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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4193",
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"results": [
{
"id": "jvasp-56663",
"created_at": "2022-09-04T14:38:33.700600Z",
"updated_at": "2022-09-04T14:38:33.700632Z",
"structure_string": "Li4 Mn2 Si2 O8\n1.0\n4.995106 0.000000 0.000000\n0.000000 5.355460 0.000000\n0.000000 0.000000 6.318914\nLi Mn Si O\n4 2 2 8\ndirect\n0.556401 0.330370 0.250577 Li\n0.556401 0.330370 0.749423 Li\n0.056401 0.669630 0.750576 Li\n0.056401 0.669630 0.249423 Li\n0.558512 0.826837 0.000000 Mn\n0.058511 0.173163 0.500000 Mn\n0.049960 0.177682 0.000000 Si\n0.549961 0.822318 0.500000 Si\n0.718682 0.182889 0.000000 O\n0.163367 0.321855 0.213720 O\n0.663367 0.678145 0.713720 O\n0.218682 0.817111 0.500000 O\n0.148353 0.881206 0.000000 O\n0.648353 0.118794 0.500000 O\n0.663367 0.678145 0.286279 O\n0.163367 0.321855 0.786279 O\n",
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"elements": [
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"volume": 169.03783950961187,
"volume_molar": 6.362310395582326,
"formula_full": "Li4 Mn2 Si2 O8",
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"formula_anonymous": "ABC2D4",
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},
{
"id": "jvasp-112151",
"created_at": "2022-09-04T14:38:45.614125Z",
"updated_at": "2022-09-04T14:38:45.614146Z",
"structure_string": "Zr1 H8 C6 O4\n1.0\n3.767007 0.061002 0.175351\n1.156448 4.439529 0.908850\n0.161270 0.004204 9.427699\nZr H C O\n1 8 6 4\ndirect\n0.033729 0.842658 0.303946 Zr\n0.790189 0.205352 0.922241 H\n0.326082 0.308947 0.875946 H\n0.818955 0.736437 0.858392 H\n0.336805 0.869238 0.858361 H\n0.066994 0.333493 0.671624 H\n0.665400 0.227555 0.649135 H\n0.272421 0.726929 0.634086 H\n0.636898 0.893336 0.606104 H\n0.535532 0.387695 0.922426 C\n0.566417 0.687866 0.829532 C\n0.557231 0.694423 0.666165 C\n0.877637 0.448948 0.454185 C\n0.799168 0.412144 0.616706 C\n0.412848 0.389299 0.078103 C\n0.191016 0.626259 0.111149 O\n0.962148 0.167515 0.413250 O\n0.585787 0.655264 0.366528 O\n0.516141 0.139220 0.168993 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
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"volume": 156.8711296052853,
"volume_molar": 4.972105387701217,
"formula_full": "Zr1 H8 C6 O4",
"formula_reduced": "ZrH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
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"spacegroup": 1
},
{
"id": "jvasp-116846",
"created_at": "2022-09-04T14:38:45.676332Z",
"updated_at": "2022-09-04T14:38:45.676358Z",
"structure_string": "Li4 Mn4 Cr2 O12\n1.0\n4.924575 -0.051879 0.000000\n-2.399163 4.300947 0.000000\n-0.000000 -0.000000 9.997252\nLi Mn Cr O\n4 4 2 12\ndirect\n0.660677 0.160678 0.750000 Li\n0.839322 0.339322 0.250000 Li\n0.160678 0.660678 0.750000 Li\n0.339322 0.839323 0.250000 Li\n0.837303 0.162696 0.500000 Mn\n0.662696 0.337304 -0.000000 Mn\n0.337304 0.662696 -0.000000 Mn\n0.162697 0.837305 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.160239 0.504299 0.393131 O\n0.837825 0.837825 0.396356 O\n0.995700 0.339762 0.893130 O\n0.662175 0.662175 0.896356 O\n0.337825 0.337825 0.103644 O\n0.660238 0.004299 0.106869 O\n0.839761 0.495701 0.606869 O\n0.504299 0.160238 0.393131 O\n0.339762 0.995702 0.893130 O\n0.495701 0.839762 0.606869 O\n0.162175 0.162175 0.603643 O\n0.004300 0.660239 0.106869 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.287417348007385,
"density_atomic": 0.10451264835538324,
"volume": 210.50083742200783,
"volume_molar": 5.762116695696394,
"formula_full": "Li4 Mn4 Cr2 O12",
"formula_reduced": "Li2Mn2CrO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.0172057166144195,
"spacegroup": 64
},
{
"id": "jvasp-112180",
"created_at": "2022-09-04T14:38:45.095455Z",
"updated_at": "2022-09-04T14:38:45.095490Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.944380 -0.161970 -0.412784\n-1.323377 4.344031 -0.436040\n0.200221 -0.030658 10.622988\nCd H C O\n1 10 7 4\ndirect\n0.644262 0.597690 0.173070 Cd\n0.719478 0.510911 0.629963 H\n0.514446 0.430599 0.849310 H\n0.143745 0.512868 0.778971 H\n0.001445 0.994295 0.625595 H\n0.415510 0.976448 0.691040 H\n0.420430 0.947830 0.993929 H\n0.849045 0.872968 0.838402 H\n0.781528 0.339975 0.424920 H\n0.626134 0.980636 0.487402 H\n0.309304 0.502254 0.549653 H\n0.254907 0.054505 0.350337 C\n0.552624 0.179522 0.460264 C\n0.462919 0.352339 0.578913 C\n0.270280 0.139245 0.670927 C\n0.242546 0.318527 0.797709 C\n0.000411 0.113020 0.878400 C\n0.923868 0.226548 0.990876 C\n0.077797 0.510834 0.054233 O\n0.013596 0.790664 0.354669 O\n0.246670 0.201872 0.255633 O\n0.645443 0.042785 0.053125 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
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"density": 2.4953587295127493,
"density_atomic": 0.12219074879161233,
"volume": 180.04636371874145,
"volume_molar": 4.9284752074564455,
"formula_full": "Cd1 H10 C7 O4",
"formula_reduced": "CdH10C7O4",
"formula_anonymous": "AB4C7D10",
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"spacegroup": 1
},
{
"id": "jvasp-21116",
"created_at": "2022-09-04T14:38:34.730883Z",
"updated_at": "2022-09-04T14:38:34.730898Z",
"structure_string": "Be6 Al4 Si12 O36\n1.0\n4.651785 -8.057128 -0.000000\n4.651785 8.057128 0.000000\n0.000000 -0.000000 9.279567\nBe Al Si O\n6 4 12 36\ndirect\n0.500000 0.000000 0.750000 Be\n0.500001 0.500001 0.250000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.000000 0.250000 Be\n0.500001 0.500001 0.750000 Be\n0.000000 0.500000 0.750000 Be\n0.333333 0.666668 0.750000 Al\n0.666668 0.333333 0.750000 Al\n0.666668 0.333333 0.250000 Al\n0.333333 0.666668 0.250000 Al\n0.115796 0.727826 0.500000 Si\n0.612031 0.884206 0.500000 Si\n0.727826 0.612031 0.500000 Si\n0.272175 0.884205 0.000000 Si\n0.884206 0.612031 0.000000 Si\n0.272175 0.387970 0.500000 Si\n0.612031 0.727826 0.000000 Si\n0.115796 0.387970 0.000000 Si\n0.387970 0.115796 0.500000 Si\n0.884205 0.272175 0.500000 Si\n0.727826 0.115796 0.000000 Si\n0.387970 0.272175 0.000000 Si\n0.500785 0.646013 0.854389 O\n0.145228 0.499216 0.854389 O\n0.499216 0.145228 0.645612 O\n0.854773 0.353988 0.645612 O\n0.646013 0.145228 0.854389 O\n0.646013 0.500785 0.645612 O\n0.353988 0.499216 0.645612 O\n0.646013 0.145228 0.145612 O\n0.145228 0.646013 0.645612 O\n0.145228 0.499216 0.145612 O\n0.500785 0.646013 0.145612 O\n0.499216 0.353988 0.145612 O\n0.854773 0.500785 0.145612 O\n0.500785 0.854773 0.354389 O\n0.499216 0.353988 0.854389 O\n0.500785 0.854773 0.645612 O\n0.854773 0.500785 0.854389 O\n0.310604 0.236827 0.500000 O\n0.353988 0.499216 0.354389 O\n0.236828 0.926225 0.500000 O\n0.926225 0.689397 0.500000 O\n0.073776 0.310604 0.500000 O\n0.689397 0.763174 0.500000 O\n0.926225 0.236828 0.000000 O\n0.763173 0.073776 0.500000 O\n0.145228 0.646013 0.354389 O\n0.236827 0.310604 0.000000 O\n0.689397 0.926225 0.000000 O\n0.310604 0.073776 0.000000 O\n0.763174 0.689397 0.000000 O\n0.073776 0.763173 0.000000 O\n0.854773 0.353988 0.354389 O\n0.499216 0.145228 0.354389 O\n0.646013 0.500785 0.354389 O\n0.353988 0.854773 0.854389 O\n0.353988 0.854773 0.145612 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"Be",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Be-O-Si",
"density": 2.5662645830223463,
"density_atomic": 0.0833816315880016,
"volume": 695.5968466362566,
"volume_molar": 7.222382970095983,
"formula_full": "Be6 Al4 Si12 O36",
"formula_reduced": "Be3Al2(SiO3)6",
"formula_anonymous": "A2B3C6D18",
"energy_above_hull": 3.045590637931034,
"spacegroup": 192
},
{
"id": "jvasp-24951",
"created_at": "2022-09-04T14:38:30.798672Z",
"updated_at": "2022-09-04T14:38:30.798687Z",
"structure_string": "Rb2 Na1 Fe1 F6\n1.0\n5.113146 -0.000000 2.952076\n1.704382 4.820720 2.952076\n0.000000 0.000000 5.904153\nRb Na Fe F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.226228 0.773771 0.773772 F\n0.226228 0.773771 0.226229 F\n0.773772 0.226229 0.773771 F\n0.226229 0.226229 0.773771 F\n0.773772 0.226229 0.226229 F\n0.773772 0.773771 0.226229 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Na",
"Fe",
"F"
],
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"density": 4.1505655381611755,
"density_atomic": 0.06871353566582634,
"volume": 145.53173407686182,
"volume_molar": 8.764125876577506,
"formula_full": "Rb2 Na1 Fe1 F6",
"formula_reduced": "Rb2NaFeF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-23052",
"created_at": "2022-09-04T14:38:30.803134Z",
"updated_at": "2022-09-04T14:38:30.803159Z",
"structure_string": "Li6 Ga6 Si6 O24\n1.0\n8.088988 -0.000969 -2.604338\n-3.574221 7.256490 -2.604339\n-0.000603 -0.000969 8.497899\nLi Ga Si O\n6 6 6 24\ndirect\n0.210049 0.434551 0.607161 Li\n0.724755 0.126792 0.893393 Li\n0.126793 0.893393 0.724755 Li\n0.893394 0.724755 0.126792 Li\n0.434552 0.607161 0.210048 Li\n0.607161 0.210048 0.434552 Li\n0.768603 0.944624 0.534143 Ga\n0.459453 0.234184 0.054070 Ga\n0.054070 0.459452 0.234184 Ga\n0.234184 0.054070 0.459452 Ga\n0.944625 0.534143 0.768602 Ga\n0.534144 0.768602 0.944624 Ga\n0.796388 0.567200 0.387829 Si\n0.387830 0.796387 0.567200 Si\n0.567200 0.387829 0.796387 Si\n0.097609 0.280879 0.873459 Si\n0.873459 0.097609 0.280879 Si\n0.280879 0.873459 0.097609 Si\n0.989196 0.975469 0.308444 O\n0.702762 0.376741 0.694441 O\n0.354823 0.299386 0.633884 O\n0.633884 0.354823 0.299386 O\n0.006946 0.060707 0.727165 O\n0.580495 0.262308 0.909738 O\n0.262309 0.909738 0.580495 O\n0.909738 0.580494 0.262308 O\n0.404975 0.758348 0.085323 O\n0.758348 0.085324 0.404975 O\n0.085324 0.404975 0.758348 O\n0.021514 0.310705 0.353853 O\n0.310705 0.353853 0.021513 O\n0.353853 0.021514 0.310705 O\n0.060707 0.727165 0.006945 O\n0.636536 0.603389 0.939313 O\n0.603390 0.939313 0.636535 O\n0.376742 0.694441 0.702762 O\n0.694442 0.702762 0.376741 O\n0.299386 0.633884 0.354823 O\n0.308445 0.989195 0.975469 O\n0.975470 0.308444 0.989195 O\n0.727165 0.006945 0.060707 O\n0.939313 0.636535 0.603389 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
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"Ga",
"Si",
"O"
],
"chemical_system": "Ga-Li-O-Si",
"density": 3.371052280796621,
"density_atomic": 0.08421280096608659,
"volume": 498.7365283920892,
"volume_molar": 7.151098990787852,
"formula_full": "Li6 Ga6 Si6 O24",
"formula_reduced": "LiGaSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 146
},
{
"id": "jvasp-111546",
"created_at": "2022-09-04T14:38:41.070704Z",
"updated_at": "2022-09-04T14:38:41.070729Z",
"structure_string": "Mg2 Mn3 Ni1 S8\n1.0\n6.133347 0.032492 3.610878\n2.081096 5.769485 3.610722\n0.047385 0.033344 7.117139\nMg Mn Ni S\n2 3 1 8\ndirect\n0.876732 0.876719 0.876730 Mg\n0.123271 0.123278 0.123271 Mg\n0.500000 0.500001 -0.000000 Mn\n0.000001 0.499999 0.500000 Mn\n0.500001 -0.000001 0.500001 Mn\n0.500003 0.499997 0.500000 Ni\n0.737964 0.737975 0.737965 S\n0.263616 0.263634 0.704960 S\n0.263625 0.704963 0.263631 S\n0.704960 0.263631 0.263618 S\n0.736379 0.295034 0.736371 S\n0.295044 0.736366 0.736380 S\n0.262039 0.262023 0.262035 S\n0.736387 0.736363 0.295040 S\n",
"nsites": 14,
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"elements": [
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"Mn",
"Ni",
"S"
],
"chemical_system": "Mg-Mn-Ni-S",
"density": 3.5127240643133057,
"density_atomic": 0.05602282154085446,
"volume": 249.89815962394087,
"volume_molar": 10.749442092288005,
"formula_full": "Mg2 Mn3 Ni1 S8",
"formula_reduced": "Mg2Mn3NiS8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.345045873152709,
"spacegroup": 166
},
{
"id": "jvasp-112423",
"created_at": "2022-09-04T14:38:40.333021Z",
"updated_at": "2022-09-04T14:38:40.333035Z",
"structure_string": "Rb2 Mo1 I6 O18\n1.0\n7.550454 -0.049572 -0.988798\n-1.120341 7.467037 -0.988798\n-0.042973 -0.049572 7.614803\nRb Mo I O\n2 1 6 18\ndirect\n0.166762 0.166762 0.166762 Rb\n0.833238 0.833239 0.833238 Rb\n0.500000 0.500000 0.500000 Mo\n0.706496 0.123073 0.340730 I\n0.659270 0.293504 0.876927 I\n0.293504 0.876928 0.659269 I\n0.123073 0.340731 0.706496 I\n0.340731 0.706497 0.123073 I\n0.876927 0.659270 0.293503 I\n0.072741 0.096567 0.687849 O\n0.304696 0.321037 0.553737 O\n0.927259 0.903434 0.312150 O\n0.695304 0.678964 0.446262 O\n0.687849 0.072741 0.096567 O\n0.606464 0.088775 0.706475 O\n0.393536 0.911225 0.293524 O\n0.706475 0.606465 0.088775 O\n0.553737 0.304696 0.321036 O\n0.293525 0.393536 0.911224 O\n0.321037 0.553738 0.304696 O\n0.903433 0.312151 0.927259 O\n0.446264 0.695305 0.678963 O\n0.088775 0.706476 0.606464 O\n0.096567 0.687850 0.072740 O\n0.911225 0.293525 0.393535 O\n0.678964 0.446263 0.695304 O\n0.312151 0.927260 0.903433 O\n",
"nsites": 27,
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"elements": [
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"I",
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],
"chemical_system": "I-Mo-O-Rb",
"density": 5.105092587376013,
"density_atomic": 0.06306177246992976,
"volume": 428.15161931698987,
"volume_molar": 9.549590067217956,
"formula_full": "Rb2 Mo1 I6 O18",
"formula_reduced": "Rb2Mo(IO3)6",
"formula_anonymous": "AB2C6D18",
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"spacegroup": 148
},
{
"id": "jvasp-112920",
"created_at": "2022-09-04T14:38:45.276954Z",
"updated_at": "2022-09-04T14:38:45.276983Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.839562 0.000000 0.000000\n-0.000000 7.211195 3.602661\n0.000000 -0.164621 9.651550\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.835027 0.830600 Li\n0.500000 0.495902 0.510600 Li\n0.500000 0.169248 0.157889 Li\n0.000000 0.485260 0.988983 Li\n0.000000 0.178350 0.674199 Li\n0.000000 0.836720 0.335827 Li\n0.500000 0.333346 0.832126 Li\n0.000000 0.010142 0.997108 Mn\n0.000000 0.658175 0.668933 Mn\n0.000000 0.333809 0.332004 Mn\n0.500000 0.663291 0.166955 Mn\n0.500000 0.001130 0.502108 Co\n0.500000 0.071812 0.849533 O\n0.500000 0.757193 0.511834 O\n0.500000 0.416183 0.176582 O\n0.000000 0.747863 0.014662 O\n0.000000 0.437441 0.662294 O\n0.000000 0.086479 0.350093 O\n0.500000 0.594714 0.817047 O\n0.500000 0.249998 0.486273 O\n0.500000 0.909253 0.157009 O\n0.000000 0.229253 0.004565 O\n0.000000 0.916880 0.651068 O\n0.000000 0.582540 0.321704 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.326110143549675,
"density_atomic": 0.12041220782451949,
"volume": 199.31533881494772,
"volume_molar": 5.001270941544612,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.785903827729885,
"spacegroup": 6
},
{
"id": "jvasp-44393",
"created_at": "2022-09-04T14:38:30.793809Z",
"updated_at": "2022-09-04T14:38:30.793834Z",
"structure_string": "Li4 Ni6 Sb2 O16\n1.0\n2.910403 -5.040967 -0.000000\n2.910403 5.040967 -0.000000\n-0.000000 0.000000 9.513782\nLi Ni Sb O\n4 6 2 16\ndirect\n0.666667 0.333332 0.096211 Li\n0.000000 0.000000 0.010021 Li\n0.000000 0.000000 0.510021 Li\n0.333332 0.666667 0.596211 Li\n0.163628 0.338426 0.285504 Ni\n0.174798 0.836372 0.285504 Ni\n0.661573 0.825201 0.285504 Ni\n0.825201 0.661573 0.785504 Ni\n0.338426 0.163628 0.785504 Ni\n0.836372 0.174798 0.785504 Ni\n0.666667 0.333332 0.511909 Sb\n0.333332 0.666667 0.011909 Sb\n0.178727 0.855828 0.906792 O\n0.144171 0.322898 0.906792 O\n0.333332 0.666667 0.379860 O\n0.510825 0.969916 0.156927 O\n0.030083 0.540910 0.156927 O\n0.855828 0.178727 0.406792 O\n0.969916 0.510825 0.656927 O\n0.489173 0.459089 0.656927 O\n0.821272 0.677100 0.406792 O\n0.000000 0.000000 0.200430 O\n0.000000 0.000000 0.700430 O\n0.666667 0.333332 0.879860 O\n0.459089 0.489173 0.156927 O\n0.322898 0.144171 0.406792 O\n0.540910 0.030083 0.656927 O\n0.677100 0.821272 0.906792 O\n",
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"elements": [
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],
"chemical_system": "Li-Ni-O-Sb",
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"density_atomic": 0.10030159891076301,
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"volume_molar": 6.004032662886877,
"formula_full": "Li4 Ni6 Sb2 O16",
"formula_reduced": "Li2Ni3SbO8",
"formula_anonymous": "AB2C3D8",
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{
"id": "jvasp-9293",
"created_at": "2022-09-04T14:38:34.773115Z",
"updated_at": "2022-09-04T14:38:34.773133Z",
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"formula_full": "Ba1 Mg1 Sn4 O8",
"formula_reduced": "BaMg(SnO2)4",
"formula_anonymous": "ABC4D8",
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}