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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=66",
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"results": [
{
"id": "jvasp-119368",
"created_at": "2022-09-04T14:38:31.577303Z",
"updated_at": "2022-09-04T14:38:31.577326Z",
"structure_string": "Li2 Mn4 P4 H2 O16\n1.0\n5.100326 0.051778 0.818702\n-2.535408 7.941347 0.721813\n-0.370757 -0.123159 8.571202\nLi Mn P H O\n2 4 4 2 16\ndirect\n0.632604 0.318622 0.171503 Li\n0.367396 0.681378 0.828496 Li\n0.760806 0.413099 0.780684 Mn\n0.239193 0.586901 0.219315 Mn\n0.296576 0.110585 0.609656 Mn\n0.703425 0.889416 0.390344 Mn\n0.142893 0.739801 0.562335 P\n0.857108 0.260201 0.437664 P\n0.850327 0.738806 0.061388 P\n0.149673 0.261194 0.938612 P\n0.864222 0.924284 0.864243 H\n0.135777 0.075715 0.135755 H\n0.695874 0.261776 0.604417 O\n0.338589 0.876045 0.641397 O\n0.661411 0.123955 0.358602 O\n0.244131 0.195130 0.098561 O\n0.755869 0.804870 0.901438 O\n0.304125 0.738225 0.395583 O\n0.883060 0.307227 0.979410 O\n0.891432 0.879968 0.168025 O\n0.127048 0.222731 0.453593 O\n0.872953 0.777271 0.546406 O\n0.615170 0.582277 0.131245 O\n0.384830 0.417723 0.868754 O\n0.898334 0.425320 0.330459 O\n0.108568 0.120032 0.831974 O\n0.116940 0.692773 0.020590 O\n0.101665 0.574681 0.669541 O\n",
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"volume_molar": 7.557662949894465,
"formula_full": "Li2 Mn4 P4 H2 O16",
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"formula_anonymous": "ABC2D2E8",
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{
"id": "jvasp-87310",
"created_at": "2022-09-04T14:35:59.230077Z",
"updated_at": "2022-09-04T14:35:59.230097Z",
"structure_string": "Ca4 B10 H4 Cl2 O20\n1.0\n11.470728 0.000000 -0.000103\n0.003282 5.680419 3.166268\n0.003282 -5.680419 3.166268\nCa B H Cl O\n4 10 4 2 20\ndirect\n0.502188 0.756530 0.253390 Ca\n0.002187 0.253390 0.756530 Ca\n0.777006 0.370836 0.321318 Ca\n0.277006 0.321317 0.370836 Ca\n0.061599 0.803268 0.291809 B\n0.561599 0.291809 0.803268 B\n0.336950 0.251090 0.779289 B\n0.836950 0.779290 0.251090 B\n0.225500 0.639353 0.013688 B\n0.725500 0.013688 0.639353 B\n0.271901 0.922328 0.854014 B\n0.771901 0.854014 0.922329 B\n0.264457 0.852308 0.450232 B\n0.764457 0.450233 0.852309 B\n0.512538 0.715088 0.783604 H\n0.012538 0.783603 0.715087 H\n0.543083 -0.009537 -0.046901 H\n0.043083 -0.046902 -0.009537 H\n0.026911 0.393296 0.411543 Cl\n0.526911 0.411543 0.393296 Cl\n0.502587 0.856262 0.949722 O\n0.095912 0.627945 0.061091 O\n0.595912 0.061091 0.627946 O\n0.240856 0.876056 0.028311 O\n0.740856 0.028311 0.876057 O\n0.254829 0.427885 0.784190 O\n0.754829 0.784190 0.427885 O\n0.450298 0.368431 0.872204 O\n0.950298 0.872204 0.368431 O\n0.292833 0.161915 0.935813 O\n0.293239 0.654538 0.212072 O\n0.793238 0.212072 0.654538 O\n0.143723 0.941850 0.466893 O\n0.643723 0.466893 0.941850 O\n0.347709 0.051643 0.524487 O\n0.847709 0.524487 0.051644 O\n0.274592 0.752322 0.611203 O\n0.774592 0.611203 0.752322 O\n0.792833 0.935813 0.161915 O\n0.002587 0.949722 0.856262 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"B",
"H",
"Cl",
"O"
],
"chemical_system": "B-Ca-Cl-H-O",
"density": 2.669570164343686,
"density_atomic": 0.0969417748779597,
"volume": 412.6188121721118,
"volume_molar": 6.212121417811147,
"formula_full": "Ca4 B10 H4 Cl2 O20",
"formula_reduced": "Ca2B5H2ClO10",
"formula_anonymous": "AB2C2D5E10",
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"spacegroup": 9
},
{
"id": "jvasp-98336",
"created_at": "2022-09-04T14:35:56.273561Z",
"updated_at": "2022-09-04T14:35:56.273580Z",
"structure_string": "Mg4 Cu4 P4 H24 O30\n1.0\n10.968015 2.536779 -1.954615\n-10.968015 2.536779 1.954615\n-0.070656 0.000000 10.481758\nMg Cu P H O\n4 4 4 24 30\ndirect\n0.962330 0.723827 0.965494 Mg\n0.723827 0.962330 0.534506 Mg\n0.037670 0.276173 0.034506 Mg\n0.276173 0.037671 0.465494 Mg\n0.102109 0.609449 0.867425 Cu\n0.609448 0.102109 0.632575 Cu\n0.897891 0.390552 0.132575 Cu\n0.390552 0.897891 0.367425 Cu\n0.827358 0.519335 0.273675 P\n0.519335 0.827358 0.226325 P\n0.172642 0.480666 0.726325 P\n0.480666 0.172643 0.773675 P\n0.536745 0.573787 0.641282 H\n0.767098 0.841510 0.232042 H\n0.841510 0.767098 0.267958 H\n0.232903 0.158490 0.767958 H\n0.206110 0.219773 0.432867 H\n0.219773 0.206110 0.067133 H\n0.793890 0.780228 0.567133 H\n0.780228 0.793890 0.932867 H\n0.463255 0.426214 0.358718 H\n0.426214 0.463256 0.141282 H\n0.573787 0.536745 0.858718 H\n0.158490 0.232903 0.732042 H\n0.836331 0.026395 0.830125 H\n0.973605 0.163670 0.330125 H\n0.163670 0.973605 0.169875 H\n0.786257 0.575677 0.587498 H\n0.575677 0.786257 0.912502 H\n0.213743 0.424324 0.412502 H\n0.424324 0.213743 0.087498 H\n0.130988 0.669521 0.573011 H\n0.026395 0.836331 0.669875 H\n0.669520 0.130988 0.926990 H\n0.869013 0.330480 0.426990 H\n0.330480 0.869013 0.073011 H\n0.843245 0.269880 0.976539 O\n0.156756 0.730120 0.023461 O\n0.269880 0.843245 0.523461 O\n0.730120 0.156756 0.476539 O\n0.223217 0.048733 0.078628 O\n0.253052 0.315889 0.088619 O\n0.776784 0.951268 0.921372 O\n0.951268 0.776784 0.578628 O\n0.746948 0.684112 0.911381 O\n0.684112 0.746948 0.588619 O\n0.275046 0.585842 0.141194 O\n0.315889 0.253052 0.411381 O\n0.048732 0.223217 0.421372 O\n0.585842 0.275046 0.358806 O\n-0.010555 0.216709 0.688091 O\n0.414159 0.724955 0.641194 O\n0.783292 0.010555 0.188091 O\n0.010555 0.783292 0.311910 O\n0.216708 -0.010555 0.811909 O\n0.563021 0.009160 0.211264 O\n0.009160 0.563021 0.288736 O\n0.436979 0.990840 0.788736 O\n0.990840 0.436980 0.711264 O\n0.470910 0.740701 0.371333 O\n0.740701 0.470910 0.128667 O\n0.529090 0.259300 0.628667 O\n0.259300 0.529091 0.871333 O\n0.306718 0.306718 0.750000 O\n0.724955 0.414159 0.858806 O\n0.693283 0.693283 0.250000 O\n",
"nsites": 66,
"nelements": 5,
"elements": [
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"Cu",
"P",
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"O"
],
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"density": 2.791824940995568,
"density_atomic": 0.11328989368035189,
"volume": 582.5762374375546,
"volume_molar": 5.315691068606267,
"formula_full": "Mg4 Cu4 P4 H24 O30",
"formula_reduced": "Mg2Cu2P2(H4O5)3",
"formula_anonymous": "A2B2C2D12E15",
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"spacegroup": 15
},
{
"id": "jvasp-44713",
"created_at": "2022-09-04T14:38:07.131549Z",
"updated_at": "2022-09-04T14:38:07.131579Z",
"structure_string": "Li4 Mn2 Fe2 P4 O16\n1.0\n0.000000 4.704613 -0.002980\n5.953619 0.000000 0.000000\n0.000000 -0.029162 -10.169849\nLi Mn Fe P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.516372 0.250000 0.226101 Mn\n0.483628 0.750000 0.773899 Mn\n0.983610 0.250000 0.723067 Fe\n0.016390 0.750000 0.276933 Fe\n0.077963 0.250000 0.414955 P\n0.411478 0.250000 0.899202 P\n0.588522 0.750000 0.100798 P\n0.922037 0.750000 0.585045 P\n0.214275 0.457928 0.342665 O\n0.246596 0.750000 0.587841 O\n0.261842 0.750000 0.104934 O\n0.267104 0.044260 0.828894 O\n0.267104 0.455741 0.828894 O\n0.295401 0.250000 0.041779 O\n0.704599 0.750000 0.958222 O\n0.785725 0.957928 0.657335 O\n0.732896 0.955741 0.171106 O\n0.738158 0.250000 0.895066 O\n0.753403 0.250000 0.412159 O\n0.785725 0.542072 0.657335 O\n0.214275 0.042072 0.342665 O\n0.791249 0.750000 0.443899 O\n0.732896 0.544260 0.171106 O\n0.208751 0.250000 0.556101 O\n",
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],
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"density_atomic": 0.09829644127328455,
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"formula_full": "Li4 Mn2 Fe2 P4 O16",
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{
"id": "jvasp-86093",
"created_at": "2022-09-04T14:35:40.779406Z",
"updated_at": "2022-09-04T14:35:40.779433Z",
"structure_string": "Rb1 La1 Si1 C4 N8\n1.0\n5.935384 0.000037 3.361248\n2.967867 5.977004 1.680417\n0.022499 -0.000249 6.881829\nRb La Si C N\n1 1 1 4 8\ndirect\n0.000011 -0.000001 0.000000 Rb\n0.750002 0.500001 0.500000 La\n0.249997 0.500002 0.499996 Si\n0.558462 0.082515 0.544098 C\n0.897439 0.544090 0.917496 C\n0.359024 0.455908 0.082507 C\n0.185076 0.917486 0.455904 C\n0.517059 0.389767 0.898106 N\n0.994564 0.469745 0.722513 N\n0.282906 0.722516 0.530278 N\n0.535702 0.277482 0.469717 N\n0.093197 0.101866 0.389735 N\n0.584799 0.898135 0.610268 N\n0.186820 0.530261 0.277494 N\n0.804944 0.610226 0.101893 N\n",
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"elements": [
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],
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"density_atomic": 0.06155469405796815,
"volume": 243.68572096019176,
"volume_molar": 9.783398085495712,
"formula_full": "Rb1 La1 Si1 C4 N8",
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"formula_anonymous": "ABCD4E8",
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{
"id": "jvasp-28624",
"created_at": "2022-09-04T14:38:09.037639Z",
"updated_at": "2022-09-04T14:38:09.037665Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.408458 -0.000004 -0.000012\n-1.704233 2.951807 -0.000012\n-0.000120 -0.000211 36.382649\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333333 0.666674 0.331082 Te\n0.333358 0.666704 0.709715 Te\n0.333334 0.666659 0.227443 Te\n0.333336 0.666660 0.606740 Te\n0.333324 0.666651 0.096601 Mo\n0.333336 0.666671 0.468789 Mo\n0.666680 0.333350 0.658270 Mo\n0.666666 0.333335 0.279295 W\n0.666661 0.333323 0.423503 Se\n0.666675 0.333354 0.514066 Se\n0.666654 0.333310 0.055380 S\n0.666659 0.333325 0.137868 S\n",
"nsites": 12,
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],
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"density_atomic": 0.03278244328527598,
"volume": 366.04959232522253,
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{
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"created_at": "2022-09-04T14:38:04.804191Z",
"updated_at": "2022-09-04T14:38:04.804220Z",
"structure_string": "Na4 Al2 P2 C2 O14\n1.0\n0.000000 5.136402 -0.022426\n6.361425 0.000000 0.000000\n0.000000 -0.235279 -8.831241\nNa Al P C O\n4 2 2 2 14\ndirect\n0.772547 0.508130 0.224404 Na\n0.772547 0.991871 0.224404 Na\n0.227452 0.491871 0.775596 Na\n0.227452 0.008129 0.775596 Na\n0.217786 0.250000 0.352313 Al\n0.782213 0.750001 0.647687 Al\n0.278836 0.750001 0.429780 P\n0.721164 0.250000 0.570220 P\n0.292440 0.250000 0.085435 C\n0.707559 0.750001 0.914565 C\n0.526884 0.750001 0.804950 O\n0.790917 0.052687 0.663083 O\n0.790917 0.447314 0.663083 O\n0.123681 0.750001 0.578378 O\n0.422415 0.250000 0.530389 O\n0.577585 0.750001 0.469612 O\n0.058547 0.250000 0.141242 O\n0.209082 0.552687 0.336917 O\n0.209082 0.947314 0.336917 O\n0.473115 0.250000 0.195051 O\n0.941453 0.750001 0.858758 O\n0.656158 0.750001 0.052464 O\n0.876319 0.250000 0.421623 O\n0.343841 0.250000 0.947536 O\n",
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"elements": [
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],
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{
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"created_at": "2022-09-04T14:35:50.439646Z",
"updated_at": "2022-09-04T14:35:50.439672Z",
"structure_string": "Er1 H9 C5 N2 O8\n1.0\n5.292627 3.512781 -1.872938\n-5.292627 3.512781 1.872938\n-0.020797 -0.000000 6.501828\nEr H C N O\n1 9 5 2 8\ndirect\n0.998675 0.998675 0.000000 Er\n0.202554 0.647198 0.400124 H\n0.647198 0.202554 0.599876 H\n0.497231 0.748832 0.527166 H\n0.748831 0.497231 0.472835 H\n0.807412 0.439519 0.888671 H\n0.439519 0.807412 0.111329 H\n0.086293 0.086293 0.500000 H\n0.449172 0.470938 0.823005 H\n0.470938 0.449173 0.176995 H\n0.472652 0.293752 0.296867 C\n0.293751 0.472652 0.703133 C\n0.930270 0.930271 0.500000 C\n0.459355 0.934253 0.957060 C\n0.934253 0.459356 0.042940 C\n0.331842 0.636933 0.530153 N\n0.636933 0.331843 0.469847 N\n0.017638 0.310337 0.130045 O\n0.310337 0.017638 0.869955 O\n0.985214 0.635273 0.121578 O\n0.635273 0.985214 0.878422 O\n0.839615 0.849721 0.669582 O\n0.849721 0.839615 0.330418 O\n0.098894 0.327024 0.734717 O\n0.327024 0.098894 0.265283 O\n",
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"elements": [
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],
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"density": 2.698198480822445,
"density_atomic": 0.10352471422716455,
"volume": 241.48823000025322,
"volume_molar": 5.817104451779119,
"formula_full": "Er1 H9 C5 N2 O8",
"formula_reduced": "ErH9C5(NO4)2",
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},
{
"id": "jvasp-28535",
"created_at": "2022-09-04T14:37:30.468488Z",
"updated_at": "2022-09-04T14:37:30.468522Z",
"structure_string": "Te2 Mo1 W2 Se2 S2\n1.0\n3.362222 -0.000000 -0.000000\n-1.681111 2.901516 -0.176742\n-0.000000 -1.283682 20.182690\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.386156 0.772312 0.437893 Te\n0.303386 0.606775 0.247506 Te\n0.166083 0.332167 0.005578 Mo\n0.488835 0.977670 0.692782 W\n0.678418 0.356837 0.342667 W\n0.786528 0.573056 0.609390 Se\n0.858244 0.716487 0.775942 Se\n0.466683 0.933364 0.930085 S\n0.532272 0.064542 0.080999 S\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Mo-S-Se-Te-W",
"density": 7.965887495023552,
"density_atomic": 0.045887876338856874,
"volume": 196.13023565396492,
"volume_molar": 13.123598737779414,
"formula_full": "Te2 Mo1 W2 Se2 S2",
"formula_reduced": "Te2MoW2(SeS)2",
"formula_anonymous": "AB2C2D2E2",
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"spacegroup": 8
},
{
"id": "jvasp-28660",
"created_at": "2022-09-04T14:37:16.521616Z",
"updated_at": "2022-09-04T14:37:16.521642Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.418600 0.000100 -0.000062\n-1.709213 2.960574 0.000035\n-0.000721 0.000062 39.580041\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333362 0.666671 0.705723 Te\n0.666650 0.333313 0.421535 Te\n0.666677 0.333317 0.516091 Te\n0.333334 0.666667 0.611129 Te\n0.333413 0.666745 0.094030 Mo\n0.333339 0.666653 0.468811 Mo\n0.666639 0.333281 0.281571 W\n0.666667 0.333321 0.658606 W\n0.333327 0.666642 0.323160 Se\n0.333302 0.666634 0.239738 Se\n0.666634 0.333372 0.056404 S\n0.666657 0.333375 0.131947 S\n",
"nsites": 12,
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"elements": [
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],
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"volume": 400.59708328052886,
"volume_molar": 20.10376686300656,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
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"spacegroup": 156
},
{
"id": "jvasp-8418",
"created_at": "2022-09-04T14:37:07.132554Z",
"updated_at": "2022-09-04T14:37:07.132582Z",
"structure_string": "Ba1 Mn1 Al1 Cu1 O5\n1.0\n3.732152 0.000000 0.000000\n0.000000 3.732152 0.000000\n0.000000 0.000000 7.757984\nBa Mn Al Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.002751 Ba\n0.500000 0.500000 0.316852 Mn\n0.000000 0.000000 0.544946 Al\n0.500000 0.500000 0.732067 Cu\n0.500000 0.000000 0.378586 O\n0.000000 0.500000 0.378586 O\n0.500000 0.000000 0.694834 O\n0.000000 0.500000 0.694834 O\n0.500000 0.500000 0.068647 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cu-Mn-O",
"density": 5.574891005977465,
"density_atomic": 0.08328657133509468,
"volume": 108.06063757612803,
"volume_molar": 7.23062633443098,
"formula_full": "Ba1 Mn1 Al1 Cu1 O5",
"formula_reduced": "BaMnAlCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.0595582179310346,
"spacegroup": 99
},
{
"id": "jvasp-51399",
"created_at": "2022-09-04T14:36:48.806576Z",
"updated_at": "2022-09-04T14:36:48.806607Z",
"structure_string": "Na2 Ca2 Si2 H2 O8\n1.0\n0.000000 5.436955 -0.023080\n7.060032 0.000000 0.000000\n0.000000 -2.453215 -4.906570\nNa Ca Si H O\n2 2 2 2 8\ndirect\n0.364169 0.765371 0.746998 Na\n0.635829 0.265371 0.253002 Na\n0.996474 0.514206 0.006604 Ca\n0.003524 0.014206 0.993396 Ca\n0.656022 0.754908 0.374207 Si\n0.343976 0.254909 0.625793 Si\n0.964523 -0.000461 0.467610 H\n0.035475 0.499539 0.532390 H\n0.323358 0.763635 0.196851 O\n0.676640 0.263635 0.803149 O\n0.763638 0.761310 0.704848 O\n0.236360 0.261310 0.295152 O\n0.789250 0.572153 0.289323 O\n0.210748 0.072153 0.710677 O\n0.790648 0.951876 0.296242 O\n0.209350 0.451876 0.703757 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Si",
"H",
"O"
],
"chemical_system": "Ca-H-Na-O-Si",
"density": 2.7477953411489313,
"density_atomic": 0.08477324029856785,
"volume": 188.7388041750989,
"volume_molar": 7.103822785103258,
"formula_full": "Na2 Ca2 Si2 H2 O8",
"formula_reduced": "NaCaSiHO4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.7437990025,
"spacegroup": 4
}
]
}