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"results": [
{
"id": "jvasp-55245",
"created_at": "2022-09-04T14:38:13.713509Z",
"updated_at": "2022-09-04T14:38:13.713530Z",
"structure_string": "Nd4 Ta4 O16\n1.0\n0.000000 7.642263 -0.007688\n5.515210 0.000000 0.000000\n0.000000 -1.324997 -7.643158\nNd Ta O\n4 4 16\ndirect\n0.348209 0.223401 0.101346 Nd\n0.651791 0.723401 0.398655 Nd\n0.651791 0.776599 0.898655 Nd\n0.348208 0.276599 0.601346 Nd\n0.165418 0.730857 0.306122 Ta\n0.834581 0.230857 0.193878 Ta\n0.834581 0.269143 0.693879 Ta\n0.165418 0.769143 0.806122 Ta\n0.939826 0.907007 0.300565 O\n0.060174 0.407007 0.199436 O\n0.166202 0.647864 0.556819 O\n0.833797 0.147865 0.943182 O\n0.833798 0.352135 0.443182 O\n0.166202 0.852135 0.056818 O\n0.384238 0.513379 0.330539 O\n0.331560 0.991048 0.371090 O\n0.615761 0.486621 0.669461 O\n0.384238 0.986621 0.830540 O\n0.939825 0.592993 0.800565 O\n0.668439 0.491048 0.128910 O\n0.668439 0.008952 0.628911 O\n0.331560 0.508952 0.871090 O\n0.615762 0.013379 0.169461 O\n0.060174 0.092993 0.699436 O\n",
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{
"id": "jvasp-9610",
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"updated_at": "2022-09-04T14:38:13.809652Z",
"structure_string": "Na4 C4 O8\n1.0\n0.000000 3.427627 -0.046185\n5.290716 0.000000 0.000000\n0.000000 -0.528310 -10.379735\nNa C O\n4 4 8\ndirect\n0.697073 0.556495 0.144476 Na\n0.302928 0.056495 0.355524 Na\n0.302928 0.443506 0.855525 Na\n0.697073 0.943506 0.644476 Na\n0.886458 0.542926 0.436265 C\n0.113543 0.042926 0.063736 C\n0.113543 0.457075 0.563736 C\n0.886458 0.957075 0.936265 C\n0.829443 0.121793 0.849079 O\n0.170559 0.621793 0.650922 O\n0.170559 0.878208 0.150922 O\n0.829443 0.378207 0.349079 O\n0.775757 0.729128 0.930164 O\n0.224244 0.229127 0.569837 O\n0.224244 0.270873 0.069837 O\n0.775757 0.770873 0.430164 O\n",
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"volume": 188.36144628058588,
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-59188",
"created_at": "2022-09-04T14:38:13.924466Z",
"updated_at": "2022-09-04T14:38:13.924476Z",
"structure_string": "Na12 Fe4 O12\n1.0\n0.000000 5.753412 0.035186\n12.625346 0.000000 0.000000\n0.000000 -3.293623 -5.314843\nNa Fe O\n12 4 12\ndirect\n0.447071 0.221322 0.307564 Na\n0.552929 0.721322 0.192435 Na\n0.542802 0.515866 0.781970 Na\n0.447071 0.278678 0.807564 Na\n0.542802 0.984134 0.281970 Na\n0.457197 0.484134 0.218029 Na\n0.064963 0.402313 0.360256 Na\n0.935037 0.902313 0.139743 Na\n0.935037 0.597687 0.639743 Na\n0.064963 0.097687 0.860256 Na\n0.457197 0.015866 0.718029 Na\n0.552929 0.778678 0.692434 Na\n0.917195 0.336721 0.743297 Fe\n0.082805 0.836721 0.756701 Fe\n0.082805 0.663279 0.256701 Fe\n0.917195 0.163279 0.243298 Fe\n0.970983 0.227850 0.548899 O\n0.029016 0.727850 0.951099 O\n0.029016 0.772150 0.451100 O\n0.970983 0.272150 0.048899 O\n0.452017 0.873131 0.953163 O\n0.547983 0.373130 0.546836 O\n0.179865 0.061570 0.300309 O\n0.820134 0.561570 0.199690 O\n0.820134 0.938430 0.699690 O\n0.179865 0.438430 0.800309 O\n0.547983 0.126870 0.046836 O\n0.452017 0.626870 0.453163 O\n",
"nsites": 28,
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"volume": 384.60076500926283,
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"formula_full": "Na12 Fe4 O12",
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"spacegroup": 14
},
{
"id": "jvasp-26772",
"created_at": "2022-09-04T14:38:14.741582Z",
"updated_at": "2022-09-04T14:38:14.741617Z",
"structure_string": "Rb16 Zn8 O16\n1.0\n0.000000 9.570366 0.091825\n6.338679 0.000000 0.000000\n0.000000 -7.784902 -14.051340\nRb Zn O\n16 8 16\ndirect\n0.683821 0.583240 0.762041 Rb\n0.683821 0.916760 0.262041 Rb\n0.564856 0.437374 0.119768 Rb\n0.860511 0.822785 0.528272 Rb\n0.922858 0.138495 0.163937 Rb\n0.316179 0.083240 0.737958 Rb\n0.860511 0.677215 0.028272 Rb\n0.564856 0.062626 0.619768 Rb\n0.435144 0.937374 0.380231 Rb\n0.435144 0.562626 0.880231 Rb\n0.316179 0.416760 0.237958 Rb\n0.139490 0.322785 0.971727 Rb\n0.077142 0.861505 0.836062 Rb\n0.077142 0.638495 0.336062 Rb\n0.922859 0.361505 0.663937 Rb\n0.139489 0.177215 0.471727 Rb\n0.412316 0.946826 0.040193 Zn\n0.758087 0.377641 0.368392 Zn\n0.587685 0.053174 0.959807 Zn\n0.241913 0.622359 0.631608 Zn\n0.758087 0.122359 0.868392 Zn\n0.587685 0.446826 0.459807 Zn\n0.241913 0.877641 0.131608 Zn\n0.412316 0.553174 0.540193 Zn\n0.255076 0.778982 0.529429 O\n0.384906 0.106500 0.142493 O\n0.142002 0.689026 0.702159 O\n0.615095 0.893500 0.857507 O\n0.142002 0.810974 0.202159 O\n0.744924 0.278982 0.970571 O\n0.363121 0.134145 0.926695 O\n0.615095 0.606500 0.357507 O\n0.384906 0.393500 0.642493 O\n0.255076 0.721018 0.029429 O\n0.857999 0.310974 0.297841 O\n0.857999 0.189026 0.797841 O\n0.744924 0.221018 0.470571 O\n0.636880 0.865856 0.073305 O\n0.363120 0.365855 0.426695 O\n0.636880 0.634145 0.573305 O\n",
"nsites": 40,
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"elements": [
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"Zn",
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],
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"density": 4.204358399557271,
"density_atomic": 0.04717693465979038,
"volume": 847.8719587962677,
"volume_molar": 12.76501070582011,
"formula_full": "Rb16 Zn8 O16",
"formula_reduced": "Rb2ZnO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-12805",
"created_at": "2022-09-04T14:38:14.307683Z",
"updated_at": "2022-09-04T14:38:14.307721Z",
"structure_string": "Li12 B4 O12\n1.0\n3.236434 -0.005135 0.000000\n-1.592621 8.183737 0.000000\n0.000000 0.000000 9.171824\nLi B O\n12 4 12\ndirect\n0.506536 0.982890 0.768524 Li\n0.493464 0.517112 0.268525 Li\n0.493464 0.017111 0.231475 Li\n0.506536 0.482889 0.731475 Li\n0.723698 0.888174 0.523639 Li\n0.276301 0.611827 0.023639 Li\n0.276301 0.111827 0.476360 Li\n0.723698 0.388174 0.976360 Li\n0.091578 0.631987 0.572425 Li\n0.908422 0.868014 0.072425 Li\n0.908422 0.368015 0.427574 Li\n0.091578 0.131987 0.927574 Li\n0.801116 0.245101 0.686800 B\n0.198884 0.254900 0.186800 B\n0.198884 0.754900 0.313200 B\n0.801116 0.745101 0.813200 B\n0.969827 0.900776 0.862392 O\n0.030173 0.599225 0.362393 O\n0.030172 0.099225 0.137607 O\n0.969827 0.400776 0.637607 O\n0.772464 0.611062 0.905556 O\n0.227536 0.888939 0.405556 O\n0.227536 0.388939 0.094444 O\n0.772464 0.111062 0.594443 O\n0.636198 0.720606 0.672170 O\n0.363802 0.779395 0.172170 O\n0.363802 0.279395 0.327830 O\n0.636198 0.220606 0.827829 O\n",
"nsites": 28,
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],
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"density_atomic": 0.11529700275579642,
"volume": 242.85106577579558,
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"formula_full": "Li12 B4 O12",
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"formula_anonymous": "AB3C3",
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"spacegroup": 14
},
{
"id": "jvasp-59126",
"created_at": "2022-09-04T14:38:14.347240Z",
"updated_at": "2022-09-04T14:38:14.347267Z",
"structure_string": "K4 Au4 I12\n1.0\n0.000000 7.175609 0.023096\n9.335499 0.000000 0.000000\n0.000000 -6.699825 -11.458753\nK Au I\n4 4 12\ndirect\n0.182097 0.119475 0.747814 K\n0.817901 0.619475 0.752185 K\n0.817902 0.880525 0.252185 K\n0.182098 0.380525 0.247815 K\n0.500000 0.500000 -0.000000 Au\n0.499999 0.000000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.839514 0.662026 0.035648 I\n0.160485 0.162026 0.464352 I\n0.348060 0.504735 0.764889 I\n0.651938 0.004735 0.735110 I\n0.651939 0.495266 0.235110 I\n0.265576 0.654539 0.462042 I\n0.734423 0.345461 0.537958 I\n0.265576 0.845461 0.962042 I\n0.839513 0.837974 0.535648 I\n0.734423 0.154539 0.037958 I\n0.348061 0.995266 0.264889 I\n0.160485 0.337974 0.964352 I\n",
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"elements": [
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],
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"density": 5.347152643291082,
"density_atomic": 0.026104442220664718,
"volume": 766.1531256227211,
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"formula_full": "K4 Au4 I12",
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},
{
"id": "jvasp-59194",
"created_at": "2022-09-04T14:38:14.504262Z",
"updated_at": "2022-09-04T14:38:14.504298Z",
"structure_string": "Fe6 Si4 O16\n1.0\n0.000000 5.894960 0.042616\n4.833380 0.000000 0.000000\n0.000000 -0.270679 -10.236935\nFe Si O\n6 4 16\ndirect\n0.266404 0.010385 0.727963 Fe\n0.733596 0.510385 0.772036 Fe\n0.266404 0.489615 0.227963 Fe\n0.733596 0.989615 0.272037 Fe\n-0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.245733 0.937343 0.406702 Si\n0.754267 0.437343 0.093298 Si\n0.245733 0.562657 0.906701 Si\n0.754266 0.062657 0.593298 Si\n0.768480 0.726078 0.599555 O\n0.231520 0.273922 0.400444 O\n0.761723 0.310369 0.944204 O\n0.761723 0.189631 0.444204 O\n0.238277 0.689631 0.055795 O\n0.231520 0.226078 0.900444 O\n0.547745 0.306357 0.178213 O\n0.977611 0.270404 0.164095 O\n0.452255 0.693643 0.821787 O\n0.547745 0.193643 0.678212 O\n0.022389 0.770404 0.335905 O\n0.768480 0.773921 0.099555 O\n0.977611 0.229596 0.664095 O\n0.022389 0.729596 0.835904 O\n0.452255 0.806357 0.321787 O\n0.238277 0.810369 0.555795 O\n",
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],
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"density": 4.005292321409044,
"density_atomic": 0.08915683085144524,
"volume": 291.62095323152164,
"volume_molar": 6.75454780356,
"formula_full": "Fe6 Si4 O16",
"formula_reduced": "Fe3(SiO4)2",
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},
{
"id": "jvasp-24834",
"created_at": "2022-09-04T14:38:14.680795Z",
"updated_at": "2022-09-04T14:38:14.680811Z",
"structure_string": "Si12 P4 H36\n1.0\n0.000000 5.997034 -0.078879\n12.662064 0.000000 0.000000\n0.000000 -0.729291 -9.438724\nSi P H\n12 4 36\ndirect\n0.888888 0.887743 0.664150 Si\n0.701091 0.954435 0.196514 Si\n0.701091 0.545565 0.696514 Si\n0.298908 0.045565 0.803485 Si\n0.289823 0.719902 0.379738 Si\n0.710176 0.219902 0.120262 Si\n0.298908 0.454435 0.303485 Si\n0.289823 0.780097 0.879738 Si\n0.888888 0.612256 0.164151 Si\n0.111112 0.112256 0.335849 Si\n0.111112 0.387743 0.835849 Si\n0.710176 0.280097 0.620262 Si\n0.269024 0.888764 0.687637 P\n0.730975 0.388764 0.812362 P\n0.730975 0.111236 0.312363 P\n0.269024 0.611236 0.187637 P\n0.533991 0.441885 0.364772 H\n0.141171 0.054535 0.919621 H\n0.248726 0.368539 0.197377 H\n0.751274 0.868539 0.302622 H\n0.751274 0.631460 0.802622 H\n0.248726 0.131461 0.697377 H\n0.466008 0.941885 0.135228 H\n0.471347 0.228427 0.066347 H\n0.533991 0.058115 0.864771 H\n0.151206 0.680075 0.494710 H\n0.848794 0.180075 0.005290 H\n0.848794 0.319925 0.505290 H\n0.151206 0.819924 0.994710 H\n0.528652 0.728427 0.433653 H\n0.858829 0.554535 0.580378 H\n0.466008 0.558115 0.635228 H\n0.858829 0.945465 0.080379 H\n0.208419 0.393119 0.694099 H\n0.204670 0.825609 0.329730 H\n0.808889 0.980583 0.576876 H\n0.191111 0.480583 0.923124 H\n0.191111 0.019417 0.423124 H\n0.808889 0.519417 0.076876 H\n0.817073 0.787388 0.591399 H\n0.182926 0.287388 0.908601 H\n0.182926 0.212612 0.408601 H\n0.817073 0.712612 0.091399 H\n0.791580 0.893119 0.805900 H\n0.471348 0.271573 0.566347 H\n0.208419 0.106881 0.194100 H\n0.791580 0.606881 0.305900 H\n0.204670 0.674390 0.829730 H\n0.795329 0.174391 0.670270 H\n0.795329 0.325609 0.170270 H\n0.141171 0.445465 0.419621 H\n0.528652 0.771573 0.933653 H\n",
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"volume": 717.4562811448135,
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"formula_full": "Si12 P4 H36",
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"spacegroup": 14
},
{
"id": "jvasp-57297",
"created_at": "2022-09-04T14:38:14.674531Z",
"updated_at": "2022-09-04T14:38:14.674558Z",
"structure_string": "Er4 Mo4 O16 F4\n1.0\n0.000000 5.183504 -0.002452\n12.224342 0.000000 0.000000\n0.000000 -2.617513 -6.088565\nEr Mo O F\n4 4 16 4\ndirect\n0.360891 0.050501 0.199667 Er\n0.360891 0.449499 0.699667 Er\n0.639109 0.949499 0.800334 Er\n0.639109 0.550501 0.300333 Er\n0.076810 0.144228 0.628698 Mo\n0.076810 0.355772 0.128698 Mo\n0.923190 0.644228 0.871303 Mo\n0.923190 0.855772 0.371302 Mo\n0.241552 0.654349 0.096095 O\n0.189755 0.279087 0.705256 O\n0.002270 0.069151 0.837175 O\n0.758448 0.154349 0.403905 O\n0.002270 0.430849 0.337175 O\n0.997730 0.569150 0.662826 O\n0.997730 0.930849 0.162825 O\n0.810245 0.779087 0.794744 O\n0.308945 0.065214 0.537269 O\n0.189755 0.220913 0.205256 O\n0.758448 0.345651 0.903906 O\n0.308944 0.434786 0.037268 O\n0.810245 0.720913 0.294744 O\n0.241552 0.845651 0.596095 O\n0.691055 0.934786 0.462732 O\n0.691056 0.565214 0.962732 O\n0.545112 0.099444 0.963566 F\n0.545111 0.400556 0.463565 F\n0.454888 0.900556 0.036435 F\n0.454888 0.599444 0.536435 F\n",
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},
{
"id": "jvasp-22027",
"created_at": "2022-09-04T14:38:14.683727Z",
"updated_at": "2022-09-04T14:38:14.683748Z",
"structure_string": "Mg6 P4 O16\n1.0\n0.000000 5.117886 0.012960\n8.249468 0.000000 0.000000\n0.000000 -4.566525 -7.618615\nMg P O\n6 4 16\ndirect\n0.511048 0.857225 0.607609 Mg\n0.488950 0.357225 0.892390 Mg\n0.488951 0.142775 0.392390 Mg\n0.511049 0.642776 0.107610 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.160822 0.695293 0.697594 P\n0.839177 0.195293 0.802405 P\n0.160822 0.804708 0.197594 P\n0.839178 0.304707 0.302405 P\n0.814347 0.699103 0.622342 O\n0.236593 0.644841 0.556599 O\n0.763406 0.144841 0.943400 O\n0.763407 0.355159 0.443401 O\n0.236593 0.855159 0.056599 O\n0.185652 0.199103 0.877657 O\n0.315636 0.634987 0.259362 O\n0.694094 0.424809 0.145732 O\n0.684364 0.365013 0.740637 O\n0.315635 0.865013 0.759362 O\n0.305906 0.924810 0.354268 O\n0.814347 0.800897 0.122343 O\n0.694093 0.075191 0.645731 O\n0.305906 0.575191 0.854268 O\n0.684364 0.134987 0.240638 O\n0.185653 0.300897 0.377657 O\n",
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],
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"formula_full": "Mg6 P4 O16",
"formula_reduced": "Mg3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.9284966269230768,
"spacegroup": 14
},
{
"id": "jvasp-9611",
"created_at": "2022-09-04T14:38:14.775902Z",
"updated_at": "2022-09-04T14:38:14.775925Z",
"structure_string": "Sr4 Si4 N8\n1.0\n0.000000 5.539043 0.010519\n7.344466 0.000000 0.000000\n0.000000 -2.317197 -5.509421\nSr Si N\n4 4 8\ndirect\n0.323525 0.074274 0.660227 Sr\n0.176474 0.574275 0.339773 Sr\n0.676474 0.925726 0.339773 Sr\n0.823525 0.425726 0.660227 Sr\n0.930345 0.858121 0.892993 Si\n0.069653 0.141879 0.107007 Si\n0.569653 0.358121 0.107007 Si\n0.430346 0.641880 0.892993 Si\n0.111062 0.720308 0.783284 N\n0.388937 0.220308 0.216715 N\n0.888937 0.279693 0.216715 N\n0.611062 0.779693 0.783284 N\n0.919332 0.088463 0.791311 N\n0.419332 0.411537 0.791311 N\n0.080667 0.911538 0.208689 N\n0.580666 0.588463 0.208689 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Si",
"N"
],
"chemical_system": "N-Si-Sr",
"density": 4.26254593314528,
"density_atomic": 0.07144405256159717,
"volume": 223.95146168682447,
"volume_molar": 8.429170160536275,
"formula_full": "Sr4 Si4 N8",
"formula_reduced": "SrSiN2",
"formula_anonymous": "ABC2",
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"spacegroup": 14
},
{
"id": "jvasp-90814",
"created_at": "2022-09-04T14:38:14.802471Z",
"updated_at": "2022-09-04T14:38:14.802497Z",
"structure_string": "Ag4 O4\n1.0\n0.000000 3.567828 0.000000\n0.015635 0.000000 5.601368\n5.528014 0.000000 -1.781154\nAg O\n4 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500001 0.500000 Ag\n0.169148 0.717392 0.290860 O\n0.669148 0.782609 0.709140 O\n0.830853 0.282609 0.709140 O\n0.330852 0.217392 0.290860 O\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Ag-O",
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"volume": 110.57515671356173,
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"formula_full": "Ag4 O4",
"formula_reduced": "AgO",
"formula_anonymous": "AB",
"energy_above_hull": 0.6107753799999999,
"spacegroup": 14
}
]
}