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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=12117",
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"results": [
{
"id": "mp-1234116",
"created_at": "2022-09-04T14:42:50.769055Z",
"structure_string": "K2 Mg1 Zn4 P4 H2 O16\n1.0\n-5.313700 0.066238 -1.075635\n3.076395 -8.548589 -1.122359\n0.032274 0.019588 9.612086\nK Mg Zn P H O\n2 1 4 4 2 16\ndirect\n0.405136 0.681687 0.689179 K\n0.594864 0.318313 0.310821 K\n0.500000 0.000000 0.500000 Mg\n0.216784 0.616233 0.229943 Zn\n0.783216 0.383767 0.770057 Zn\n0.689851 0.888089 0.111414 Zn\n0.310149 0.111911 0.888586 Zn\n0.086313 0.757974 0.948262 P\n0.913687 0.242026 0.051738 P\n0.842468 0.743998 0.390126 P\n0.157532 0.256002 0.609874 P\n0.969582 0.913779 0.600521 H\n0.030418 0.086221 0.399479 H\n0.976872 0.400323 0.152971 O\n0.023128 0.599677 0.847029 O\n0.291248 0.766111 0.096702 O\n0.708752 0.233889 0.903298 O\n0.752485 0.110983 0.120301 O\n0.247515 0.889017 0.879699 O\n0.826642 0.777288 0.975085 O\n0.173357 0.222712 0.024915 O\n0.570814 0.610477 0.326298 O\n0.429186 0.389523 0.673702 O\n0.872349 0.887653 0.315795 O\n0.127651 0.112347 0.684205 O\n0.074461 0.680515 0.392763 O\n0.925539 0.319485 0.607237 O\n0.851258 0.801609 0.556764 O\n0.148742 0.198391 0.443236 O\n",
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"Mg",
"Zn",
"P",
"H",
"O"
],
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"density_atomic": 0.06679164802610581,
"volume": 434.18602260967157,
"volume_molar": 9.01630808337926,
"formula_full": "K2 Mg1 Zn4 P4 H2 O16",
"formula_reduced": "K2MgZn4P4(HO8)2",
"formula_anonymous": "AB2C2D4E4F16",
"energy": -180.81990608,
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"band_gap": 0.9413999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.126000Z",
"spacegroup": 2
},
{
"id": "mp-1232383",
"created_at": "2022-09-04T14:42:53.191020Z",
"structure_string": "Hf2 Ta2 Ti2 B8 Mo2 C8\n1.0\n-5.733080 0.000000 0.000000\n2.866139 4.973222 0.000000\n-0.001762 -0.003658 -7.445026\nHf Ta Ti B Mo C\n2 2 2 8 2 8\ndirect\n0.500000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.335702 0.169837 0.748331 B\n0.332752 0.664674 0.747685 B\n0.830372 0.663262 0.752282 B\n0.833808 0.169039 0.751220 B\n0.166192 0.830961 0.248780 B\n0.169628 0.336738 0.247718 B\n0.667248 0.335326 0.252315 B\n0.664298 0.830163 0.251669 B\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.333482 0.167426 0.250926 C\n0.332359 0.666115 0.250290 C\n0.833144 0.666200 0.248531 C\n0.834727 0.168541 0.249475 C\n0.165273 0.831459 0.750525 C\n0.166856 0.333800 0.751469 C\n0.667641 0.333885 0.749710 C\n0.666518 0.832574 0.749074 C\n",
"nsites": 24,
"nelements": 6,
"elements": [
"Hf",
"Ta",
"Ti",
"B",
"Mo",
"C"
],
"chemical_system": "B-C-Hf-Mo-Ta-Ti",
"density": 9.30169355234699,
"density_atomic": 0.11306265374718327,
"volume": 212.27168480996238,
"volume_molar": 5.326374855366448,
"formula_full": "Hf2 Ta2 Ti2 B8 Mo2 C8",
"formula_reduced": "HfTaTiB4MoC4",
"formula_anonymous": "ABCDE4F4",
"energy": -209.40675651,
"energy_per_atom": -8.72528152125,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -209.40675651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.273000Z",
"spacegroup": 2
},
{
"id": "mp-773893",
"created_at": "2022-09-04T14:42:45.874740Z",
"structure_string": "Sn2 Sb4 H48 C16 S4 Cl4\n1.0\n10.293947 0.000000 0.000000\n0.000000 9.484266 0.000000\n0.000000 7.836761 10.436388\nSn Sb H C S Cl\n2 4 48 16 4 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.652005 0.744028 0.054537 Sb\n0.152005 0.255972 0.445463 Sb\n0.847995 0.744028 0.554537 Sb\n0.347995 0.255972 0.945463 Sb\n0.702048 0.702394 0.273717 H\n0.197369 0.596194 0.344570 H\n0.265029 0.453675 0.504355 H\n0.448281 0.177532 0.794752 H\n0.553530 0.586952 0.290361 H\n0.349147 0.483012 0.371299 H\n0.915484 0.365337 0.455977 H\n0.982027 0.223560 0.616165 H\n0.539046 0.266229 0.518310 H\n0.415484 0.634663 0.044023 H\n0.413097 0.869345 0.959177 H\n0.184968 0.863747 0.935402 H\n0.051840 0.942200 0.824208 H\n0.551840 0.057800 0.675792 H\n0.849147 0.516988 0.128701 H\n0.684968 0.136253 0.564598 H\n0.913097 0.130655 0.540823 H\n0.053530 0.413048 0.209639 H\n0.039046 0.733771 0.981690 H\n0.765029 0.546325 0.995645 H\n0.697369 0.403806 0.155430 H\n0.482027 0.776440 0.883835 H\n0.202048 0.297606 0.226283 H\n0.051719 0.177532 0.294752 H\n0.948281 0.822468 0.705248 H\n0.797952 0.702394 0.773717 H\n0.517973 0.223560 0.116165 H\n0.302631 0.596194 0.844570 H\n0.234971 0.453675 0.004355 H\n0.960954 0.266229 0.018310 H\n0.946470 0.586952 0.790361 H\n0.086903 0.869345 0.459177 H\n0.315032 0.863747 0.435402 H\n0.150853 0.483012 0.871299 H\n0.448160 0.942200 0.324208 H\n0.948160 0.057800 0.175792 H\n0.815032 0.136253 0.064598 H\n0.586903 0.130655 0.040823 H\n0.584516 0.365337 0.955977 H\n0.460954 0.733771 0.481690 H\n0.017973 0.776440 0.383835 H\n0.084516 0.634663 0.544023 H\n0.650853 0.516988 0.628701 H\n0.446470 0.413048 0.709639 H\n0.551719 0.822468 0.205248 H\n0.734971 0.546325 0.495645 H\n0.802631 0.403806 0.655430 H\n0.297952 0.297606 0.726283 H\n0.609510 0.709349 0.229541 C\n0.254402 0.477038 0.411788 C\n0.966612 0.241453 0.525754 C\n0.079239 0.867246 0.925307 C\n0.579239 0.132754 0.574693 C\n0.754402 0.522962 0.088212 C\n0.466612 0.758547 0.974246 C\n0.109510 0.290651 0.270459 C\n0.890490 0.709349 0.729541 C\n0.533388 0.241453 0.025754 C\n0.245598 0.477038 0.911788 C\n0.420761 0.867246 0.425307 C\n0.920761 0.132754 0.074693 C\n0.033388 0.758547 0.474246 C\n0.745598 0.522962 0.588212 C\n0.390490 0.290651 0.770459 C\n0.756011 0.010401 0.902247 S\n0.256011 0.989599 0.597753 S\n0.743989 0.010401 0.402247 S\n0.243989 0.989599 0.097753 S\n0.954519 0.691463 0.221332 Cl\n0.454519 0.308537 0.278668 Cl\n0.545481 0.691463 0.721332 Cl\n0.045481 0.308537 0.778668 Cl\n",
"nsites": 78,
"nelements": 6,
"elements": [
"Sn",
"Sb",
"H",
"C",
"S",
"Cl"
],
"chemical_system": "C-Cl-H-S-Sb-Sn",
"density": 2.012842691669922,
"density_atomic": 0.07655238612782947,
"volume": 1018.910107775782,
"volume_molar": 7.866692424118627,
"formula_full": "Sn2 Sb4 H48 C16 S4 Cl4",
"formula_reduced": "SnSb2H24C8(SCl)2",
"formula_anonymous": "AB2C2D2E8F24",
"energy": -376.45068063,
"energy_per_atom": -4.826290777307692,
"energy_above_hull": null,
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"energy_uncorrected": -371.98268063,
"band_gap": 3.0912,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.454000Z",
"spacegroup": 14
},
{
"id": "mp-1201258",
"created_at": "2022-09-04T14:42:53.790319Z",
"structure_string": "Na4 Ca2 P4 H32 S12 O16\n1.0\n-7.358109 -4.706918 0.000000\n7.358109 -4.706918 0.000000\n1.254504 4.706918 12.937930\nNa Ca P H S O\n4 2 4 32 12 16\ndirect\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.424921 0.174921 0.250000 Na\n0.575079 0.825079 0.750000 Na\n0.000653 0.750653 0.250000 Ca\n0.999347 0.249347 0.750000 Ca\n0.603565 0.958970 0.041789 P\n0.417181 0.561776 0.458211 P\n0.396435 0.041030 0.958211 P\n0.582819 0.438224 0.541789 P\n0.627790 0.705063 0.201295 H\n0.003767 0.426495 0.298705 H\n0.372210 0.294937 0.798705 H\n0.996233 0.573505 0.701295 H\n0.657251 0.634272 0.298592 H\n0.835680 0.358659 0.201408 H\n0.342749 0.365728 0.701408 H\n0.164320 0.641341 0.798592 H\n0.026608 0.025235 0.126479 H\n0.398756 0.900129 0.373521 H\n0.973392 0.974765 0.873521 H\n0.601244 0.099871 0.626479 H\n0.116866 0.926430 0.080774 H\n0.345655 0.036092 0.419226 H\n0.883134 0.073570 0.919226 H\n0.654345 0.963908 0.580774 H\n0.705408 0.478022 0.058262 H\n0.919760 0.647146 0.441738 H\n0.294592 0.521978 0.941738 H\n0.080240 0.352854 0.558262 H\n0.755930 0.653075 0.026514 H\n0.126561 0.729416 0.473486 H\n0.244070 0.346925 0.973486 H\n0.873439 0.270584 0.526514 H\n0.220897 0.572966 0.218212 H\n0.854754 0.002685 0.281788 H\n0.779103 0.427034 0.781788 H\n0.145246 0.997315 0.718212 H\n0.304626 0.735665 0.172936 H\n0.062729 0.131690 0.327064 H\n0.695374 0.264335 0.827064 H\n0.937271 0.868310 0.672936 H\n0.548969 0.734810 0.947378 S\n0.287432 0.601591 0.552622 S\n0.451031 0.265190 0.052622 S\n0.712568 0.398409 0.447378 S\n0.851954 0.156493 0.063922 S\n0.592572 0.788033 0.436078 S\n0.148046 0.843507 0.936078 S\n0.407428 0.211967 0.563922 S\n0.570599 0.936513 0.182075 S\n0.254438 0.388524 0.317925 S\n0.429401 0.063487 0.817925 S\n0.745562 0.611476 0.682075 S\n0.684933 0.638001 0.234058 O\n0.903943 0.450875 0.265942 O\n0.315067 0.361999 0.765942 O\n0.096057 0.549125 0.734058 O\n0.101632 0.966397 0.146482 O\n0.319915 0.955150 0.353518 O\n0.898368 0.033603 0.853518 O\n0.680085 0.044850 0.646482 O\n0.812182 0.586635 0.061593 O\n0.025042 0.750589 0.438407 O\n0.187818 0.413365 0.938407 O\n0.974958 0.249411 0.561593 O\n0.189132 0.648270 0.176932 O\n0.971338 0.012200 0.323068 O\n0.810868 0.351730 0.823068 O\n0.028662 0.987800 0.676932 O\n",
"nsites": 70,
"nelements": 6,
"elements": [
"Na",
"Ca",
"P",
"H",
"S",
"O"
],
"chemical_system": "Ca-H-Na-O-P-S",
"density": 1.7955220449274432,
"density_atomic": 0.07810887771385275,
"volume": 896.1849414408546,
"volume_molar": 7.7099312347845474,
"formula_full": "Na4 Ca2 P4 H32 S12 O16",
"formula_reduced": "Na2CaP2H16(S3O4)2",
"formula_anonymous": "AB2C2D6E8F16",
"energy": -356.54277965000006,
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"updated_at": "2021-11-28T01:35:58.753000Z",
"spacegroup": 15
},
{
"id": "mp-1197280",
"created_at": "2022-09-04T14:42:59.053558Z",
"structure_string": "K2 Ga4 Ni2 P6 H8 O28\n1.0\n6.415493 5.142095 -2.018579\n6.415493 -5.142095 -2.018579\n-0.009005 0.000000 -8.896310\nK Ga Ni P H O\n2 4 2 6 8 28\ndirect\n0.366165 0.633835 0.250000 K\n0.633835 0.366165 0.750000 K\n0.097778 0.247280 0.430638 Ga\n0.752720 0.902222 0.069362 Ga\n0.902222 0.752720 0.569362 Ga\n0.247280 0.097778 0.930638 Ga\n0.727808 0.272192 0.250000 Ni\n0.272192 0.727808 0.750000 Ni\n0.998191 0.001809 0.250000 P\n0.001809 0.998191 0.750000 P\n0.835938 0.580202 0.320123 P\n0.419798 0.164062 0.179877 P\n0.164062 0.419798 0.679877 P\n0.580202 0.835938 0.820123 P\n0.913386 0.363158 0.952425 H\n0.636842 0.086614 0.547575 H\n0.086614 0.636842 0.047575 H\n0.363158 0.913386 0.452425 H\n0.771485 0.510424 0.014782 H\n0.489576 0.228515 0.485218 H\n0.228515 0.489576 0.985218 H\n0.510424 0.771485 0.514782 H\n0.968603 0.149434 0.615999 O\n0.850566 0.031397 0.884001 O\n0.031397 0.850566 0.384001 O\n0.149434 0.968603 0.115999 O\n0.701340 0.495567 0.309980 O\n0.504433 0.298660 0.190020 O\n0.298660 0.504433 0.690020 O\n0.495567 0.701340 0.809980 O\n0.972573 0.171139 0.302569 O\n0.828861 0.027427 0.197431 O\n0.027427 0.828861 0.697431 O\n0.171139 0.972573 0.802569 O\n0.798668 0.390148 0.013847 O\n0.609852 0.201332 0.486153 O\n0.201332 0.609852 0.986153 O\n0.390148 0.798668 0.513847 O\n0.297003 0.116075 0.338486 O\n0.883925 0.702997 0.161514 O\n0.702997 0.883925 0.661514 O\n0.116075 0.297003 0.838486 O\n0.232297 0.323774 0.540627 O\n0.676226 0.767703 0.959373 O\n0.767703 0.676226 0.459373 O\n0.323774 0.232297 0.040627 O\n0.008805 0.463889 0.338199 O\n0.536111 0.991195 0.161801 O\n0.991195 0.536111 0.661801 O\n0.463889 0.008805 0.838199 O\n",
"nsites": 50,
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"elements": [
"K",
"Ga",
"Ni",
"P",
"H",
"O"
],
"chemical_system": "Ga-H-K-Ni-O-P",
"density": 3.1572346495960746,
"density_atomic": 0.08515725916019669,
"volume": 587.1490051827604,
"volume_molar": 7.071787912609105,
"formula_full": "K2 Ga4 Ni2 P6 H8 O28",
"formula_reduced": "KGa2NiP3(H2O7)2",
"formula_anonymous": "ABC2D3E4F14",
"energy": -334.59194384,
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"updated_at": "2021-11-28T01:36:06.470000Z",
"spacegroup": 15
},
{
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"structure_string": "K1 Cr1 H18 N6 Cl4 O8\n1.0\n9.501307 -3.573504 0.000000\n9.501307 3.573504 0.000000\n8.157288 0.000000 6.041806\nK Cr H N Cl O\n1 1 18 6 4 8\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.760597 0.366421 0.042402 H\n0.239403 0.633579 0.957598 H\n0.957598 0.239403 0.633579 H\n0.633579 0.957598 0.239403 H\n0.005671 0.362730 0.841709 H\n0.841709 0.005671 0.362730 H\n0.362730 0.841709 0.005671 H\n0.994329 0.637270 0.158291 H\n0.158291 0.994329 0.637270 H\n0.637270 0.158291 0.994329 H\n0.827140 0.435161 0.797219 H\n0.366421 0.042402 0.760597 H\n0.435161 0.797219 0.827140 H\n0.172860 0.564839 0.202781 H\n0.202781 0.172860 0.564839 H\n0.564839 0.202781 0.172860 H\n0.042402 0.760597 0.366421 H\n0.797219 0.827140 0.435161 H\n0.326250 0.910191 0.889243 N\n0.089809 0.110757 0.673750 N\n0.910191 0.889243 0.326250 N\n0.889243 0.326250 0.910191 N\n0.110757 0.673750 0.089809 N\n0.673750 0.089809 0.110757 N\n0.814987 0.814987 0.814987 Cl\n0.185013 0.185013 0.185013 Cl\n0.377436 0.377436 0.377436 Cl\n0.622564 0.622564 0.622564 Cl\n0.867313 0.867313 0.867313 O\n0.980807 0.327767 0.300395 O\n0.132687 0.132687 0.132687 O\n0.327767 0.300395 0.980807 O\n0.300395 0.980807 0.327767 O\n0.019193 0.672233 0.699605 O\n0.672233 0.699605 0.019193 O\n0.699605 0.019193 0.672233 O\n",
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],
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"density": 1.8742829449588223,
"density_atomic": 0.09262094362676855,
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"formula_full": "K1 Cr1 H18 N6 Cl4 O8",
"formula_reduced": "KCrH18N6(ClO2)4",
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"updated_at": "2021-11-28T01:35:56.393000Z",
"spacegroup": 148
},
{
"id": "mp-1199816",
"created_at": "2022-09-04T14:44:14.674451Z",
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H\n0.566865 0.857792 0.174873 H\n0.066865 0.857792 0.325127 H\n0.566865 0.642208 0.674873 H\n0.933135 0.357792 0.174873 H\n0.433135 0.142208 0.825127 H\n0.965225 0.051618 0.558711 H\n0.465225 0.448382 0.441289 H\n0.034775 0.551618 0.941289 H\n0.534775 0.948382 0.058711 H\n0.034775 0.948382 0.441289 H\n0.534775 0.551618 0.558711 H\n0.965225 0.448382 0.058711 H\n0.465225 0.051618 0.941289 H\n0.842795 0.147047 0.561646 H\n0.342795 0.352953 0.438354 H\n0.157205 0.647047 0.938354 H\n0.657205 0.852953 0.061646 H\n0.157205 0.852953 0.438354 H\n0.657205 0.647047 0.561646 H\n0.842795 0.352953 0.061646 H\n0.342795 0.147047 0.938354 H\n0.153317 0.454690 0.521041 H\n0.653317 0.045310 0.478959 H\n0.846683 0.954690 0.978959 H\n0.346683 0.545310 0.021041 H\n0.846683 0.545310 0.478959 H\n0.346683 0.954690 0.521041 H\n0.153317 0.045310 0.021041 H\n0.653317 0.454690 0.978959 H\n0.095590 0.501132 0.597857 H\n0.595590 0.998868 0.402143 H\n0.904410 0.001132 0.902143 H\n0.404410 0.498868 0.097857 H\n0.904410 0.498868 0.402143 H\n0.404410 0.001132 0.597857 H\n0.095590 0.998868 0.097857 H\n0.595590 0.501132 0.902143 H\n0.231905 0.413445 0.594618 H\n0.731905 0.086555 0.405382 H\n0.768095 0.913445 0.905382 H\n0.268095 0.586555 0.094618 H\n0.768095 0.586555 0.405382 H\n0.268095 0.913445 0.594618 H\n0.231905 0.086555 0.094618 H\n0.731905 0.413445 0.905382 H\n0.112560 0.399257 0.707308 H\n0.612560 0.100743 0.292692 H\n0.887440 0.899257 0.792692 H\n0.387440 0.600743 0.207308 H\n0.887440 0.600743 0.292692 H\n0.387440 0.899257 0.707308 H\n0.112560 0.100743 0.207308 H\n0.612560 0.399257 0.792692 H\n0.154339 0.291452 0.797284 H\n0.654339 0.208548 0.202716 H\n0.845661 0.791452 0.702716 H\n0.345661 0.708548 0.297284 H\n0.845661 0.708548 0.202716 H\n0.345661 0.791452 0.797284 H\n0.154339 0.208548 0.297284 H\n0.654339 0.291452 0.702716 H\n0.009005 0.216509 0.778026 H\n0.509005 0.283491 0.221974 H\n0.990995 0.716509 0.721974 H\n0.490995 0.783491 0.278026 H\n0.990995 0.783491 0.221974 H\n0.490995 0.716509 0.778026 H\n0.009005 0.283491 0.278026 H\n0.509005 0.216509 0.721974 H\n0.155393 0.170369 0.746122 H\n0.655393 0.329631 0.253878 H\n0.844607 0.670369 0.753878 H\n0.344607 0.829631 0.246122 H\n0.844607 0.829631 0.253878 H\n0.344607 0.670369 0.746122 H\n0.155393 0.329631 0.246122 H\n0.655393 0.170369 0.753878 H\n0.043662 0.276355 0.634287 C\n0.543662 0.223645 0.365713 C\n0.956338 0.776355 0.865713 C\n0.456338 0.723645 0.134287 C\n0.956338 0.723645 0.365713 C\n0.456338 0.776355 0.634287 C\n0.043662 0.223645 0.134287 C\n0.543662 0.276355 0.865713 C\n0.984985 0.172875 0.631788 N\n0.484985 0.327125 0.368212 N\n0.015015 0.672875 0.868212 N\n0.515015 0.827125 0.131788 N\n0.015015 0.827125 0.368212 N\n0.515015 0.672875 0.631788 N\n0.984985 0.327125 0.131788 N\n0.484985 0.172875 0.868212 N\n0.941208 0.137144 0.564147 N\n0.441208 0.362856 0.435853 N\n0.058792 0.637144 0.935853 N\n0.558792 0.862856 0.064147 N\n0.058792 0.862856 0.435853 N\n0.558792 0.637144 0.564147 N\n0.941208 0.362856 0.064147 N\n0.441208 0.137144 0.935853 N\n0.057521 0.332329 0.573539 N\n0.557521 0.167671 0.426461 N\n0.942479 0.832329 0.926461 N\n0.442479 0.667671 0.073539 N\n0.942479 0.667671 0.426461 N\n0.442479 0.832329 0.573539 N\n0.057521 0.167671 0.073539 N\n0.557521 0.332329 0.926461 N\n0.139134 0.430084 0.574011 N\n0.639134 0.069916 0.425989 N\n0.860866 0.930084 0.925989 N\n0.360866 0.569916 0.074011 N\n0.860866 0.569916 0.425989 N\n0.360866 0.930084 0.574011 N\n0.139134 0.069916 0.074011 N\n0.639134 0.430084 0.925989 N\n0.088013 0.314651 0.697801 N\n0.588013 0.185349 0.302199 N\n0.911987 0.814651 0.802199 N\n0.411987 0.685349 0.197801 N\n0.911987 0.685349 0.302199 N\n0.411987 0.814651 0.697801 N\n0.088013 0.185349 0.197801 N\n0.588013 0.314651 0.802199 N\n0.097278 0.241958 0.757767 N\n0.597278 0.258042 0.242233 N\n0.902722 0.741958 0.742233 N\n0.402722 0.758042 0.257767 N\n0.902722 0.758042 0.242233 N\n0.402722 0.741958 0.757767 N\n0.097278 0.258042 0.257767 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"elements": [
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],
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"formula_full": "Cu8 H96 C8 N48 Cl32 O8",
"formula_reduced": "CuH12CN6Cl4O",
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"energy": -1043.98961775,
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"updated_at": "2021-11-28T01:36:42.337000Z",
"spacegroup": 61
}
]
}