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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=21",
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"results": [
{
"id": "mp-1199171",
"created_at": "2022-09-04T14:40:14.398677Z",
"structure_string": "Co1 H24 C4 S4 N8 Cl2 O8\n1.0\n8.595304 0.000000 0.000000\n3.811151 8.139161 0.000000\n2.103844 1.740007 8.729102\nCo H C S N Cl O\n1 24 4 4 8 2 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.601060 0.606802 0.385459 H\n0.398940 0.393198 0.614541 H\n0.733472 0.386279 0.407062 H\n0.266528 0.613721 0.592938 H\n0.823594 0.539908 0.297945 H\n0.176406 0.460092 0.702055 H\n0.825410 0.376230 0.977884 H\n0.174590 0.623770 0.022116 H\n0.668417 0.198744 0.133283 H\n0.331583 0.801256 0.866717 H\n0.813859 0.136733 0.250384 H\n0.186141 0.863267 0.749616 H\n0.647553 0.767529 0.588155 H\n0.352447 0.232471 0.411845 H\n0.768711 0.689164 0.746985 H\n0.231289 0.310836 0.253015 H\n0.867774 0.755116 0.555760 H\n0.132226 0.244884 0.444240 H\n0.849759 0.085717 0.710723 H\n0.150241 0.914283 0.289277 H\n0.676186 0.020316 0.958580 H\n0.323814 0.979684 0.041420 H\n0.821923 0.828143 0.961331 H\n0.178077 0.171857 0.038669 H\n0.708124 0.509266 0.331124 C\n0.291876 0.490734 0.668876 C\n0.748147 0.776199 0.636572 C\n0.251853 0.223801 0.363428 C\n0.638551 0.508230 0.163246 S\n0.361449 0.491770 0.836754 S\n0.667503 0.982783 0.669668 S\n0.332497 0.017217 0.330332 S\n0.804451 0.345854 0.095893 N\n0.195549 0.654146 0.904107 N\n0.791875 0.186104 0.138658 N\n0.208125 0.813896 0.861342 N\n0.824185 0.978626 0.754837 N\n0.175815 0.021374 0.245163 N\n0.801804 0.951515 0.917854 N\n0.198196 0.048485 0.082146 N\n0.010453 0.778161 0.217984 Cl\n0.989547 0.221839 0.782016 Cl\n0.482748 0.472546 0.208220 O\n0.517252 0.527454 0.791780 O\n0.639131 0.655490 0.048996 O\n0.360869 0.344510 0.951004 O\n0.508163 0.011256 0.775510 O\n0.491837 0.988744 0.224490 O\n0.669246 0.098958 0.524386 O\n0.330754 0.901042 0.475614 O\n",
"nsites": 51,
"nelements": 7,
"elements": [
"Co",
"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-Co-H-N-O-S",
"density": 1.550972041026512,
"density_atomic": 0.08351408495896742,
"volume": 610.6754330728473,
"volume_molar": 7.210928267918915,
"formula_full": "Co1 H24 C4 S4 N8 Cl2 O8",
"formula_reduced": "CoH24C4S4N8(ClO4)2",
"formula_anonymous": "AB2C4D4E8F8G24",
"energy": -280.54310391,
"energy_per_atom": -5.500845174705883,
"energy_above_hull": null,
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"energy_uncorrected": -269.29310391,
"band_gap": 1.4274,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0106835,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.607000Z",
"spacegroup": 2
},
{
"id": "mp-1198245",
"created_at": "2022-09-04T14:40:40.820615Z",
"structure_string": "Ga1 Si6 Bi1 H54 C18 N4 Cl4\n1.0\n9.790007 0.000000 0.000000\n0.445033 10.186140 0.000000\n4.698334 3.812292 11.273994\nGa Si Bi H C N Cl\n1 6 1 54 18 4 4\ndirect\n0.991993 0.688859 0.218884 Ga\n0.559310 0.225115 0.870037 Si\n0.354104 0.559117 0.814587 Si\n0.651542 0.611630 0.850945 Si\n0.549809 0.087282 0.273945 Si\n0.279991 0.288899 0.468200 Si\n0.115626 0.076532 0.407418 Si\n0.370390 0.352830 0.121745 Bi\n0.393443 0.030374 0.041656 H\n0.448679 0.995755 0.906179 H\n0.306410 0.107250 0.939947 H\n0.830517 0.228708 0.831281 H\n0.754236 0.067971 0.841688 H\n0.730133 0.106064 0.972374 H\n0.488354 0.325029 0.693993 H\n0.633653 0.214774 0.668140 H\n0.671635 0.386234 0.662552 H\n0.253313 0.313189 0.869691 H\n0.132457 0.438432 0.832626 H\n0.144486 0.395109 0.973846 H\n0.489630 0.713471 0.606249 H\n0.319883 0.637497 0.624424 H\n0.476947 0.539734 0.608606 H\n0.270386 0.710336 0.945988 H\n0.148434 0.701253 0.875216 H\n0.314315 0.809786 0.794079 H\n0.843276 0.440772 0.841317 H\n0.920284 0.614967 0.771329 H\n0.847247 0.534730 0.696108 H\n0.655977 0.788626 0.661493 H\n0.752192 0.848856 0.732829 H\n0.557031 0.845562 0.785530 H\n0.542410 0.673859 0.038350 H\n0.737855 0.696408 0.978370 H\n0.651924 0.529008 0.058607 H\n0.428483 0.863623 0.297751 H\n0.624409 0.868068 0.237345 H\n0.527494 0.953920 0.145579 H\n0.709571 0.251346 0.075581 H\n0.811771 0.133549 0.145882 H\n0.746414 0.279180 0.193633 H\n0.584937 0.118704 0.448740 H\n0.656357 0.964842 0.418973 H\n0.463460 0.968689 0.491923 H\n0.554964 0.341747 0.363306 H\n0.473157 0.444349 0.455783 H\n0.457280 0.485496 0.316045 H\n0.161194 0.101577 0.662838 H\n0.262425 0.231798 0.674969 H\n0.356588 0.102919 0.615671 H\n0.098776 0.457395 0.418971 H\n0.164488 0.488410 0.521248 H\n0.026193 0.352081 0.570931 H\n0.074535 0.182465 0.217673 H\n0.996334 0.009591 0.291833 H\n0.187382 0.038744 0.209623 H\n0.242382 0.857001 0.443122 H\n0.048299 0.824994 0.503484 H\n0.138671 0.888340 0.578767 H\n0.942804 0.129038 0.588743 H\n0.851693 0.057405 0.519949 H\n0.917308 0.235730 0.457751 H\n0.412692 0.077815 0.947019 C\n0.734730 0.152009 0.881280 C\n0.590354 0.295733 0.708768 C\n0.209334 0.411214 0.879399 C\n0.417919 0.616543 0.648273 C\n0.265818 0.709200 0.861817 C\n0.831435 0.542422 0.783472 C\n0.651188 0.789682 0.748365 C\n0.642549 0.627937 0.995410 C\n0.529611 0.929130 0.234835 C\n0.719111 0.199257 0.161666 C\n0.563715 0.030619 0.423291 C\n0.458501 0.398760 0.392894 C\n0.264707 0.168743 0.618493 C\n0.126921 0.406195 0.496696 C\n0.094328 0.078553 0.267507 C\n0.139516 0.895147 0.491000 C\n0.941993 0.131836 0.502442 C\n0.500217 0.358811 0.937906 N\n0.498752 0.502452 0.871453 N\n0.398509 0.193489 0.271780 N\n0.269432 0.194497 0.372240 N\n0.844303 0.695089 0.395582 Cl\n0.951108 0.858998 0.080312 Cl\n0.955449 0.484493 0.200871 Cl\n0.226136 0.708330 0.199385 Cl\n",
"nsites": 88,
"nelements": 7,
"elements": [
"Ga",
"Si",
"Bi",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "Bi-C-Cl-Ga-H-N-Si",
"density": 1.3524485477812396,
"density_atomic": 0.07827304506763309,
"volume": 1124.269535239905,
"volume_molar": 7.6937606743119185,
"formula_full": "Ga1 Si6 Bi1 H54 C18 N4 Cl4",
"formula_reduced": "GaSi6BiH54C18(NCl)4",
"formula_anonymous": "ABC4D4E6F18G54",
"energy": -453.7926943400001,
"energy_per_atom": -5.156735162954546,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -451.33669434000007,
"band_gap": 1.3898,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0982083,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.751000Z",
"spacegroup": 1
},
{
"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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"updated_at": "2021-11-28T01:34:59.623000Z",
"spacegroup": 2
},
{
"id": "mp-1223590",
"created_at": "2022-09-04T14:41:02.748060Z",
"structure_string": "K1 Mg1 Mn2 Al1 Ge3 O10 F2\n1.0\n2.740366 4.811248 -0.502866\n2.738288 -4.808884 -0.491316\n0.014449 0.012710 -10.701754\nK Mg Mn Al Ge O F\n1 1 2 1 3 10 2\ndirect\n0.493631 0.489632 0.024963 K\n0.331234 0.672439 0.494090 Mg\n0.997470 0.995232 0.489783 Mn\n0.678373 0.340670 0.489804 Mn\n0.095606 0.757422 0.223919 Al\n0.757215 0.089303 0.219228 Ge\n0.913996 0.243865 0.773417 Ge\n0.245798 0.907419 0.773069 Ge\n0.019182 0.016418 0.166253 O\n0.992666 0.989135 0.839491 O\n0.872118 0.443829 0.166857 O\n0.447786 0.875314 0.159461 O\n0.115750 0.551719 0.842662 O\n0.556338 0.117171 0.838524 O\n0.048694 0.703632 0.393456 O\n0.688752 0.024133 0.391142 O\n0.975028 0.306166 0.607208 O\n0.298969 0.957498 0.606700 O\n0.365529 0.386999 0.400800 F\n0.605862 0.632006 0.599176 F\n",
"nsites": 20,
"nelements": 7,
"elements": [
"K",
"Mg",
"Mn",
"Al",
"Ge",
"O",
"F"
],
"chemical_system": "Al-F-Ge-K-Mg-Mn-O",
"density": 3.6289255109261878,
"density_atomic": 0.07093444570905111,
"volume": 281.95046567408417,
"volume_molar": 8.489726958184416,
"formula_full": "K1 Mg1 Mn2 Al1 Ge3 O10 F2",
"formula_reduced": "KMgMn2AlGe3(O5F)2",
"formula_anonymous": "ABCD2E2F3G10",
"energy": -143.51831953,
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"updated_at": "2021-11-28T01:35:09.324000Z",
"spacegroup": 1
},
{
"id": "mp-1215002",
"created_at": "2022-09-04T14:41:31.744183Z",
"structure_string": "Ag4 H16 C4 S4 N10 Cl2 O6\n1.0\n6.534733 0.000000 0.000000\n1.720797 7.699589 0.000000\n1.522594 1.281215 11.926373\nAg H C S N Cl O\n4 16 4 4 10 2 6\ndirect\n0.575046 0.667328 0.064846 Ag\n0.424954 0.332672 0.935154 Ag\n0.011761 0.627591 0.845067 Ag\n0.988239 0.372409 0.154933 Ag\n0.267277 0.583870 0.260617 H\n0.732723 0.416130 0.739383 H\n0.512228 0.025899 0.645244 H\n0.487772 0.974101 0.354756 H\n0.230533 0.007312 0.314498 H\n0.769467 0.992688 0.685502 H\n0.754356 0.299430 0.428942 H\n0.245644 0.700570 0.571058 H\n0.762474 0.023929 0.226078 H\n0.237526 0.976071 0.773922 H\n0.714401 0.116653 0.088883 H\n0.285599 0.883347 0.911117 H\n0.498332 0.254478 0.459826 H\n0.501668 0.745522 0.540174 H\n0.221107 0.424915 0.372026 H\n0.778893 0.575085 0.627974 H\n0.453110 0.074884 0.192250 C\n0.546890 0.925116 0.807750 C\n0.528994 0.450197 0.333960 C\n0.471006 0.549803 0.666040 C\n0.298642 0.428732 0.745765 S\n0.701358 0.571268 0.254235 S\n0.277526 0.138639 0.089732 S\n0.722474 0.861361 0.910268 S\n0.120411 0.167967 0.559183 N\n0.879589 0.832033 0.440817 N\n0.658232 0.072915 0.167462 N\n0.341768 0.927085 0.832538 N\n0.382963 0.019899 0.295652 N\n0.617037 0.980101 0.704348 N\n0.600792 0.323853 0.412160 N\n0.399208 0.676147 0.587840 N\n0.324322 0.488997 0.321032 N\n0.675678 0.511003 0.678968 N\n0.183316 0.659995 0.057492 Cl\n0.816684 0.340005 0.942508 Cl\n0.319709 0.114892 0.541577 O\n0.680291 0.885108 0.458423 O\n0.026183 0.281219 0.488223 O\n0.973817 0.718781 0.511777 O\n0.021791 0.106711 0.646613 O\n0.978209 0.893289 0.353387 O\n",
"nsites": 46,
"nelements": 7,
"elements": [
"Ag",
"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "Ag-C-Cl-H-N-O-S",
"density": 2.575937398817746,
"density_atomic": 0.07665739429229394,
"volume": 600.0725751856686,
"volume_molar": 7.855916334747347,
"formula_full": "Ag4 H16 C4 S4 N10 Cl2 O6",
"formula_reduced": "Ag2H8C2S2N5ClO3",
"formula_anonymous": "AB2C2D2E3F5G8",
"energy": -261.41536536,
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"energy_uncorrected": -250.44336536,
"band_gap": 2.4575,
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"updated_at": "2021-11-28T01:35:23.693000Z",
"spacegroup": 2
},
{
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{
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"structure_string": "Mo8 P9 H56 N12 Cl1 O56\n1.0\n9.821786 0.000000 0.000000\n0.000000 9.821786 0.000000\n0.000000 0.000000 14.841888\nMo P H N Cl O\n8 9 56 12 1 56\ndirect\n0.143910 0.370486 0.837553 Mo\n0.648174 0.123750 0.806592 Mo\n0.629514 0.143910 0.162447 Mo\n0.351826 0.876250 0.806592 Mo\n0.856090 0.629514 0.837553 Mo\n0.370486 0.856090 0.162447 Mo\n0.123750 0.351826 0.193408 Mo\n0.876250 0.648174 0.193408 Mo\n0.648238 0.822441 0.691404 P\n0.649568 0.858837 0.300086 P\n0.350432 0.141163 0.300086 P\n0.822441 0.351762 0.308596 P\n0.141163 0.649568 0.699914 P\n0.351762 0.177559 0.691404 P\n0.500000 0.500000 0.500000 P\n0.858837 0.350432 0.699914 P\n0.177559 0.648238 0.308596 P\n0.585532 0.512392 0.201868 H\n0.086564 0.998715 0.703415 H\n0.689407 0.046538 0.588348 H\n0.326738 0.665177 0.418608 H\n0.633298 0.893609 0.051994 H\n0.489956 0.585425 0.281696 H\n0.001285 0.086564 0.296585 H\n0.510044 0.414575 0.281696 H\n0.487608 0.585532 0.798132 H\n0.310593 0.953462 0.588348 H\n0.240456 0.123225 0.974954 H\n0.366702 0.106391 0.051994 H\n0.106391 0.633298 0.948006 H\n0.111859 0.220979 0.498846 H\n0.334823 0.326738 0.581392 H\n0.687373 0.735651 0.021641 H\n0.001897 0.085508 0.783483 H\n0.512392 0.414468 0.798132 H\n0.046538 0.310593 0.411652 H\n0.673262 0.334823 0.418608 H\n0.646083 0.011066 0.479578 H\n0.011066 0.353917 0.520422 H\n0.876775 0.240456 0.025046 H\n0.312627 0.264349 0.021641 H\n0.759544 0.876775 0.974954 H\n0.998103 0.914492 0.783483 H\n0.988934 0.646083 0.520422 H\n0.953462 0.689407 0.411652 H\n0.414468 0.487608 0.201868 H\n0.400729 0.168151 0.949540 H\n0.893609 0.366702 0.948006 H\n0.888141 0.779021 0.498846 H\n0.779021 0.111859 0.501154 H\n0.569207 0.750320 0.421092 H\n0.264349 0.687373 0.978359 H\n0.830444 0.619762 0.477079 H\n0.750320 0.430793 0.578908 H\n0.619762 0.169556 0.522921 H\n0.913436 0.001285 0.703415 H\n0.380238 0.830444 0.522921 H\n0.831849 0.400729 0.050460 H\n0.168151 0.599271 0.050460 H\n0.353917 0.988934 0.479578 H\n0.085508 0.998103 0.216517 H\n0.430793 0.249680 0.421092 H\n0.665177 0.673262 0.581392 H\n0.998715 0.913436 0.296585 H\n0.220979 0.888141 0.501154 H\n0.169556 0.380238 0.477079 H\n0.249680 0.569207 0.578908 H\n0.599271 0.831849 0.949540 H\n0.914492 0.001897 0.216517 H\n0.123225 0.759544 0.025046 H\n0.585425 0.510044 0.718304 H\n0.414575 0.489956 0.718304 H\n0.735651 0.312627 0.978359 H\n0.165478 0.670888 0.000060 N\n0.914350 0.682176 0.477186 N\n0.000000 0.000000 0.257114 N\n0.500000 0.500000 0.241987 N\n0.085650 0.317824 0.477186 N\n0.500000 0.500000 0.758013 N\n0.317824 0.914350 0.522814 N\n0.670888 0.834522 0.999940 N\n0.834522 0.329112 0.000060 N\n0.000000 0.000000 0.742886 N\n0.329112 0.165478 0.999940 N\n0.682176 0.085650 0.522814 N\n0.000000 0.000000 0.500000 Cl\n0.010195 0.331310 0.714860 O\n0.596735 0.269018 0.866458 O\n0.790712 0.467238 0.751055 O\n0.783962 0.781913 0.276284 O\n0.493099 0.812767 0.697155 O\n0.742493 0.580268 0.921462 O\n0.781913 0.216038 0.723716 O\n0.370322 0.472552 0.558276 O\n0.948355 0.765486 0.119794 O\n0.000000 0.500000 0.872271 O\n0.693219 0.773189 0.594699 O\n0.257507 0.419732 0.921462 O\n0.269826 0.714649 0.236317 O\n0.209288 0.532762 0.751055 O\n0.224285 0.929683 0.115869 O\n0.580268 0.257507 0.078538 O\n0.629678 0.527448 0.558276 O\n0.668690 0.010195 0.285140 O\n0.070317 0.224285 0.884131 O\n0.775715 0.070317 0.115869 O\n0.765486 0.051645 0.880206 O\n0.376030 0.162699 0.405261 O\n0.331310 0.989805 0.285140 O\n0.030696 0.702636 0.301680 O\n0.218087 0.783962 0.723716 O\n0.216038 0.218087 0.276284 O\n0.623970 0.837301 0.405261 O\n0.969304 0.297364 0.301680 O\n0.234514 0.948355 0.880206 O\n0.527448 0.370322 0.441724 O\n0.051645 0.234514 0.119794 O\n0.472552 0.629678 0.441724 O\n0.285351 0.269826 0.763683 O\n0.837301 0.376030 0.594739 O\n0.226811 0.693219 0.405301 O\n0.500000 0.000000 0.835242 O\n0.419732 0.742493 0.078538 O\n0.000000 0.500000 0.164758 O\n0.730982 0.596735 0.133542 O\n0.989805 0.668690 0.714860 O\n0.812767 0.506901 0.302845 O\n0.506901 0.187233 0.697155 O\n0.306781 0.226811 0.594699 O\n0.929683 0.775715 0.884131 O\n0.269018 0.403265 0.133542 O\n0.730174 0.285351 0.236317 O\n0.500000 0.000000 0.127729 O\n0.162699 0.623970 0.594739 O\n0.187233 0.493099 0.302845 O\n0.532762 0.790712 0.248945 O\n0.297364 0.030696 0.698320 O\n0.773189 0.306781 0.405301 O\n0.714649 0.730174 0.763683 O\n0.702636 0.969304 0.698320 O\n0.467238 0.209288 0.248945 O\n0.403265 0.730982 0.866458 O\n",
"nsites": 142,
"nelements": 6,
"elements": [
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"H",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-Mo-N-O-P",
"density": 2.554120316544042,
"density_atomic": 0.09917866534797189,
"volume": 1431.7595372128465,
"volume_molar": 6.07201230110438,
"formula_full": "Mo8 P9 H56 N12 Cl1 O56",
"formula_reduced": "Mo8P9H56N12ClO56",
"formula_anonymous": "AB8C9D12E56F56",
"energy": -918.18840761,
"energy_per_atom": -6.466115546549296,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -849.15440761,
"band_gap": 2.4828,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0810318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.053000Z",
"spacegroup": 81
},
{
"id": "mp-759865",
"created_at": "2022-09-04T14:43:58.569550Z",
"structure_string": "Li3 V3 Cr3 P6 H6 O30\n1.0\n5.203521 0.000000 0.000000\n-1.969107 7.095084 0.000000\n-0.974791 -0.754663 14.463600\nLi V Cr P H O\n3 3 3 6 6 30\ndirect\n0.258690 0.035288 0.186036 Li\n0.407070 0.631154 0.479887 Li\n0.741335 0.963909 0.813409 Li\n0.661176 0.659929 0.165483 V\n0.004457 0.005949 0.500220 V\n0.337763 0.339301 0.833491 V\n0.999840 0.000114 0.999796 Cr\n0.333145 0.333528 0.333070 Cr\n0.664206 0.664124 0.665920 Cr\n0.592637 0.264707 0.041498 P\n0.742625 0.061797 0.291459 P\n0.923515 0.604610 0.374764 P\n0.073392 0.400209 0.624970 P\n0.256390 0.936734 0.708343 P\n0.406933 0.734791 0.957963 P\n0.101106 0.747664 0.094670 H\n0.214656 0.567350 0.230368 H\n0.451414 0.099646 0.436369 H\n0.563458 0.917344 0.571237 H\n0.784101 0.431131 0.768881 H\n0.897890 0.252306 0.905171 H\n0.762118 0.128384 0.058643 O\n0.308887 0.182365 0.071928 O\n0.407339 0.684332 0.062328 O\n0.725367 0.451155 0.101808 O\n0.979802 0.826915 0.108069 O\n0.031109 0.137503 0.264632 O\n0.366674 0.510756 0.229397 O\n0.574631 0.202687 0.274700 O\n0.738340 0.012131 0.395792 O\n0.595145 0.885376 0.227807 O\n0.927873 0.654170 0.270671 O\n0.092279 0.464330 0.392030 O\n0.299049 0.155953 0.437035 O\n0.635470 0.528825 0.402002 O\n0.070830 0.781343 0.438627 O\n0.938940 0.214529 0.564609 O\n0.356289 0.483147 0.593740 O\n0.685032 0.838125 0.557820 O\n0.907283 0.539300 0.609281 O\n0.076266 0.347948 0.728813 O\n0.402181 0.113847 0.771975 O\n0.263973 0.984495 0.603771 O\n0.426647 0.797768 0.726346 O\n0.631722 0.487304 0.769638 O\n0.966705 0.862191 0.733992 O\n0.018951 0.172997 0.891513 O\n0.274504 0.548639 0.897889 O\n0.592150 0.314998 0.937393 O\n0.691096 0.817448 0.928005 O\n0.237852 0.871556 0.941399 O\n",
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"density": 3.1143847900215302,
"density_atomic": 0.09550781738853428,
"volume": 533.9877027293742,
"volume_molar": 6.3053904116575055,
"formula_full": "Li3 V3 Cr3 P6 H6 O30",
"formula_reduced": "LiVCrP2(HO5)2",
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"updated_at": "2021-11-28T01:36:24.580000Z",
"spacegroup": 1
}
]
}