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{
"id": "jvasp-30700",
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"structure_string": "Y2 Bi6 F30\n1.0\n10.879633 -1.867396 0.000000\n-2.789955 5.374752 0.000000\n0.000000 0.000000 11.319720\nY Bi F\n2 6 30\ndirect\n0.830792 0.523462 0.250000 Y\n0.502540 0.476536 0.750000 Y\n0.166667 -0.000000 0.500000 Bi\n0.478222 0.887553 0.447214 Bi\n0.855109 0.112446 0.552786 Bi\n0.166667 -0.000000 0.000000 Bi\n0.478222 0.887553 0.052786 Bi\n0.855109 0.112446 0.947214 Bi\n0.634036 0.310444 0.129699 F\n0.911769 0.380987 0.116713 F\n0.254399 0.361173 0.406276 F\n0.634036 0.310444 0.370301 F\n0.911769 0.380987 0.383287 F\n0.078935 0.638826 0.593724 F\n0.394318 0.175010 0.957179 F\n0.699296 0.689554 0.629699 F\n0.107024 0.166422 0.874104 F\n0.254399 0.361173 0.093724 F\n0.676375 0.159796 0.916819 F\n0.226309 0.833577 0.125896 F\n0.421562 0.619011 0.616713 F\n0.699296 0.689554 0.870301 F\n0.656957 0.840203 0.416819 F\n0.078935 0.638826 0.906276 F\n0.939014 0.824988 0.457179 F\n0.656957 0.840203 0.083181 F\n0.226309 0.833577 0.374104 F\n0.676375 0.159796 0.583181 F\n0.394318 0.175010 0.542821 F\n0.107024 0.166422 0.625896 F\n0.879314 0.206107 0.750000 F\n0.452510 0.058902 0.750000 F\n0.268759 0.063478 0.750000 F\n0.880823 0.941097 0.250000 F\n0.454018 0.793891 0.250000 F\n0.064573 0.936521 0.250000 F\n0.421562 0.619011 0.883287 F\n0.939014 0.824988 0.042821 F\n",
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{
"id": "jvasp-88041",
"created_at": "2022-09-04T14:36:13.701739Z",
"updated_at": "2022-09-04T14:36:13.701772Z",
"structure_string": "Na4 Sr2 P8 O24\n1.0\n5.000683 0.000000 0.000000\n-0.000000 9.889241 -0.000000\n-0.000000 0.000000 9.889241\nNa Sr P O\n4 2 8 24\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.250000 0.250000 Sr\n0.500000 0.750000 0.750000 Sr\n0.000000 0.963214 0.250000 P\n0.000000 0.463214 0.750000 P\n0.000000 0.750000 0.463214 P\n0.000000 0.750000 0.036786 P\n0.000000 0.036786 0.750000 P\n0.000000 0.250000 0.536786 P\n0.000000 0.536786 0.250000 P\n0.000000 0.250000 0.963214 P\n0.771563 0.312878 0.037449 O\n0.771563 0.037449 0.187122 O\n0.771563 0.462551 0.312878 O\n0.771563 0.812878 0.962551 O\n0.228437 0.687122 0.962551 O\n0.771563 0.962551 0.687122 O\n0.771563 0.687122 0.537448 O\n0.228437 0.812878 0.537448 O\n0.771563 0.187122 0.462551 O\n0.771563 0.537448 0.812878 O\n0.228437 0.312878 0.462551 O\n0.867101 0.640115 0.140115 O\n0.228437 0.462551 0.187122 O\n0.228437 0.187122 0.037449 O\n0.867101 0.140115 0.859885 O\n0.867101 0.359885 0.640115 O\n0.867101 0.859885 0.359885 O\n0.228437 0.962551 0.812878 O\n0.132899 0.859885 0.140115 O\n0.132899 0.359885 0.859885 O\n0.132899 0.140115 0.640115 O\n0.132899 0.640115 0.359885 O\n0.228437 0.037449 0.312878 O\n0.228437 0.537448 0.687122 O\n",
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"formula_full": "Na4 Sr2 P8 O24",
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{
"id": "jvasp-97585",
"created_at": "2022-09-04T14:35:58.459794Z",
"updated_at": "2022-09-04T14:35:58.459825Z",
"structure_string": "Tm4 Ni34\n1.0\n8.212304 -0.000000 -0.000000\n-4.106152 7.112064 -0.000000\n0.000000 -0.000000 7.964674\nTm Ni\n4 34\ndirect\n0.666666 0.333333 0.250000 Tm\n0.000000 0.000000 0.250000 Tm\n0.333333 0.666666 0.750000 Tm\n0.000000 0.000000 0.750000 Tm\n0.164965 0.835035 0.522523 Ni\n0.164965 0.329929 0.522523 Ni\n0.670070 0.835035 0.522523 Ni\n0.329929 0.164965 0.022524 Ni\n0.835035 0.670070 0.477476 Ni\n0.835035 0.164965 0.022524 Ni\n0.041638 0.672603 0.250000 Ni\n0.164965 0.835035 0.977476 Ni\n0.670070 0.835035 0.977476 Ni\n0.329929 0.164965 0.477476 Ni\n0.835035 0.164965 0.477476 Ni\n0.164965 0.329929 0.977476 Ni\n0.327397 0.369035 0.250000 Ni\n0.630965 0.958362 0.250000 Ni\n0.835035 0.670070 0.022524 Ni\n0.333333 0.666666 0.100753 Ni\n0.672603 0.630965 0.750000 Ni\n0.666666 0.333333 0.600753 Ni\n0.666666 0.333333 0.899246 Ni\n0.333333 0.666666 0.399246 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.327397 0.958362 0.250000 Ni\n0.369035 0.327397 0.750000 Ni\n0.958362 0.630965 0.750000 Ni\n0.041638 0.369035 0.250000 Ni\n0.630965 0.672603 0.250000 Ni\n0.369035 0.041638 0.750000 Ni\n0.672603 0.041638 0.750000 Ni\n0.958362 0.327397 0.750000 Ni\n",
"nsites": 38,
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"elements": [
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"density": 9.53553590805269,
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"formula_full": "Tm4 Ni34",
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{
"id": "jvasp-112216",
"created_at": "2022-09-04T14:38:43.801135Z",
"updated_at": "2022-09-04T14:38:43.801163Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.895679 -0.029548 -0.468594\n-0.485041 4.629219 -0.501600\n-0.096905 -0.371969 17.442470\nCd H C O\n1 20 12 4\ndirect\n0.234795 0.276480 0.141151 Cd\n0.066053 0.731214 0.457523 H\n0.046023 0.124211 0.363051 H\n0.779170 0.640235 0.997571 H\n0.067975 0.958685 0.870678 H\n0.942168 0.526485 0.787963 H\n0.620185 0.403872 0.643096 H\n0.222360 0.464091 0.675578 H\n0.325065 0.258955 0.501067 H\n0.927772 0.331377 0.532016 H\n0.687082 0.134350 0.031778 H\n0.640833 0.185166 0.388153 H\n0.398207 0.346469 0.889868 H\n0.176820 0.058234 0.977571 H\n0.679603 0.008278 0.727542 H\n0.289199 0.075985 0.762751 H\n0.382364 0.883842 0.591407 H\n-0.017349 0.948560 0.621945 H\n0.835091 0.634886 0.295167 H\n0.245992 0.694042 0.370279 H\n0.670500 0.823588 0.481881 H\n0.031993 0.909925 0.928664 C\n0.817353 0.681150 0.938624 C\n0.624463 0.470474 0.875137 C\n0.709212 0.410087 0.802997 C\n0.513913 0.181313 0.740853 C\n0.394546 0.295458 0.664233 C\n0.815063 0.015616 0.381845 C\n0.096799 0.158432 0.523024 C\n0.907043 0.913462 0.461286 C\n0.646209 0.773924 0.315946 C\n0.494048 0.903049 0.244108 C\n0.210251 0.054255 0.600871 C\n0.394584 0.577688 0.341877 O\n0.251753 0.758178 0.194031 O\n0.614829 0.159009 0.237800 O\n0.714682 0.270226 0.080013 O\n",
"nsites": 37,
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"elements": [
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"O"
],
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"density": 1.8058354809960422,
"density_atomic": 0.11810384278573133,
"volume": 313.28362504789,
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"formula_full": "Cd1 H20 C12 O4",
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},
{
"id": "jvasp-33742",
"created_at": "2022-09-04T14:38:04.228616Z",
"updated_at": "2022-09-04T14:38:04.228628Z",
"structure_string": "Si1 H18 C2 N8 O2 F6\n1.0\n6.443847 -0.124837 -0.038382\n-0.038487 6.571076 -0.154353\n0.909571 2.389262 7.374557\nSi H C N O F\n1 18 2 8 2 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.773045 0.619757 0.943263 H\n0.887602 0.230931 0.300293 H\n0.737992 0.390963 0.918115 H\n0.839182 0.832109 0.385383 H\n0.775616 0.686562 0.614555 H\n0.707273 0.137148 0.679421 H\n0.540560 0.383990 0.254158 H\n0.451116 0.078812 0.791663 H\n0.885099 0.475722 0.322880 H\n0.459440 0.616010 0.745843 H\n0.292726 0.862852 0.320580 H\n0.224384 0.313438 0.385446 H\n0.160817 0.167890 0.614618 H\n0.262008 0.609037 0.081886 H\n0.112398 0.769069 0.699708 H\n0.226955 0.380242 0.056738 H\n0.114901 0.524278 0.677121 H\n0.548884 0.921187 0.208338 H\n0.474991 0.237705 0.522920 C\n0.525009 0.762294 0.477081 C\n0.823026 0.322815 0.376379 N\n0.730077 0.756520 0.490177 N\n0.606212 0.322053 0.371482 N\n0.550002 0.153041 0.678837 N\n0.393787 0.677947 0.628520 N\n0.269923 0.243480 0.509824 N\n0.176974 0.677185 0.623622 N\n0.449998 0.846958 0.321164 N\n0.277560 0.456656 0.137617 O\n0.722439 0.543344 0.862384 O\n0.874582 0.753007 0.087102 F\n0.046355 0.000372 0.212763 F\n0.125418 0.246992 0.912899 F\n0.234895 0.885871 0.970803 F\n0.765105 0.114128 0.029198 F\n0.953645 -0.000373 0.787237 F\n",
"nsites": 37,
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"elements": [
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"density_atomic": 0.1175153887112905,
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"formula_full": "Si1 H18 C2 N8 O2 F6",
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{
"id": "jvasp-112215",
"created_at": "2022-09-04T14:38:46.233346Z",
"updated_at": "2022-09-04T14:38:46.233366Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.784041 0.319975 0.219789\n1.719777 4.491322 0.240225\n0.485995 0.116446 17.607443\nCd H C O\n1 20 12 4\ndirect\n0.618679 0.013553 0.151592 Cd\n0.065778 0.778514 0.491713 H\n0.359768 0.305879 0.411267 H\n0.303660 0.212004 0.954601 H\n0.755232 0.181240 0.835170 H\n0.170265 0.248747 0.811438 H\n0.623408 0.222809 0.694046 H\n0.038187 0.290777 0.670205 H\n0.491127 0.264389 0.552810 H\n0.906112 0.332203 0.529070 H\n0.905543 0.126069 0.974531 H\n0.775154 0.372382 0.387817 H\n0.461614 0.655027 0.915464 H\n-0.122947 0.721348 0.891901 H\n0.329844 0.695360 0.774212 H\n0.744882 0.763049 0.750409 H\n0.197401 0.736650 0.633020 H\n0.612074 0.804806 0.609219 H\n0.933306 0.815259 0.348520 H\n0.331506 0.901114 0.328648 H\n0.480692 0.846279 0.468080 H\n0.907793 0.473429 0.042722 C\n-0.016461 0.321003 0.966522 C\n0.778434 0.537335 0.900453 C\n0.852847 0.366427 0.826240 C\n0.647191 0.577959 0.759380 C\n0.720830 0.408050 0.685045 C\n0.458251 0.489978 0.402756 C\n0.588718 0.449539 0.543861 C\n0.383266 0.660978 0.476973 C\n0.253458 0.706204 0.336648 C\n0.329455 0.553682 0.260457 C\n0.514783 0.619483 0.618200 C\n0.980471 0.302574 0.104099 O\n0.256914 0.724474 0.199069 O\n0.458203 0.261873 0.260684 O\n0.779068 0.765230 0.042507 O\n",
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"elements": [
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],
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"density_atomic": 0.1280049834084904,
"volume": 289.05124640284777,
"volume_molar": 4.704614304571332,
"formula_full": "Cd1 H20 C12 O4",
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},
{
"id": "jvasp-112211",
"created_at": "2022-09-04T14:38:46.700872Z",
"updated_at": "2022-09-04T14:38:46.700897Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.728836 -0.107218 -0.418973\n-0.525296 5.550421 -0.194993\n0.122626 0.516385 14.882531\nH Pb C O\n20 1 12 4\ndirect\n0.634251 0.552160 0.381348 H\n0.972058 0.401201 0.496888 H\n0.404825 0.176948 0.927409 H\n0.032774 0.443463 0.059787 H\n0.460026 0.434618 0.762998 H\n0.922661 0.429693 0.797081 H\n0.611671 0.695755 0.621532 H\n0.066549 0.664437 0.655406 H\n0.781927 0.948450 0.486335 H\n0.230575 0.898841 0.517993 H\n0.959419 0.171944 0.350287 H\n0.390478 0.097562 0.381727 H\n0.374169 0.636064 0.906514 H\n0.844465 0.685319 0.936732 H\n0.556286 0.893218 0.769658 H\n0.016289 0.882672 0.803047 H\n0.758371 0.151235 0.635923 H\n0.213010 0.114559 0.667163 H\n0.207677 0.613339 0.334542 H\n0.420362 0.345253 0.526687 H\n0.770376 0.960303 0.106878 Pb\n0.824232 0.304511 0.028877 C\n0.609379 0.323988 0.953359 C\n0.627713 0.557682 0.901848 C\n0.695615 0.535398 0.802489 C\n0.780182 0.785932 0.762225 C\n0.853831 0.781093 0.663231 C\n0.217711 0.241611 0.388452 C\n0.031894 0.025431 0.527021 C\n0.164635 0.270427 0.488091 C\n0.384007 0.468334 0.342858 C\n0.471748 0.399088 0.251084 C\n0.966272 0.032154 0.626544 C\n0.229354 0.788060 0.068055 O\n0.797452 0.790426 0.243803 O\n0.362938 0.201468 0.213628 O\n0.703621 0.541828 0.206435 O\n",
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"density_atomic": 0.12014681129525547,
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{
"id": "jvasp-29340",
"created_at": "2022-09-04T14:37:05.490295Z",
"updated_at": "2022-09-04T14:37:05.490312Z",
"structure_string": "Zn3 As2 H16 O16\n1.0\n4.589908 -0.980596 -1.472747\n-2.960169 9.073259 -0.933250\n-1.292261 1.353176 9.405137\nZn As H O\n3 2 16 16\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.622666 0.377334 Zn\n0.000000 0.377334 0.622666 Zn\n0.749517 0.688696 0.688696 As\n0.250484 0.311304 0.311304 As\n0.399614 0.794960 -0.006640 H\n0.600386 0.006639 0.205039 H\n0.988339 0.490455 0.183208 H\n0.011662 0.816792 0.509545 H\n0.011662 0.509545 0.816792 H\n0.988339 0.183208 0.490455 H\n0.466074 0.891048 0.505277 H\n0.399614 -0.006639 0.794961 H\n0.466074 0.505277 0.891048 H\n0.533926 0.108953 0.494723 H\n0.678037 0.720769 0.079524 H\n0.321963 0.920475 0.279230 H\n0.533926 0.494723 0.108952 H\n0.600386 0.205039 0.006639 H\n0.678037 0.079525 0.720770 H\n0.321964 0.279231 0.920476 H\n0.228445 0.855787 0.424288 O\n0.020824 0.839477 0.839477 O\n0.979177 0.160523 0.160523 O\n0.309811 0.610450 0.610450 O\n0.690189 0.389550 0.389550 O\n0.784953 0.516692 0.743074 O\n0.215047 0.256926 0.483308 O\n0.215047 0.483308 0.256926 O\n0.784953 0.743074 0.516692 O\n0.360245 0.958994 0.185051 O\n0.639756 0.814949 0.041005 O\n0.639756 0.041006 0.814950 O\n0.360246 0.185051 0.958995 O\n0.228445 0.424289 0.855787 O\n0.771555 0.575712 0.144213 O\n0.771556 0.144213 0.575712 O\n",
"nsites": 37,
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"elements": [
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"density_atomic": 0.10346020983811295,
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"formula_full": "Zn3 As2 H16 O16",
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},
{
"id": "jvasp-103937",
"created_at": "2022-09-04T14:36:50.612858Z",
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"structure_string": "Zn1 H20 C12 O4\n1.0\n4.242405 0.114887 0.308543\n2.102713 4.578030 0.275099\n-0.402718 0.731882 15.861889\nZn H C O\n1 20 12 4\ndirect\n0.243696 0.915765 0.858967 Zn\n0.230470 0.361237 0.511937 H\n0.366660 0.517313 0.648532 H\n0.632880 0.547295 0.074926 H\n0.116952 0.426593 0.185895 H\n0.550132 0.315636 0.218592 H\n0.106263 0.182206 0.351063 H\n0.566379 0.032795 0.354577 H\n0.213255 0.866577 0.506003 H\n0.668096 0.710666 0.486164 H\n0.245067 0.598330 0.026889 H\n0.813442 0.362871 0.618954 H\n0.369171 0.073872 0.066260 H\n0.793008 -0.008493 0.100519 H\n0.166477 0.925008 0.215727 H\n0.625193 0.772641 0.224391 H\n0.131699 0.680299 0.369093 H\n0.588584 0.514498 0.353197 H\n0.365994 0.022346 0.651153 H\n0.812496 0.860323 0.616153 H\n0.678813 0.204715 0.484858 H\n0.720757 0.351021 0.958946 C\n0.514178 0.431736 0.041230 C\n0.521177 0.166365 0.096924 C\n0.382541 0.239760 0.186927 C\n0.379125 -0.030649 0.238009 C\n0.350413 0.990127 0.333818 C\n0.568186 0.342629 0.612418 C\n0.430367 0.682469 0.475869 C\n0.473223 0.385265 0.518895 C\n0.614732 0.037682 0.652027 C\n0.732636 -0.003404 0.742388 C\n0.370610 0.705165 0.380767 C\n0.654122 0.536746 0.895422 O\n0.511593 0.116247 0.801010 O\n0.063106 -0.144874 0.755105 O\n0.976379 0.089310 0.958977 O\n",
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],
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"formula_reduced": "ZnH20(C3O)4",
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},
{
"id": "jvasp-112225",
"created_at": "2022-09-04T14:38:47.054411Z",
"updated_at": "2022-09-04T14:38:47.054436Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.934230 0.107820 0.108805\n0.864238 4.247128 0.327416\n0.182309 -0.054297 17.237840\nCd H C O\n1 20 12 4\ndirect\n0.142620 0.869914 0.859101 Cd\n0.000092 0.724713 0.533426 H\n0.025394 0.204228 0.607217 H\n0.492815 0.199148 0.015477 H\n0.631390 0.208198 0.189979 H\n0.209744 0.236287 0.155932 H\n0.393630 0.213372 0.326971 H\n0.964762 0.257341 0.295272 H\n0.183447 0.210605 0.466577 H\n0.750874 0.253904 0.437211 H\n0.894564 0.172901 0.059229 H\n0.590347 0.217923 0.583755 H\n0.654851 0.720211 0.110563 H\n0.247720 0.721756 0.071437 H\n0.430643 0.725475 0.251183 H\n0.006124 0.759729 0.217405 H\n0.212470 0.725371 0.392673 H\n0.781739 0.767713 0.361982 H\n0.790758 0.740352 0.670823 H\n0.371148 0.671980 0.664398 H\n0.564784 0.747904 0.508438 H\n0.792388 0.501298 0.961777 C\n0.666623 0.342181 0.034596 C\n0.485216 0.564635 0.095834 C\n0.394082 0.379658 0.169797 C\n0.243444 0.585935 0.236596 C\n0.157145 0.392236 0.309473 C\n0.772599 0.367277 0.594808 C\n0.943657 0.389085 0.451022 C\n0.814304 0.579347 0.521772 C\n0.648256 0.551201 0.666778 C\n0.710485 0.357073 0.743989 C\n0.020390 0.589973 0.378598 C\n0.063049 0.359518 0.925378 O\n0.530529 0.448100 0.803939 O\n0.959311 0.106429 0.745834 O\n0.637768 0.786469 0.938882 O\n",
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"elements": [
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],
"chemical_system": "C-Cd-H-O",
"density": 1.9752693283979776,
"density_atomic": 0.12918502304092402,
"volume": 286.4109099417733,
"volume_molar": 4.6616400401866,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
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},
{
"id": "jvasp-96826",
"created_at": "2022-09-04T14:36:22.222864Z",
"updated_at": "2022-09-04T14:36:22.222884Z",
"structure_string": "Bi10 Mo3 O24\n1.0\n5.535743 -0.000048 -1.327506\n-0.201601 8.677313 -0.840719\n0.009150 0.049215 12.243611\nBi Mo O\n10 3 24\ndirect\n0.475199 0.677628 0.925170 Bi\n0.774730 0.545933 0.386627 Bi\n0.550028 0.322369 0.074830 Bi\n0.272942 0.817668 0.475444 Bi\n0.089411 0.594880 0.150868 Bi\n0.388101 0.454069 0.613372 Bi\n0.175992 0.249255 0.297478 Bi\n0.938545 0.405118 0.849130 Bi\n0.878519 0.750742 0.702522 Bi\n0.797505 0.182335 0.524558 Bi\n0.679522 0.927442 0.248265 Mo\n-0.003317 -0.000003 -0.000000 Mo\n0.431264 0.072560 0.751737 Mo\n0.152917 0.161446 0.970531 O\n0.027045 0.687403 0.551315 O\n0.650428 0.580245 0.782004 O\n0.475724 0.312582 0.448686 O\n0.868420 0.419754 0.217996 O\n0.756570 0.935810 0.881323 O\n0.360473 0.412453 0.212635 O\n0.704557 0.774643 0.143805 O\n0.544517 0.830756 0.342690 O\n0.147841 0.587548 0.787366 O\n0.560767 0.225346 0.856201 O\n0.543635 0.651792 0.550929 O\n0.267200 0.917897 0.788536 O\n0.478644 0.082091 0.211458 O\n0.182374 0.838543 0.029467 O\n0.781369 0.500001 0.000000 O\n0.617726 0.003871 0.657503 O\n0.295606 0.499996 -0.000004 O\n0.875227 0.064182 0.118669 O\n0.103252 0.650136 0.345762 O\n0.960213 0.996146 0.342493 O\n0.757502 0.349882 0.654232 O\n0.201831 0.169254 0.657322 O\n0.992711 0.348210 0.449067 O\n",
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"elements": [
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],
"chemical_system": "Bi-Mo-O",
"density": 7.7926315779973985,
"density_atomic": 0.06287449167254963,
"volume": 588.4739425440767,
"volume_molar": 9.57803490700698,
"formula_full": "Bi10 Mo3 O24",
"formula_reduced": "Bi10(MoO8)3",
"formula_anonymous": "A3B10C24",
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},
{
"id": "jvasp-103987",
"created_at": "2022-09-04T14:36:47.864575Z",
"updated_at": "2022-09-04T14:36:47.864588Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.895308 -0.110980 -0.548034\n-0.890648 4.241458 -0.158020\n-0.685650 0.048134 17.528757\nCd H C O\n1 20 12 4\ndirect\n0.614107 0.113797 0.156907 Cd\n0.963574 0.745308 0.453534 H\n0.928595 0.259503 0.369656 H\n0.082989 0.248691 0.968052 H\n0.685435 0.233844 0.807528 H\n0.147030 0.266642 0.830881 H\n0.751443 0.214898 0.660595 H\n0.213306 0.264970 0.690251 H\n0.830789 0.222265 0.515759 H\n0.289244 0.263310 0.548982 H\n0.653860 0.307024 0.963944 H\n0.375021 0.266894 0.408631 H\n0.773496 0.763019 0.882951 H\n0.234076 0.787600 0.904380 H\n0.783935 0.727814 0.735638 H\n0.246754 0.780753 0.763527 H\n0.855780 0.724624 0.593118 H\n0.316713 0.776695 0.624010 H\n0.111517 0.783527 0.313412 H\n0.556806 0.813832 0.356604 H\n0.419560 0.780619 0.487196 H\n0.069141 0.628318 0.042120 C\n-0.069755 0.433703 0.965133 C\n0.972795 0.619068 0.893021 C\n0.944552 0.407345 0.819933 C\n0.995394 0.597543 0.748870 C\n0.003368 0.396522 0.676529 C\n0.187792 0.419826 0.393789 C\n0.084306 0.399586 0.534483 C\n0.165231 0.605441 0.467432 C\n0.306300 0.642379 0.332359 C\n0.361854 0.482696 0.259619 C\n0.066208 0.593798 0.607127 C\n-0.051378 0.537952 0.102193 O\n0.597719 0.624221 0.223321 O\n0.184916 0.197282 0.236673 O\n0.320256 0.878558 0.043720 O\n",
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]
}