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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12190",
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"results": [
{
"id": "mp-760137",
"created_at": "2022-09-04T14:39:11.620619Z",
"structure_string": "Li28 V4 O16 F8\n1.0\n5.531279 0.086607 -0.086040\n2.705916 2.576379 9.179154\n-0.125408 -10.431632 -0.075177\nLi V O F\n28 4 16 8\ndirect\n0.042230 0.265073 0.937327 Li\n0.542179 0.265465 0.437532 Li\n0.292299 0.765130 0.187164 Li\n0.792001 0.765135 0.687342 Li\n0.245559 0.125433 0.729160 Li\n0.745699 0.125292 0.229368 Li\n0.495679 0.625308 0.978864 Li\n0.995551 0.625666 0.479195 Li\n0.144276 0.461781 0.905177 Li\n0.644187 0.462422 0.405463 Li\n0.394146 0.962159 0.155343 Li\n0.894080 0.962187 0.655285 Li\n0.363003 0.311652 0.652183 Li\n0.863180 0.311245 0.151833 Li\n0.612639 0.811488 0.901640 Li\n0.113305 0.811458 0.401598 Li\n0.620845 0.062642 0.845128 Li\n0.120875 0.062756 0.345262 Li\n0.870886 0.562400 0.095029 Li\n0.370340 0.562998 0.595252 Li\n0.446881 0.249947 0.071685 Li\n0.947276 0.250744 0.571854 Li\n0.696719 0.750298 0.321585 Li\n0.196538 0.750162 0.821532 Li\n0.702861 0.268530 0.809785 Li\n0.202601 0.268510 0.309857 Li\n0.952579 0.768329 0.059588 Li\n0.452190 0.768717 0.559919 Li\n0.508661 0.013150 0.493420 V\n0.758425 0.513222 0.743570 V\n0.008853 0.013008 0.993592 V\n0.258773 0.512813 0.243412 V\n0.012812 0.321115 0.764407 O\n0.512988 0.321264 0.264497 O\n0.262902 0.821224 0.014322 O\n0.762653 0.821408 0.514293 O\n0.146030 0.398677 0.073618 O\n0.645932 0.399348 0.573930 O\n0.396015 0.898995 0.323401 O\n0.895926 0.898952 0.823547 O\n0.583513 0.122251 0.679009 O\n0.083615 0.122162 0.179075 O\n0.833661 0.621649 0.928396 O\n0.333614 0.622232 0.428909 O\n0.766798 0.196403 0.973297 O\n0.266880 0.196652 0.473289 O\n0.016773 0.696293 0.223049 O\n0.516473 0.696570 0.723206 O\n0.288312 0.078048 0.900478 F\n0.788289 0.078334 0.400613 F\n0.538297 0.577923 0.150215 F\n0.038159 0.578257 0.650379 F\n0.461941 0.460825 0.838253 F\n0.962382 0.461111 0.338335 F\n0.712268 0.961097 0.088192 F\n0.212008 0.961296 0.587986 F\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.5213395515502226,
"density_atomic": 0.1054838218818638,
"volume": 530.8870971959756,
"volume_molar": 5.709065762467796,
"formula_full": "Li28 V4 O16 F8",
"formula_reduced": "Li7V(O2F)2",
"formula_anonymous": "AB2C4D7",
"energy": -319.46491548,
"energy_per_atom": -5.704730633571429,
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"energy_uncorrected": -297.97691548,
"band_gap": 2.0031,
"is_gap_direct": true,
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"total_magnetization": 3.9327197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.014000Z",
"spacegroup": 1
},
{
"id": "mp-1178182",
"created_at": "2022-09-04T14:39:11.267009Z",
"structure_string": "Li15 Ni8 P12 O48\n1.0\n8.765397 0.000000 0.000000\n0.027066 8.867719 0.000000\n0.023515 0.020107 12.269264\nLi Ni P O\n15 8 12 48\ndirect\n0.772298 0.282774 0.180347 Li\n0.264082 0.703917 0.182773 Li\n0.428350 0.945709 0.212946 Li\n0.925419 0.553752 0.286699 Li\n0.430024 0.442828 0.286532 Li\n0.257882 0.204908 0.315219 Li\n0.764125 0.805024 0.313035 Li\n0.239658 0.203004 0.683645 Li\n0.739190 0.798106 0.683774 Li\n0.071982 0.443687 0.713234 Li\n0.570961 0.557680 0.713455 Li\n0.570276 0.058548 0.785476 Li\n0.072060 0.944455 0.787347 Li\n0.739899 0.297152 0.816741 Li\n0.239903 0.702225 0.816618 Li\n0.454646 0.249928 0.109670 Ni\n0.953410 0.750953 0.109328 Ni\n0.454257 0.749437 0.391462 Ni\n0.952746 0.244491 0.388465 Ni\n0.546354 0.251027 0.610472 Ni\n0.047179 0.751602 0.609668 Ni\n0.046392 0.251089 0.892911 Ni\n0.546435 0.748553 0.891607 Ni\n0.747650 0.043161 0.997052 P\n0.249802 0.952645 0.999936 P\n0.608416 0.602256 0.149759 P\n0.599990 0.107018 0.351761 P\n0.107059 0.894393 0.349209 P\n0.249416 0.451369 0.500070 P\n0.750421 0.548300 0.500311 P\n0.895315 0.105943 0.649363 P\n0.394612 0.894354 0.649248 P\n0.395261 0.393874 0.851515 P\n0.895118 0.605465 0.851170 P\n0.106273 0.397764 0.150727 P\n0.578897 0.649927 0.033367 O\n0.071833 0.345531 0.036012 O\n0.161584 0.842615 0.076251 O\n0.660855 0.150554 0.076731 O\n0.353767 0.043917 0.075893 O\n0.849209 0.943281 0.066711 O\n0.598792 0.428140 0.168134 O\n0.096277 0.572413 0.163570 O\n0.266928 0.347192 0.190197 O\n0.767072 0.655562 0.191313 O\n0.979103 0.338488 0.229535 O\n0.478946 0.670918 0.224123 O\n0.981935 0.817661 0.279010 O\n0.472358 0.176833 0.277576 O\n0.268042 0.845434 0.308572 O\n0.758810 0.163305 0.315552 O\n0.095222 0.067665 0.339302 O\n0.590981 0.933836 0.330701 O\n0.353958 0.543520 0.423725 O\n0.854539 0.454764 0.425288 O\n0.662614 0.658446 0.423159 O\n0.160458 0.342946 0.423471 O\n0.570408 0.146229 0.470322 O\n0.078181 0.845343 0.467000 O\n0.922430 0.150696 0.532123 O\n0.420643 0.850636 0.531759 O\n0.338535 0.343564 0.577451 O\n0.839465 0.657115 0.576917 O\n0.645159 0.456926 0.576302 O\n0.145019 0.544557 0.575654 O\n0.407781 0.067322 0.670212 O\n0.908843 0.932133 0.668730 O\n0.734792 0.155749 0.690820 O\n0.233747 0.844790 0.690747 O\n0.022931 0.176545 0.723274 O\n0.522203 0.821050 0.722178 O\n0.523139 0.322898 0.777073 O\n0.023145 0.676129 0.776866 O\n0.234471 0.344766 0.810512 O\n0.734671 0.655356 0.809456 O\n0.908532 0.431870 0.831664 O\n0.408619 0.567272 0.831706 O\n0.146254 0.044968 0.923819 O\n0.639276 0.958606 0.919684 O\n0.838257 0.155986 0.924095 O\n0.338401 0.842295 0.923748 O\n0.422593 0.347533 0.968152 O\n0.921967 0.650833 0.967597 O\n",
"nsites": 83,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 2.9832193547116166,
"density_atomic": 0.08703141958718964,
"volume": 953.6785725625112,
"volume_molar": 6.919501932249779,
"formula_full": "Li15 Ni8 P12 O48",
"formula_reduced": "Li15Ni8(PO4)12",
"formula_anonymous": "A8B12C15D48",
"energy": -572.3157911,
"energy_per_atom": -6.895370977108433,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -519.0117911,
"band_gap": 0.0,
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"total_magnetization": 18.8125266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.416000Z",
"spacegroup": 1
},
{
"id": "mp-1076470",
"created_at": "2022-09-04T14:39:11.172712Z",
"structure_string": "Sr8 Ca24 Co28 Cu4 O80\n1.0\n-0.013917 0.004577 10.716213\n11.109646 0.007145 -0.014290\n-5.537832 15.274013 -5.344924\nSr Ca Co Cu O\n8 24 28 4 80\ndirect\n0.306910 0.562150 0.613950 Sr\n0.808896 0.059101 0.612158 Sr\n0.200842 0.441812 0.891156 Sr\n0.062050 0.300083 0.612738 Sr\n0.056772 0.797585 0.611840 Sr\n0.560148 0.303900 0.614616 Sr\n0.448162 0.199991 0.888549 Sr\n0.945880 0.201696 0.383342 Sr\n0.304099 0.064679 0.109046 Ca\n0.309560 0.062768 0.606541 Ca\n0.305148 0.565895 0.109369 Ca\n0.803641 0.066799 0.106113 Ca\n0.806873 0.564095 0.108367 Ca\n0.806329 0.564590 0.608414 Ca\n0.195344 0.437879 0.390207 Ca\n0.200601 0.933515 0.389001 Ca\n0.198061 0.932550 0.896346 Ca\n0.691520 0.435690 0.389109 Ca\n0.699506 0.438069 0.894221 Ca\n0.694034 0.927419 0.388296 Ca\n0.695710 0.937602 0.891660 Ca\n0.055644 0.294163 0.109219 Ca\n0.056175 0.791403 0.108570 Ca\n0.555857 0.293542 0.109460 Ca\n0.553136 0.793606 0.108963 Ca\n0.553910 0.793926 0.607814 Ca\n0.443953 0.208207 0.388363 Ca\n0.443811 0.705284 0.390592 Ca\n0.444446 0.706293 0.892815 Ca\n0.950207 0.208037 0.895208 Ca\n0.944354 0.702792 0.388675 Ca\n0.950564 0.705871 0.894037 Ca\n0.005616 0.000525 0.001054 Co\n0.002609 0.994308 0.494296 Co\n0.007263 0.499957 0.002782 Co\n0.001055 0.500397 0.498108 Co\n0.503937 0.998251 0.999252 Co\n0.504666 0.997622 0.496808 Co\n0.507914 0.501098 0.002469 Co\n0.503808 0.501765 0.499423 Co\n0.256103 0.251571 0.003062 Co\n0.256579 0.249488 0.499964 Co\n0.255171 0.751274 0.002135 Co\n0.254805 0.751382 0.501222 Co\n0.757526 0.251891 0.002327 Co\n0.750289 0.248261 0.494260 Co\n0.756001 0.748809 0.999228 Co\n0.750222 0.744410 0.494710 Co\n0.109292 0.090502 0.245145 Co\n0.110579 0.090748 0.755266 Co\n0.107466 0.595048 0.249875 Co\n0.604447 0.091886 0.248451 Co\n0.611684 0.092368 0.749164 Co\n0.605443 0.591865 0.247147 Co\n0.356560 0.406056 0.249305 Co\n0.357663 0.904265 0.248447 Co\n0.856676 0.408568 0.248366 Co\n0.861433 0.411373 0.753875 Co\n0.856379 0.901446 0.246312 Co\n0.859021 0.900975 0.754212 Co\n0.103518 0.599520 0.752205 Cu\n0.619163 0.607620 0.753730 Cu\n0.368988 0.409161 0.754045 Cu\n0.359607 0.904370 0.750762 Cu\n0.131840 0.122276 0.487108 O\n0.123448 0.119504 0.988267 O\n0.120521 0.623553 0.484870 O\n0.124346 0.626415 0.993905 O\n0.628348 0.123364 0.485559 O\n0.628875 0.122105 0.991863 O\n0.621778 0.618516 0.486176 O\n0.627830 0.627902 0.991272 O\n0.136542 0.382125 0.017791 O\n0.128997 0.379675 0.503391 O\n0.135507 0.882476 0.015850 O\n0.131610 0.885200 0.505529 O\n0.639641 0.385166 0.016195 O\n0.632026 0.383252 0.509656 O\n0.630473 0.885622 0.013632 O\n0.628906 0.873438 0.506129 O\n0.375322 0.114758 0.483830 O\n0.377991 0.113428 0.994737 O\n0.371399 0.616515 0.484285 O\n0.381008 0.623039 0.994321 O\n0.878666 0.109020 0.487624 O\n0.872569 0.115527 0.987204 O\n0.866792 0.610680 0.484020 O\n0.874023 0.614012 0.986702 O\n0.389933 0.384585 0.018403 O\n0.377094 0.374371 0.502814 O\n0.384455 0.881025 0.015369 O\n0.379700 0.881531 0.508127 O\n0.885569 0.381452 0.012600 O\n0.874677 0.373562 0.504891 O\n0.882119 0.879642 0.013577 O\n0.879298 0.873059 0.503818 O\n0.085754 0.099611 0.137271 O\n0.086521 0.088628 0.643935 O\n0.085661 0.602212 0.142157 O\n0.065349 0.584373 0.632212 O\n0.587005 0.101929 0.142681 O\n0.582660 0.092916 0.638897 O\n0.585405 0.599682 0.139111 O\n0.578870 0.594017 0.635223 O\n0.443850 0.401075 0.357759 O\n0.453023 0.413386 0.870287 O\n0.443552 0.895739 0.355574 O\n0.446153 0.906780 0.866401 O\n0.943257 0.409881 0.357832 O\n0.947102 0.397658 0.859671 O\n0.945219 0.899017 0.356136 O\n0.944724 0.897889 0.863853 O\n0.335200 0.288828 0.142359 O\n0.329121 0.293045 0.635882 O\n0.335675 0.790039 0.140187 O\n0.327791 0.797132 0.633078 O\n0.839579 0.290476 0.142539 O\n0.833814 0.298024 0.643604 O\n0.833435 0.785740 0.138913 O\n0.830059 0.791078 0.643964 O\n0.191190 0.208140 0.352065 O\n0.193255 0.207307 0.862312 O\n0.192691 0.709286 0.358336 O\n0.194486 0.710734 0.869363 O\n0.687786 0.210508 0.357158 O\n0.691213 0.210233 0.856778 O\n0.692574 0.706191 0.354261 O\n0.700885 0.718119 0.867642 O\n0.423418 0.067759 0.249178 O\n0.433333 0.059558 0.741889 O\n0.424713 0.568262 0.249112 O\n0.445911 0.572386 0.759624 O\n0.926294 0.056776 0.239156 O\n0.933024 0.064152 0.759168 O\n0.924405 0.570555 0.248088 O\n0.922522 0.572409 0.752161 O\n0.174918 0.432445 0.249290 O\n0.194510 0.449490 0.750860 O\n0.176191 0.929376 0.247993 O\n0.183188 0.935287 0.761322 O\n0.674417 0.430794 0.248271 O\n0.694025 0.445308 0.759997 O\n0.676170 0.931335 0.249784 O\n0.677166 0.929865 0.750986 O\n",
"nsites": 144,
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"elements": [
"Sr",
"Ca",
"Co",
"Cu",
"O"
],
"chemical_system": "Ca-Co-Cu-O-Sr",
"density": 4.424564200242344,
"density_atomic": 0.07915933617642376,
"volume": 1819.1158106614835,
"volume_molar": 7.607619076767334,
"formula_full": "Sr8 Ca24 Co28 Cu4 O80",
"formula_reduced": "Sr2Ca6Co7CuO20",
"formula_anonymous": "AB2C6D7E20",
"energy": -977.70066192,
"energy_per_atom": -6.78958793,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:37.089000Z",
"spacegroup": 1
},
{
"id": "mp-1176037",
"created_at": "2022-09-04T14:39:11.217636Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.015872 0.000000 0.000000\n-0.537682 5.958739 0.000000\n-0.273937 -0.199998 16.048060\nLi Mn Co O\n9 2 5 16\ndirect\n0.999799 0.500194 0.000079 Li\n0.499971 0.750118 0.124741 Li\n0.998804 0.999997 0.250699 Li\n0.500387 0.251920 0.873899 Li\n0.000981 0.000149 0.749470 Li\n0.502034 0.755103 0.623342 Li\n0.000664 0.499533 0.499812 Li\n0.497265 0.243591 0.378067 Li\n0.000172 0.000880 0.500402 Li\n0.999749 0.999383 0.999365 Mn\n0.998853 0.499947 0.251501 Mn\n0.500257 0.250403 0.125179 Co\n0.495459 0.762427 0.380716 Co\n0.502063 0.240353 0.620554 Co\n0.998407 0.500778 0.748427 Co\n0.501505 0.746776 0.873740 Co\n0.522100 0.755640 0.993851 O\n0.023472 0.011607 0.121463 O\n0.521453 0.257459 0.244414 O\n0.023731 0.510450 0.868093 O\n0.523037 0.264226 0.740255 O\n0.021836 0.018788 0.625587 O\n0.505007 0.746609 0.488626 O\n0.023265 0.512092 0.371916 O\n0.476521 0.243725 0.005331 O\n0.976301 0.489440 0.129323 O\n0.479624 0.742813 0.259672 O\n0.975859 0.987761 0.877511 O\n0.477387 0.734713 0.755387 O\n0.977199 0.486444 0.630737 O\n0.496611 0.254664 0.512461 O\n0.980228 0.982018 0.375379 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.16292385258928,
"density_atomic": 0.11095839612271965,
"volume": 288.39638205123384,
"volume_molar": 5.427386273085212,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -206.97503417,
"energy_per_atom": -6.4679698178125,
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"updated_at": "2021-11-28T01:34:37.272000Z",
"spacegroup": 1
},
{
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"structure_string": "Ca1 Mn9 Cd1 O10\n1.0\n-4.653368 2.333931 2.615548\n1.313875 -5.770539 6.998300\n4.700706 3.178594 1.856701\nCa Mn Cd O\n1 9 1 10\ndirect\n0.614660 0.298359 0.333989 Ca\n0.463723 0.618146 0.228758 Mn\n0.017099 0.040863 0.880549 Mn\n0.473085 0.839251 0.615916 Mn\n0.930228 0.670956 0.120112 Mn\n0.129955 0.142758 0.380851 Mn\n0.505730 0.166513 0.833114 Mn\n0.404279 0.509554 0.712898 Mn\n0.908888 0.397245 0.840426 Mn\n0.961525 0.707648 0.633091 Mn\n0.612648 0.931149 0.209064 Cd\n0.809178 0.129261 0.134968 O\n0.679635 0.491565 0.045588 O\n0.815423 0.203739 0.677535 O\n0.695575 0.538475 0.544152 O\n0.325157 0.132540 0.121149 O\n0.212803 0.676950 0.443805 O\n0.816120 0.831994 0.849716 O\n0.256238 0.992766 0.665194 O\n0.324159 0.311018 0.568084 O\n0.162939 0.572375 0.934850 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Cd",
"O"
],
"chemical_system": "Ca-Cd-Mn-O",
"density": 4.374182608596722,
"density_atomic": 0.06855414487146426,
"volume": 306.3272109859148,
"volume_molar": 8.784502777025702,
"formula_full": "Ca1 Mn9 Cd1 O10",
"formula_reduced": "CaMn9CdO10",
"formula_anonymous": "ABC9D10",
"energy": -172.25494847000002,
"energy_per_atom": -8.202616593809525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.37294847,
"band_gap": 0.6557,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.0129708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.641000Z",
"spacegroup": 1
},
{
"id": "mp-676935",
"created_at": "2022-09-04T14:39:11.584345Z",
"structure_string": "Cr10 Sb3 Te7\n1.0\n7.167046 0.000000 0.000000\n-3.570563 -6.222751 0.000000\n-2.372728 1.349558 -9.742835\nCr Sb Te\n10 3 7\ndirect\n0.004853 0.005045 0.001409 Cr\n0.807653 0.400456 0.803037 Cr\n0.594704 0.794193 0.602024 Cr\n0.400440 0.198431 0.897717 Cr\n0.420203 0.211019 0.397280 Cr\n0.200941 0.603598 0.701950 Cr\n0.205619 0.605909 0.200232 Cr\n0.003006 0.001707 0.501629 Cr\n0.797702 0.397257 0.307605 Cr\n0.603443 0.801019 0.103623 Cr\n0.205268 0.769837 0.950636 Sb\n0.800560 0.570431 0.555967 Sb\n0.598637 0.963049 0.353342 Sb\n0.603500 0.634689 0.852787 Te\n0.000329 0.165153 0.749777 Te\n0.412377 0.039918 0.647305 Te\n0.204874 0.436598 0.449471 Te\n0.002699 0.830834 0.253436 Te\n0.393510 0.366566 0.152005 Te\n0.798041 0.234245 0.054002 Te\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cr",
"Sb",
"Te"
],
"chemical_system": "Cr-Sb-Te",
"density": 6.796426063299261,
"density_atomic": 0.04602799241837657,
"volume": 434.51819097838916,
"volume_molar": 13.08364854426211,
"formula_full": "Cr10 Sb3 Te7",
"formula_reduced": "Cr10Sb3Te7",
"formula_anonymous": "A3B7C10",
"energy": -133.90966434,
"energy_per_atom": -6.6954832170000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.37966434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 33.2467003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.986000Z",
"spacegroup": 1
},
{
"id": "mp-1638816",
"created_at": "2022-09-04T14:40:11.734717Z",
"structure_string": "Zn2 Co2 P4 O14\n1.0\n0.793953 5.850438 2.535623\n0.552287 -0.387334 7.029539\n6.209270 -0.155444 0.878292\nZn Co P O\n2 2 4 14\ndirect\n0.284786 0.197786 0.934197 Zn\n0.716988 0.798654 0.068630 Zn\n0.906742 0.209216 0.333650 Co\n0.093184 0.802020 0.670081 Co\n0.207959 0.770344 0.166102 P\n0.789878 0.230959 0.837291 P\n0.646205 0.674717 0.601594 P\n0.354736 0.323325 0.397074 P\n0.630254 0.451868 0.738684 O\n0.363729 0.550350 0.269473 O\n0.066124 0.745022 0.003305 O\n0.934587 0.253169 0.997906 O\n0.246110 0.354452 0.627767 O\n0.757624 0.632224 0.373558 O\n0.597152 0.191363 0.382504 O\n0.404756 0.811413 0.604835 O\n0.627606 0.115900 0.950115 O\n0.374529 0.880068 0.049497 O\n0.943046 0.125652 0.653835 O\n0.053452 0.880629 0.344580 O\n0.210333 0.268911 0.258149 O\n0.790220 0.731956 0.737172 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P-Zn",
"density": 3.824795728637816,
"density_atomic": 0.0849414486342192,
"volume": 259.0019402039861,
"volume_molar": 7.089755186461398,
"formula_full": "Zn2 Co2 P4 O14",
"formula_reduced": "ZnCoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -158.62645383,
"energy_per_atom": -7.210293355909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.73245383,
"band_gap": 3.0637000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.804000Z",
"spacegroup": 1
}
]
}