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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=91",
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"results": [
{
"id": "jvasp-122115",
"created_at": "2022-09-04T14:38:55.468256Z",
"updated_at": "2022-09-04T14:38:55.468280Z",
"structure_string": "Li2 Mn4 Te2 O12\n1.0\n4.940280 0.183509 -0.139496\n0.070284 5.155005 -0.011589\n0.090950 -0.018758 8.557564\nLi Mn Te O\n2 4 2 12\ndirect\n0.515120 0.498562 0.909154 Li\n0.566488 0.902871 0.198509 Li\n0.505179 0.989278 0.673541 Mn\n0.021724 -0.002899 0.368024 Mn\n0.015539 0.496323 0.779573 Mn\n0.005039 0.503808 0.185299 Mn\n0.514866 0.481601 0.479611 Te\n0.014219 0.005003 0.987392 Te\n0.254796 0.822408 0.823078 O\n0.813059 0.185284 0.191580 O\n0.314437 0.320845 0.660910 O\n0.778723 0.687913 0.028554 O\n0.753742 0.172736 0.835123 O\n0.218849 0.291373 0.328963 O\n0.275097 0.856578 0.515887 O\n0.708419 0.667598 0.667721 O\n0.811636 0.697346 0.338910 O\n0.214203 0.800124 0.205225 O\n0.193365 0.364366 0.000680 O\n0.755096 0.146469 0.516755 O\n",
"nsites": 20,
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"elements": [
"Li",
"Mn",
"Te",
"O"
],
"chemical_system": "Li-Mn-O-Te",
"density": 5.188559831696983,
"density_atomic": 0.09178906998943893,
"volume": 217.8908665519888,
"volume_molar": 6.560847343472262,
"formula_full": "Li2 Mn4 Te2 O12",
"formula_reduced": "LiMn2TeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": null,
"spacegroup": 1
},
{
"id": "jvasp-52575",
"created_at": "2022-09-04T14:35:40.985622Z",
"updated_at": "2022-09-04T14:35:40.985645Z",
"structure_string": "Ca2 Cu1 B2 H12 O12\n1.0\n-5.666363 -0.029947 0.002197\n-0.048046 -5.675248 0.053410\n2.687787 0.930102 7.548789\nCa Cu B H O\n2 1 2 12 12\ndirect\n0.777064 0.502947 0.760496 Ca\n0.222936 0.497054 0.239504 Ca\n0.000000 0.000000 0.000000 Cu\n0.249112 0.280522 0.590742 B\n0.750888 0.719480 0.409259 B\n0.517240 0.011753 0.386642 H\n0.957762 0.959068 0.631484 H\n0.792620 0.775178 0.170836 H\n0.308638 0.707553 0.956998 H\n0.190138 0.639247 0.619436 H\n0.556472 0.941055 0.894184 H\n0.691361 0.292449 0.043003 H\n0.207380 0.224824 0.829165 H\n0.443528 0.058946 0.105817 H\n0.042238 0.040933 0.368516 H\n0.482759 -0.011752 0.613359 H\n0.809862 0.360754 0.380564 H\n0.901839 0.789076 0.596547 O\n0.678898 0.823318 0.946191 O\n0.149456 0.691154 0.978467 O\n0.324055 0.532897 0.604462 O\n0.675945 0.467105 0.395538 O\n0.098161 0.210925 0.403454 O\n0.321102 0.176684 0.053810 O\n0.096817 0.239809 0.704561 O\n0.489946 0.158538 0.649434 O\n0.903183 0.760192 0.295439 O\n0.850544 0.308847 0.021535 O\n0.510054 0.841464 0.350567 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Ca",
"Cu",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-Cu-H-O",
"density": 2.5238163680896077,
"density_atomic": 0.11931514133542111,
"volume": 243.0538125791983,
"volume_molar": 5.047256108988244,
"formula_full": "Ca2 Cu1 B2 H12 O12",
"formula_reduced": "Ca2CuB2(HO)12",
"formula_anonymous": "AB2C2D12E12",
"energy_above_hull": 2.9331413260919543,
"spacegroup": 2
},
{
"id": "jvasp-98431",
"created_at": "2022-09-04T14:35:41.150969Z",
"updated_at": "2022-09-04T14:35:41.150983Z",
"structure_string": "Zn2 H24 C4 N12 Cl8\n1.0\n6.849101 -0.168503 -1.610811\n1.248682 12.220507 -0.770913\n-0.018250 0.065668 6.968172\nZn H C N Cl\n2 24 4 12 8\ndirect\n0.828641 0.775511 0.929695 Zn\n0.171359 0.224489 0.070306 Zn\n0.964702 0.188182 0.628798 H\n0.054627 0.118474 0.435736 H\n0.945372 0.881527 0.564264 H\n0.830419 0.042113 0.165629 H\n0.169580 0.957887 0.834371 H\n0.587654 0.038288 0.181653 H\n0.412345 0.961712 0.818347 H\n0.475676 0.124267 0.440319 H\n0.524324 0.875734 0.559682 H\n0.640059 0.180917 0.640112 H\n0.359940 0.819084 0.359888 H\n0.035298 0.811819 0.371202 H\n0.845443 0.335224 0.346016 H\n0.974230 0.485285 0.252289 H\n0.025769 0.514716 0.747711 H\n0.175010 0.392576 0.800009 H\n0.490628 0.611092 0.186217 H\n0.824989 0.607424 0.199991 H\n0.394681 0.496609 0.258752 H\n0.605318 0.503392 0.741248 H\n0.597059 0.340168 0.350286 H\n0.402940 0.659832 0.649714 H\n0.509371 0.388909 0.813784 H\n0.154557 0.664777 0.653985 H\n0.688173 0.480052 0.266968 C\n0.311827 0.519949 0.733033 C\n0.240499 0.882644 0.586595 C\n0.759501 0.117356 0.413405 C\n0.726287 0.057089 0.245507 N\n0.273712 0.942912 0.754493 N\n0.939586 0.147347 0.494950 N\n0.610803 0.150941 0.498005 N\n0.060413 0.852654 0.505051 N\n0.389197 0.849060 0.501995 N\n0.160927 0.473505 0.771855 N\n0.714976 0.379316 0.338135 N\n0.488880 0.466057 0.762765 N\n0.511119 0.533943 0.237236 N\n0.839072 0.526496 0.228146 N\n0.285024 0.620684 0.661865 N\n0.623996 0.781021 0.138941 Cl\n0.768014 0.652656 0.667646 Cl\n0.231985 0.347345 0.332354 Cl\n0.132562 0.719583 0.105820 Cl\n0.867438 0.280417 0.894180 Cl\n0.786249 0.948049 0.804259 Cl\n0.213750 0.051951 0.195742 Cl\n0.376004 0.218980 0.861060 Cl\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Zn",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Zn",
"density": 1.8599684374120609,
"density_atomic": 0.08553564876713345,
"volume": 584.551595979853,
"volume_molar": 7.040503984946651,
"formula_full": "Zn2 H24 C4 N12 Cl8",
"formula_reduced": "ZnH12C2(N3Cl2)2",
"formula_anonymous": "AB2C4D6E12",
"energy_above_hull": 3.6948814468,
"spacegroup": 2
},
{
"id": "jvasp-97879",
"created_at": "2022-09-04T14:35:41.327949Z",
"updated_at": "2022-09-04T14:35:41.327979Z",
"structure_string": "Rb2 Na10 Be16 O22\n1.0\n6.457864 0.031670 0.077671\n3.154905 7.962608 4.104760\n-0.020299 0.046367 10.612109\nRb Na Be O\n2 10 16 22\ndirect\n0.751682 0.235332 0.061678 Rb\n0.248318 0.764668 0.938322 Rb\n0.749096 0.945441 0.973555 Na\n0.127773 0.860002 0.627967 Na\n0.741185 0.732834 0.539901 Na\n0.247729 0.553555 0.517846 Na\n0.909685 0.636830 0.857428 Na\n0.258815 0.267167 0.460099 Na\n0.090315 0.363171 0.142572 Na\n0.752270 0.446446 0.482153 Na\n0.872227 0.139999 0.372033 Na\n0.250903 0.054560 0.026445 Na\n0.505613 0.592378 0.746558 Be\n0.276360 0.386975 0.851882 Be\n0.039950 0.656231 0.215630 Be\n0.960050 0.343770 0.784370 Be\n0.093910 0.155204 0.701707 Be\n0.333023 0.718859 0.240433 Be\n0.218060 0.890409 0.355782 Be\n0.666976 0.281141 0.759567 Be\n0.614837 0.785037 0.272424 Be\n0.385163 0.214963 0.727575 Be\n0.781940 0.109591 0.644218 Be\n0.723640 0.613026 0.148118 Be\n0.446824 0.087830 0.275632 Be\n0.553176 0.912171 0.724368 Be\n0.906090 0.844797 0.298293 Be\n0.494387 0.407623 0.253442 Be\n0.516017 0.769336 0.137752 O\n0.564323 0.265636 0.623289 O\n0.711896 0.435693 0.208433 O\n0.694803 0.459509 0.720229 O\n0.305197 0.540491 0.279771 O\n0.930216 0.151887 0.823339 O\n0.785513 0.927336 0.716091 O\n0.068301 0.355392 0.914693 O\n0.288104 0.564308 0.791567 O\n0.931699 0.644609 0.085307 O\n0.638225 0.960853 0.243970 O\n0.530425 0.758686 0.718461 O\n0.877025 0.657368 0.335883 O\n0.122975 0.342633 0.664117 O\n0.361775 0.039148 0.756030 O\n0.018008 0.851303 0.428592 O\n0.469575 0.241315 0.281539 O\n0.069783 0.848113 0.176661 O\n0.483983 0.230665 0.862248 O\n0.435677 0.734364 0.376711 O\n0.214486 0.072665 0.283909 O\n0.981992 0.148698 0.571408 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Be",
"O"
],
"chemical_system": "Be-Na-O-Rb",
"density": 2.741017196633499,
"density_atomic": 0.09200956116164583,
"volume": 543.4217853963909,
"volume_molar": 6.545124967415156,
"formula_full": "Rb2 Na10 Be16 O22",
"formula_reduced": "RbNa5Be8O11",
"formula_anonymous": "AB5C8D11",
"energy_above_hull": 1.777888092,
"spacegroup": 2
},
{
"id": "jvasp-48885",
"created_at": "2022-09-04T14:35:41.622054Z",
"updated_at": "2022-09-04T14:35:41.622082Z",
"structure_string": "Li6 Co1 Si2 O8\n1.0\n5.036924 -0.018817 -0.009136\n0.534795 5.428287 -0.048474\n1.136922 0.042704 6.063707\nLi Co Si O\n6 1 2 8\ndirect\n0.846529 0.603145 0.188887 Li\n0.382605 0.737393 0.966835 Li\n0.234393 0.630158 0.393297 Li\n0.765605 0.369841 0.606704 Li\n0.617393 0.262606 0.033166 Li\n0.153469 0.396854 0.811113 Li\n0.499999 -0.000001 0.500000 Co\n0.121625 0.196180 0.276951 Si\n0.878373 0.803820 0.723049 Si\n0.702593 0.071006 0.774966 O\n0.211732 0.782719 0.705280 O\n0.297405 0.928993 0.225035 O\n0.808946 0.714053 0.482919 O\n0.765752 0.588975 0.899691 O\n0.234246 0.411024 0.100310 O\n0.191052 0.285946 0.517082 O\n0.788266 0.217280 0.294721 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.849722091905791,
"density_atomic": 0.10245794095970269,
"volume": 165.92174155330918,
"volume_molar": 5.877671075166876,
"formula_full": "Li6 Co1 Si2 O8",
"formula_reduced": "Li6Co(SiO4)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 2.2953633,
"spacegroup": 2
},
{
"id": "jvasp-48400",
"created_at": "2022-09-04T14:35:41.636402Z",
"updated_at": "2022-09-04T14:35:41.636425Z",
"structure_string": "Co6 O8 F4\n1.0\n5.250383 0.103150 -0.009993\n1.258423 5.150901 -0.006068\n1.765153 1.400121 6.288047\nCo O F\n6 8 4\ndirect\n0.499999 0.500000 0.000000 Co\n0.499999 0.500000 0.500000 Co\n0.192266 0.139036 0.833005 Co\n0.187685 0.162062 0.325238 Co\n0.812313 0.837937 0.674763 Co\n0.807732 0.860964 0.166995 Co\n0.528339 0.150829 0.164667 O\n0.471659 0.849171 0.835334 O\n0.927544 0.935964 0.870477 O\n0.586389 0.616559 0.204012 O\n0.072454 0.064036 0.129524 O\n0.724747 0.738698 0.466329 O\n0.413609 0.383441 0.795989 O\n0.275251 0.261302 0.533672 O\n0.803607 0.211628 0.488528 F\n0.196392 0.788371 0.511473 F\n0.889893 0.446877 0.835093 F\n0.110105 0.553123 0.164908 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Co-F-O",
"density": 5.467169911391558,
"density_atomic": 0.10628514606844246,
"volume": 169.35574410754327,
"volume_molar": 5.666022941834256,
"formula_full": "Co6 O8 F4",
"formula_reduced": "Co3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.375611918333333,
"spacegroup": 2
},
{
"id": "jvasp-88723",
"created_at": "2022-09-04T14:35:41.765045Z",
"updated_at": "2022-09-04T14:35:41.765070Z",
"structure_string": "Al1 Cu1 H28 S2 Cl1 O22\n1.0\n6.275238 -0.004171 -0.513361\n1.696435 13.101463 -0.429325\n-0.003194 -0.002692 6.206551\nAl Cu H S Cl O\n1 1 28 2 1 22\ndirect\n0.500001 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Cu\n0.221342 0.318048 0.371666 H\n0.778658 0.681952 0.628335 H\n0.642192 0.680442 0.391666 H\n0.533704 0.279948 0.910608 H\n0.466296 0.720052 0.089393 H\n0.283755 0.311555 0.951654 H\n0.716246 0.688445 0.048347 H\n0.885827 0.400480 0.991798 H\n0.114173 0.599520 0.008203 H\n0.151624 0.526633 0.216002 H\n0.848376 0.473367 0.783999 H\n0.718503 0.453669 0.362718 H\n0.281497 0.546331 0.637283 H\n0.357808 0.319558 0.608335 H\n0.493361 0.610720 0.647101 H\n0.506639 0.389280 0.352900 H\n0.713103 0.133002 0.349238 H\n0.517860 0.806555 0.582533 H\n0.482140 0.193445 0.417468 H\n0.879855 0.898267 0.534058 H\n0.120145 0.101733 0.465943 H\n0.286897 0.866998 0.650763 H\n0.199336 0.092888 0.726466 H\n0.311091 0.909148 0.171486 H\n0.688910 0.090852 0.828515 H\n0.694944 0.969802 0.877092 H\n0.800665 0.907112 0.273535 H\n0.305057 0.030198 0.122909 H\n0.016256 0.806570 0.933095 S\n0.983744 0.193430 0.066906 S\n-0.000000 0.500000 0.500000 Cl\n0.376408 0.972776 0.215665 O\n0.623592 0.027224 0.784336 O\n0.421522 0.557339 0.714343 O\n0.578478 0.442661 0.285658 O\n0.596447 0.671718 0.129620 O\n0.797875 0.462178 0.927676 O\n0.230356 0.068095 0.575989 O\n0.403553 0.328282 0.870381 O\n0.202126 0.537822 0.072325 O\n0.769645 0.931905 0.424012 O\n0.054924 0.842045 0.716131 O\n0.430896 0.876276 0.601444 O\n0.785376 0.196609 0.920400 O\n0.214624 0.803391 0.079601 O\n0.159628 0.121900 0.977968 O\n0.840373 0.878100 0.022032 O\n0.945076 0.157954 0.283870 O\n0.052058 0.297337 0.090366 O\n0.947942 0.702663 0.909635 O\n0.633980 0.694983 0.552684 O\n0.569105 0.123724 0.398557 O\n0.366020 0.305017 0.447317 O\n",
"nsites": 55,
"nelements": 6,
"elements": [
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"Cu",
"H",
"S",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Cu-H-O-S",
"density": 1.8558898760167009,
"density_atomic": 0.10778230150528464,
"volume": 510.28786017622116,
"volume_molar": 5.587318767455276,
"formula_full": "Al1 Cu1 H28 S2 Cl1 O22",
"formula_reduced": "AlCuH28S2ClO22",
"formula_anonymous": "ABCD2E22F28",
"energy_above_hull": 3.0722593512272725,
"spacegroup": 2
},
{
"id": "jvasp-95240",
"created_at": "2022-09-04T14:35:41.723256Z",
"updated_at": "2022-09-04T14:35:41.723278Z",
"structure_string": "H10 C2 S2 N4 Cl2 O8\n1.0\n5.853438 -0.204687 -0.021376\n-2.051928 8.050624 -1.452534\n0.013431 0.269186 6.653128\nH C S N Cl O\n10 2 2 4 2 8\ndirect\n0.834749 0.119564 0.722762 H\n0.165250 0.880436 0.277238 H\n0.430873 0.116309 0.534169 H\n0.569126 0.883691 0.465831 H\n0.625819 0.998316 0.849632 H\n0.374180 0.001684 0.150368 H\n0.424898 0.304744 0.113261 H\n0.575102 0.695256 0.886739 H\n0.260593 0.363875 0.448759 H\n0.739406 0.636124 0.551241 H\n0.420410 0.234579 0.821799 C\n0.579589 0.765421 0.178201 C\n0.773571 0.660812 0.235142 S\n0.226429 0.339188 0.764858 S\n0.504705 0.141563 0.680511 N\n0.495294 0.858437 0.319489 N\n0.660627 0.045960 0.715546 N\n0.339373 0.954040 0.284454 N\n0.951085 0.287301 0.218963 Cl\n0.048914 0.712698 0.781038 Cl\n0.821577 0.320110 0.398575 O\n0.932450 0.110914 0.166713 O\n0.067550 0.889086 0.833287 O\n0.498819 0.236585 0.011328 O\n0.501180 0.763415 0.988672 O\n0.254891 0.377907 0.298389 O\n0.745108 0.622093 0.701612 O\n0.178422 0.679890 0.601425 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 1.8733914222491295,
"density_atomic": 0.08944733975856446,
"volume": 313.03334538039223,
"volume_molar": 6.732610244480064,
"formula_full": "H10 C2 S2 N4 Cl2 O8",
"formula_reduced": "H5CSN2ClO4",
"formula_anonymous": "ABCD2E4F5",
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"spacegroup": 2
},
{
"id": "jvasp-97570",
"created_at": "2022-09-04T14:35:41.817668Z",
"updated_at": "2022-09-04T14:35:41.817694Z",
"structure_string": "Na4 Cr4 O14\n1.0\n6.909867 0.128626 -2.570461\n-1.940409 4.803607 4.676295\n2.002915 -4.798810 4.609378\nNa Cr O\n4 4 14\ndirect\n0.676975 0.940049 0.622931 Na\n0.323025 0.059951 0.377068 Na\n0.250618 0.365075 0.841270 Na\n0.749382 0.634925 0.158729 Na\n0.199966 0.825188 0.869609 Cr\n0.800035 0.174813 0.130390 Cr\n0.760855 0.507748 0.656134 Cr\n0.239145 0.492253 0.343865 Cr\n0.208898 0.323806 0.503013 O\n0.791102 0.676195 0.496986 O\n0.374909 0.456240 0.169057 O\n0.625092 0.543760 0.830942 O\n0.353422 0.746678 0.441905 O\n0.646578 0.253323 0.558094 O\n0.236798 0.021472 0.741211 O\n0.122826 0.865572 0.086339 O\n0.763203 0.978528 0.258788 O\n0.003591 0.568699 0.753843 O\n0.596887 0.208229 0.122750 O\n0.403113 0.791771 0.877249 O\n0.877174 0.134429 0.913660 O\n-0.003592 0.431301 0.246156 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Cr",
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],
"chemical_system": "Cr-Na-O",
"density": 2.795599644109814,
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