000 0.000000 0.000000 Mn\n0.263107 0.043296 0.061115 Si\n0.736893 0.956704 0.938885 Si\n0.956704 0.736893 0.938885 Si\n0.043296 0.263107 0.061115 Si\n0.520051 0.735113 0.063378 Si\n0.479949 0.264887 0.936622 Si\n0.264887 0.479949 0.936622 Si\n0.735113 0.520051 0.063378 Si\n0.764624 0.985605 0.440281 Si\n0.235375 0.014395 0.559719 Si\n0.014395 0.235376 0.559719 Si\n0.985605 0.764625 0.440281 Si\n0.458072 0.243322 0.439552 Si\n0.541928 0.756678 0.560448 Si\n0.756678 0.541928 0.560448 Si\n0.243322 0.458072 0.439552 Si\n0.751611 0.966907 0.214968 W\n0.248389 0.033093 0.785032 W\n0.033093 0.248389 0.785032 W\n0.966907 0.751611 0.214968 W\n0.495518 0.050749 0.164541 W\n0.504482 0.949251 0.835459 W\n0.949251 0.504482 0.835459 W\n0.050749 0.495518 0.164541 W\n0.613450 0.866057 0.028872 O\n0.386550 0.133943 0.971128 O\n0.133943 0.386550 0.971128 O\n0.866057 0.613450 0.028872 O\n0.320017 0.767163 0.353619 O\n0.679983 0.232837 0.646381 O\n0.232837 0.679983 0.646381 O\n0.767163 0.320017 0.353619 O\n0.151028 0.151028 0.099831 O\n0.848972 0.848972 0.900169 O\n0.612141 0.612141 0.030714 O\n0.387859 0.387859 0.969286 O\n0.639336 0.639336 0.605925 O\n0.360664 0.360664 0.394075 O\n0.445157 0.684498 0.184047 O\n0.554843 0.315502 0.815953 O\n0.315502 0.554843 0.815953 O\n0.684498 0.445157 0.184047 O\n0.789682 0.039906 0.997855 O\n0.210318 0.960094 0.002145 O\n0.960094 0.210318 0.002145 O\n0.039906 0.789682 0.997855 O\n0.633671 0.887483 0.482540 O\n0.366329 0.112517 0.517460 O\n0.112517 0.366329 0.517460 O\n0.887483 0.633671 0.482540 O\n0.731291 0.082646 0.510517 O\n0.268709 0.917354 0.489483 O\n0.917354 0.268709 0.489483 O\n0.082646 0.731291 0.510517 O\n0.581350 0.229426 0.004693 O\n0.418650 0.770574 0.995307 O\n0.770574 0.418650 0.995307 O\n0.229426 0.581350 0.004693 O\n0.527340 0.288581 0.509488 O\n0.472660 0.711419 0.490512 O\n0.711419 0.472660 0.490512 O\n0.288581 0.527340 0.509488 O\n0.697775 0.169572 0.150585 O\n0.302225 0.830428 0.849415 O\n0.830428 0.302225 0.849415 O\n0.169572 0.697775 0.150585 O\n0.554100 0.204688 0.341622 O\n0.445900 0.795312 0.658378 O\n0.795312 0.445900 0.658378 O\n0.204688 0.554100 0.341622 O\n0.791791 0.062819 0.319239 O\n0.208209 0.937181 0.680761 O\n0.937181 0.208209 0.680761 O\n0.062819 0.791791 0.319239 O\n0.313908 0.951834 0.157111 O\n0.686092 0.048166 0.842889 O\n0.048166 0.686092 0.842889 O\n0.951834 0.313908 0.157111 O\n0.953821 0.953821 0.157426 O\n0.046179 0.046179 0.842574 O\n0.896587 0.896587 0.457812 O\n0.103413 0.103413 0.542188 O\n",
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"elements": [
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],
"chemical_system": "Ba-K-Mn-Na-O-Si-Ti-W",
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"formula_full": "K4 Ba2 Na4 Ti8 Mn1 Si16 W8 O58",
"formula_reduced": "K4Ba2Na4Ti8MnSi16(W4O29)2",
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"spacegroup": 12
},
{
"id": "mp-1221189",
"created_at": "2022-09-04T14:43:13.152797Z",
"structure_string": "Na5 Ca7 Zr2 Ti1 Mn1 Si8 O32 F4\n1.0\n7.274911 0.000000 0.000000\n-1.843364 9.994619 0.000000\n-0.017438 -4.391231 10.695085\nNa Ca Zr Ti Mn Si O F\n5 7 2 1 1 8 32 4\ndirect\n0.408830 0.642715 0.710220 Na\n0.591170 0.357285 0.289780 Na\n0.754279 0.003745 0.746092 Na\n0.245721 0.996255 0.253908 Na\n0.500000 0.000000 0.500000 Na\n0.412316 0.633538 0.210314 Ca\n0.587684 0.366462 0.789686 Ca\n0.230219 0.993683 0.741949 Ca\n0.769781 0.006317 0.258051 Ca\n0.910981 0.639435 0.216200 Ca\n0.089019 0.360565 0.783800 Ca\n0.500000 0.000000 0.000000 Ca\n0.914095 0.651764 0.724097 Zr\n0.085905 0.348236 0.275903 Zr\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Mn\n0.653255 0.717621 0.986532 Si\n0.346745 0.282379 0.013468 Si\n0.204833 0.721959 0.989419 Si\n0.795167 0.278041 0.010581 Si\n0.206880 0.707630 0.490754 Si\n0.793120 0.292370 0.509246 Si\n0.654023 0.707512 0.487638 Si\n0.345977 0.292488 0.512362 Si\n0.141736 0.591261 0.347642 O\n0.858264 0.408739 0.652358 O\n0.661134 0.607929 0.342218 O\n0.338866 0.392071 0.657782 O\n0.123034 0.659870 0.603303 O\n0.876966 0.340130 0.396697 O\n0.695799 0.620864 0.844638 O\n0.304201 0.379136 0.155362 O\n0.777017 0.873091 0.523196 O\n0.222983 0.126909 0.476804 O\n0.710297 0.649652 0.595104 O\n0.289703 0.350348 0.404896 O\n0.169735 0.870468 0.518640 O\n0.830265 0.129532 0.481360 O\n0.171735 0.890786 0.035678 O\n0.828265 0.109214 0.964322 O\n0.974182 0.871205 0.824648 O\n0.025818 0.128795 0.175352 O\n0.163115 0.656841 0.096167 O\n0.836885 0.343159 0.903833 O\n0.664614 0.645452 0.088429 O\n0.335386 0.354548 0.911571 O\n0.437921 0.750620 0.975204 O\n0.562079 0.249380 0.024796 O\n0.110039 0.621016 0.848561 O\n0.889961 0.378984 0.151439 O\n0.776441 0.885896 0.037413 O\n0.223559 0.114104 0.962587 O\n0.963039 0.891540 0.323641 O\n0.036961 0.108460 0.676359 O\n0.436728 0.734851 0.508914 O\n0.563272 0.265149 0.491086 O\n0.488656 0.879421 0.291541 F\n0.511344 0.120579 0.708459 F\n0.460682 0.894565 0.793309 F\n0.539318 0.105435 0.206691 F\n",
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"formula_full": "Na5 Ca7 Zr2 Ti1 Mn1 Si8 O32 F4",
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"updated_at": "2021-11-28T01:36:10.091000Z",
"spacegroup": 2
}
]
}