HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4185",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4183",
"results": [
{
"id": "jvasp-88766",
"created_at": "2022-09-04T14:35:49.525453Z",
"updated_at": "2022-09-04T14:35:49.525480Z",
"structure_string": "Ba2 Fe2 Si8 O20\n1.0\n7.649498 -0.000013 -0.000022\n-0.000013 7.649516 -0.000014\n-0.000022 -0.000014 7.974351\nBa Fe Si O\n2 2 8 20\ndirect\n0.250000 0.750001 0.000001 Ba\n0.750000 0.250000 0.000000 Ba\n0.750000 0.750001 0.829142 Fe\n0.250001 0.250000 0.170859 Fe\n0.541245 0.958756 0.304057 Si\n0.458755 0.041245 0.695943 Si\n0.041244 0.458757 0.695945 Si\n0.041244 0.041244 0.695944 Si\n0.958757 0.958757 0.304056 Si\n0.458756 0.458757 0.695944 Si\n0.541245 0.541244 0.304057 Si\n0.958757 0.541244 0.304056 Si\n0.998710 0.750001 0.269702 O\n0.932391 0.932393 0.831563 O\n0.000001 0.000001 0.500000 O\n0.567611 0.567611 0.831562 O\n0.498712 0.250001 0.730301 O\n0.500000 0.000001 0.500000 O\n0.250001 0.498713 0.730300 O\n0.432391 0.432390 0.168437 O\n0.750000 0.501288 0.269701 O\n0.001291 0.250001 0.730300 O\n0.432391 0.067609 0.168438 O\n0.567610 0.932392 0.831562 O\n0.067610 0.432391 0.168438 O\n0.501289 0.750000 0.269700 O\n0.000000 0.500001 0.500001 O\n0.932391 0.567610 0.831563 O\n0.750001 0.998712 0.269701 O\n0.067610 0.067608 0.168436 O\n0.250000 0.001290 0.730300 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"Si",
"O"
],
"chemical_system": "Ba-Fe-O-Si",
"density": 3.3131721464043618,
"density_atomic": 0.06857846149893368,
"volume": 466.6188085963049,
"volume_molar": 8.781387958220146,
"formula_full": "Ba2 Fe2 Si8 O20",
"formula_reduced": "BaFe(Si2O5)2",
"formula_anonymous": "ABC4D10",
"energy_above_hull": 2.934615679375,
"spacegroup": 129
},
{
"id": "jvasp-88770",
"created_at": "2022-09-04T14:35:54.079231Z",
"updated_at": "2022-09-04T14:35:54.079245Z",
"structure_string": "Ba3 Nb6 Si4 O26\n1.0\n9.143801 0.000000 -0.000000\n-4.571901 7.918764 0.000000\n-0.000000 0.000000 7.791585\nBa Nb Si O\n3 6 4 26\ndirect\n0.603233 0.000000 0.500000 Ba\n0.396767 0.396767 0.500000 Ba\n-0.000000 0.603233 0.500000 Ba\n0.239009 0.000000 0.242853 Nb\n0.760990 0.760990 0.757147 Nb\n-0.000000 0.239009 0.757147 Nb\n-0.000000 0.239009 0.242853 Nb\n0.760990 0.760990 0.242853 Nb\n0.239009 0.000000 0.757147 Nb\n0.666667 0.333333 0.208059 Si\n0.666667 0.333333 0.791940 Si\n0.333333 0.666667 0.208059 Si\n0.333333 0.666667 0.791940 Si\n0.695084 0.511366 0.711434 O\n0.488634 0.183718 0.288565 O\n0.821452 0.000000 0.775194 O\n0.178548 0.178548 0.224806 O\n-0.000000 0.821452 0.224806 O\n-0.000000 0.821452 0.775194 O\n-0.000000 0.221139 0.500000 O\n-0.000000 0.290782 0.000000 O\n0.778860 0.778860 0.500000 O\n0.221139 0.000000 0.500000 O\n0.511366 0.695084 0.288565 O\n0.304916 0.816282 0.288565 O\n0.183718 0.488633 0.288565 O\n0.488634 0.183718 0.711434 O\n0.183718 0.488633 0.711434 O\n0.821452 0.000000 0.224806 O\n0.511366 0.695084 0.711434 O\n0.695084 0.511366 0.288565 O\n0.816282 0.304916 0.288565 O\n0.816282 0.304916 0.711434 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.290782 0.000000 0.000000 O\n0.709217 0.709217 0.000000 O\n0.304916 0.816282 0.711434 O\n0.178548 0.178548 0.775194 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"Ba",
"Nb",
"Si",
"O"
],
"chemical_system": "Ba-Nb-O-Si",
"density": 4.408361434626216,
"density_atomic": 0.06912810127340906,
"volume": 564.1699870469581,
"volume_molar": 8.711566857856818,
"formula_full": "Ba3 Nb6 Si4 O26",
"formula_reduced": "Ba3Nb6(Si2O13)2",
"formula_anonymous": "A3B4C6D26",
"energy_above_hull": 3.496494607948718,
"spacegroup": 189
},
{
"id": "jvasp-88773",
"created_at": "2022-09-04T14:35:58.203956Z",
"updated_at": "2022-09-04T14:35:58.203982Z",
"structure_string": "Ba8 Nb4 Cr4 O24\n1.0\n5.794727 -0.000000 -0.000000\n-2.897363 5.018381 -0.000000\n0.000000 0.000000 19.007414\nBa Nb Cr O\n8 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.359453 Ba\n0.666668 0.333333 0.859453 Ba\n0.666668 0.333333 0.640546 Ba\n0.000000 0.000000 0.500000 Ba\n0.666668 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.333333 0.666667 0.140546 Ba\n0.333333 0.666667 0.935378 Nb\n0.666668 0.333333 0.435378 Nb\n0.333333 0.666667 0.564622 Nb\n0.666668 0.333333 0.064622 Nb\n0.000000 0.000000 0.318257 Cr\n0.000000 0.000000 0.818257 Cr\n0.000000 0.000000 0.681742 Cr\n0.000000 0.000000 0.181742 Cr\n0.500000 0.500000 0.000000 O\n0.851546 0.148454 0.750000 O\n0.148454 0.296908 0.250000 O\n0.500000 0.000000 0.500000 O\n0.167622 0.832378 0.877622 O\n0.500000 0.500000 0.500000 O\n0.167622 0.335244 0.877622 O\n0.664757 0.832378 0.877622 O\n0.335244 0.167622 0.377622 O\n0.832379 0.664756 0.122378 O\n0.832379 0.167622 0.377622 O\n0.832379 0.664756 0.377622 O\n0.167622 0.832378 0.622378 O\n0.000000 0.500000 0.500000 O\n0.664757 0.832378 0.622378 O\n0.832379 0.167622 0.122378 O\n0.167622 0.335244 0.622378 O\n0.851547 0.703092 0.750000 O\n0.148455 0.851546 0.250000 O\n0.703092 0.851546 0.250000 O\n0.296909 0.148454 0.750000 O\n0.500000 0.000000 0.000000 O\n0.335244 0.167622 0.122378 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Nb",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-Nb-O",
"density": 6.195304562426734,
"density_atomic": 0.07236696289796149,
"volume": 552.738409879113,
"volume_molar": 8.321671269376482,
"formula_full": "Ba8 Nb4 Cr4 O24",
"formula_reduced": "Ba2NbCrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.615482974,
"spacegroup": 194
},
{
"id": "jvasp-88783",
"created_at": "2022-09-04T14:36:02.717587Z",
"updated_at": "2022-09-04T14:36:02.717611Z",
"structure_string": "Tc8 As12\n1.0\n6.569324 0.000380 -1.369745\n-1.855281 6.417626 -0.656812\n0.012383 0.009724 8.076213\nTc As\n8 12\ndirect\n0.909334 0.123399 0.623921 Tc\n0.469478 0.135643 0.634356 Tc\n0.530521 0.864357 0.365644 Tc\n0.633089 0.570164 0.867791 Tc\n0.366910 0.429836 0.132209 Tc\n0.083881 0.573296 0.858216 Tc\n0.916118 0.426704 0.141784 Tc\n0.090666 0.876601 0.376080 Tc\n0.967631 0.806643 0.049974 As\n0.032368 0.193357 0.950026 As\n0.736478 0.593731 0.346469 As\n0.628081 0.846309 0.679928 As\n0.371918 0.153691 0.320072 As\n0.141209 0.874083 0.686157 As\n0.858790 0.125917 0.313843 As\n0.764688 0.434023 0.614865 As\n0.235312 0.565977 0.385135 As\n0.263522 0.406269 0.653531 As\n0.546880 0.210768 0.964699 As\n0.453119 0.789232 0.035301 As\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tc",
"As"
],
"chemical_system": "As-Tc",
"density": 8.20379055571374,
"density_atomic": 0.05870783571860083,
"volume": 340.67002735144695,
"volume_molar": 10.257814287117318,
"formula_full": "Tc8 As12",
"formula_reduced": "Tc2As3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.76031365,
"spacegroup": 2
},
{
"id": "jvasp-88784",
"created_at": "2022-09-04T14:36:07.474589Z",
"updated_at": "2022-09-04T14:36:07.474614Z",
"structure_string": "Ho4 Al12 Pb8 O32\n1.0\n9.499636 0.000000 -0.000000\n-0.000000 9.499636 0.000000\n0.000000 0.000000 9.499636\nHo Al Pb O\n4 12 8 32\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.750000 0.500000 0.250000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.750000 0.250000 Al\n0.500000 0.750000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.250000 0.000000 0.750000 Al\n0.750000 0.250000 0.000000 Al\n0.250000 0.750000 0.000000 Al\n0.750000 0.000000 0.250000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.250000 0.750000 Al\n0.000000 0.250000 0.750000 Al\n0.384581 0.384581 0.384581 Pb\n0.615419 0.615419 0.615419 Pb\n0.115419 0.384581 0.115419 Pb\n0.384581 0.115419 0.115419 Pb\n0.115419 0.115419 0.384581 Pb\n0.615419 0.884581 0.884581 Pb\n0.884581 0.884581 0.615419 Pb\n0.884581 0.615419 0.884581 Pb\n0.136861 0.136861 0.136861 O\n0.636861 0.863140 0.636861 O\n0.863140 0.636861 0.636861 O\n0.636861 0.636861 0.863140 O\n0.765001 0.409862 0.409862 O\n0.363140 0.136861 0.363140 O\n0.765001 0.090138 0.090138 O\n0.409862 0.409862 0.765001 O\n0.090138 0.409862 0.735000 O\n0.409862 0.765001 0.409862 O\n0.090138 0.735000 0.409862 O\n0.265001 0.909862 0.590138 O\n0.265001 0.590138 0.909862 O\n0.234999 0.909862 0.909862 O\n0.590138 0.909862 0.265001 O\n0.909862 0.234999 0.909862 O\n0.909862 0.265001 0.590138 O\n0.363140 0.363140 0.136861 O\n0.909862 0.590138 0.265001 O\n0.909862 0.909862 0.234999 O\n0.590138 0.590138 0.234999 O\n0.590138 0.234999 0.590138 O\n0.090138 0.765001 0.090138 O\n0.409862 0.735000 0.090138 O\n0.409862 0.090138 0.735000 O\n0.090138 0.090138 0.765001 O\n0.735000 0.090138 0.409862 O\n0.735000 0.409862 0.090138 O\n0.234999 0.590138 0.590138 O\n0.863140 0.863140 0.863140 O\n0.590138 0.265001 0.909862 O\n0.136861 0.363140 0.363140 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ho",
"Al",
"Pb",
"O"
],
"chemical_system": "Al-Ho-O-Pb",
"density": 6.107497082627189,
"density_atomic": 0.06532315211657044,
"volume": 857.2764507760879,
"volume_molar": 9.218999030012167,
"formula_full": "Ho4 Al12 Pb8 O32",
"formula_reduced": "HoAl3(PbO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.116383114761905,
"spacegroup": 224
},
{
"id": "jvasp-88787",
"created_at": "2022-09-04T14:36:14.068346Z",
"updated_at": "2022-09-04T14:36:14.068368Z",
"structure_string": "K2 Sb2 O4\n1.0\n5.250609 0.037938 -2.224746\n-2.549755 5.017495 -0.197958\n-0.043883 0.044069 5.631326\nK Sb O\n2 2 4\ndirect\n0.250000 0.632375 0.367626 K\n0.750000 0.367627 0.632374 K\n0.750000 0.898055 0.101945 Sb\n0.250001 0.101946 0.898055 Sb\n0.218997 0.127253 0.238758 O\n0.281004 0.761243 0.872748 O\n0.718997 0.238759 0.127252 O\n0.781004 0.872749 0.761242 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Sb",
"O"
],
"chemical_system": "K-O-Sb",
"density": 4.307062101984822,
"density_atomic": 0.053796794101285565,
"volume": 148.70774613331145,
"volume_molar": 11.194237241464341,
"formula_full": "K2 Sb2 O4",
"formula_reduced": "KSbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.952045275,
"spacegroup": 15
},
{
"id": "jvasp-88788",
"created_at": "2022-09-04T14:35:41.330358Z",
"updated_at": "2022-09-04T14:35:41.330389Z",
"structure_string": "Rb2 Sb2 O4\n1.0\n5.308077 0.027710 -2.081267\n-2.597718 5.276867 -0.524202\n-0.049924 0.066993 5.904343\nRb Sb O\n2 2 4\ndirect\n0.250000 0.638333 0.361667 Rb\n0.750001 0.361667 0.638333 Rb\n0.750000 0.906091 0.093910 Sb\n0.250001 0.093909 0.906090 Sb\n0.209888 0.125135 0.227957 O\n0.290112 0.772043 0.874864 O\n0.709889 0.227957 0.125135 O\n0.790113 0.874865 0.772043 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"O"
],
"chemical_system": "O-Rb-Sb",
"density": 4.791662661661087,
"density_atomic": 0.048248927222861275,
"volume": 165.80679531066227,
"volume_molar": 12.481398254066452,
"formula_full": "Rb2 Sb2 O4",
"formula_reduced": "RbSbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.956133275,
"spacegroup": 15
},
{
"id": "jvasp-88791",
"created_at": "2022-09-04T14:35:47.473277Z",
"updated_at": "2022-09-04T14:35:47.473304Z",
"structure_string": "Ba2 Cu2 Te2 F2\n1.0\n4.464864 0.000000 0.000000\n0.000000 4.464864 -0.000000\n-0.000000 0.000000 9.374175\nBa Cu Te F\n2 2 2 2\ndirect\n0.749999 0.749999 0.658180 Ba\n0.250000 0.250000 0.341819 Ba\n0.749999 0.250000 0.000000 Cu\n0.250000 0.749999 0.000000 Cu\n0.250000 0.250000 0.836994 Te\n0.749999 0.749999 0.163006 Te\n0.250000 0.749999 0.500000 F\n0.749999 0.250000 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Te",
"F"
],
"chemical_system": "Ba-Cu-F-Te",
"density": 6.1751659727837405,
"density_atomic": 0.04280953007912716,
"volume": 186.87427741470577,
"volume_molar": 14.067290037683088,
"formula_full": "Ba2 Cu2 Te2 F2",
"formula_reduced": "BaCuTeF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-88794",
"created_at": "2022-09-04T14:35:51.972302Z",
"updated_at": "2022-09-04T14:35:51.972315Z",
"structure_string": "La2 In2 Pd4\n1.0\n4.692882 0.000000 0.000000\n-2.346441 4.064155 -0.000000\n-0.000000 -0.000000 9.342083\nLa In Pd\n2 2 4\ndirect\n0.666667 0.333333 0.750000 La\n0.333333 0.666666 0.250000 La\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.333333 0.666666 0.918122 Pd\n0.666667 0.333333 0.418122 Pd\n0.333333 0.666666 0.581878 Pd\n0.666667 0.333333 0.081878 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"In",
"Pd"
],
"chemical_system": "In-La-Pd",
"density": 8.696333910640526,
"density_atomic": 0.04489896898609455,
"volume": 178.17781077506797,
"volume_molar": 13.4126482099513,
"formula_full": "La2 In2 Pd4",
"formula_reduced": "LaInPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9763465925,
"spacegroup": 194
},
{
"id": "jvasp-88797",
"created_at": "2022-09-04T14:35:56.037196Z",
"updated_at": "2022-09-04T14:35:56.037222Z",
"structure_string": "Si4 Pb8 Se16\n1.0\n7.170023 0.000000 0.000000\n0.000000 8.102560 -2.692274\n0.000000 0.101883 13.914315\nSi Pb Se\n4 8 16\ndirect\n0.263070 0.442475 0.642706 Si\n0.763070 0.057524 0.857294 Si\n0.736930 0.557524 0.357294 Si\n0.236930 0.942475 0.142706 Si\n0.845994 0.683746 0.626502 Pb\n0.345995 0.816254 0.873499 Pb\n0.143758 0.809012 0.365133 Pb\n0.643757 0.690988 0.134867 Pb\n0.856242 0.190988 0.634867 Pb\n0.356242 0.309011 0.865133 Pb\n0.654005 0.183746 0.126501 Pb\n0.154005 0.316254 0.373499 Pb\n0.467272 0.515675 0.264323 Se\n0.529064 0.005351 0.737630 Se\n0.532728 0.484324 0.735678 Se\n0.032728 0.015675 0.764323 Se\n0.260836 0.671096 0.043114 Se\n0.760836 0.828904 0.456887 Se\n0.739164 0.328904 0.956887 Se\n0.239164 0.171096 0.543114 Se\n0.970935 0.505351 0.237630 Se\n0.470935 0.994649 0.262371 Se\n0.257794 0.126704 0.052438 Se\n0.757794 0.373296 0.447562 Se\n0.742206 0.873296 0.947562 Se\n0.242206 0.626703 0.552439 Se\n0.029065 0.494649 0.762371 Se\n0.967272 0.984324 0.235678 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Si",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Si",
"density": 6.215910762799742,
"density_atomic": 0.034553978080231466,
"volume": 810.3263808001014,
"volume_molar": 17.428212595427045,
"formula_full": "Si4 Pb8 Se16",
"formula_reduced": "Si(PbSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4251662438095236,
"spacegroup": 14
},
{
"id": "jvasp-88799",
"created_at": "2022-09-04T14:36:03.855908Z",
"updated_at": "2022-09-04T14:36:03.855928Z",
"structure_string": "Na8 Te4 O16\n1.0\n5.283571 -0.000000 0.000000\n0.000000 5.761256 0.000000\n0.000000 0.000000 12.253500\nNa Te O\n8 4 16\ndirect\n0.750000 0.500000 0.724489 Na\n0.250000 0.000000 0.775510 Na\n0.250000 0.500000 0.275511 Na\n0.750000 0.000000 0.224489 Na\n0.750000 0.500000 0.140864 Na\n0.250000 0.000000 0.359136 Na\n0.250000 0.500000 0.859136 Na\n0.750000 0.000000 0.640864 Na\n0.750000 0.500000 0.427433 Te\n0.250000 0.500000 0.572567 Te\n0.750000 0.000000 0.927433 Te\n0.250000 0.000000 0.072567 Te\n0.928645 0.681750 0.550893 O\n0.428645 0.818251 0.949107 O\n0.109742 0.296831 0.675483 O\n0.428645 0.681750 0.449107 O\n0.928645 0.818251 0.050893 O\n0.571355 0.181749 0.050893 O\n0.071355 0.318251 0.449107 O\n0.609743 0.296831 0.324517 O\n0.109742 0.203169 0.175483 O\n0.390258 0.796831 0.175483 O\n0.890257 0.703170 0.324517 O\n0.390258 0.703170 0.675483 O\n0.890257 0.796831 0.824517 O\n0.609743 0.203169 0.824517 O\n0.571355 0.318251 0.550893 O\n0.071355 0.181749 0.949107 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Te",
"O"
],
"chemical_system": "Na-O-Te",
"density": 4.230667163690312,
"density_atomic": 0.07506770782819337,
"volume": 372.9966028013442,
"volume_molar": 8.022278732398233,
"formula_full": "Na8 Te4 O16",
"formula_reduced": "Na2TeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2700071095238092,
"spacegroup": 60
},
{
"id": "jvasp-88801",
"created_at": "2022-09-04T14:36:08.188962Z",
"updated_at": "2022-09-04T14:36:08.188983Z",
"structure_string": "Tl8 B8 O16\n1.0\n7.409393 -0.000000 0.000000\n0.000000 7.409393 0.000000\n-0.000000 -0.000000 9.440188\nTl B O\n8 8 16\ndirect\n0.264992 0.263674 0.995989 Tl\n0.263674 0.735008 0.745989 Tl\n0.735008 0.736325 0.495988 Tl\n0.256906 0.022724 0.408589 Tl\n0.977276 0.256906 0.658589 Tl\n0.022724 0.743093 0.158589 Tl\n0.743093 0.977276 0.908589 Tl\n0.736325 0.264992 0.245988 Tl\n0.546252 0.594625 0.020040 B\n0.405375 0.546252 0.270040 B\n0.594625 0.453747 0.770040 B\n0.453747 0.405375 0.520040 B\n0.865199 0.542196 0.919511 B\n0.457803 0.865199 0.169511 B\n0.134801 0.457803 0.419511 B\n0.542196 0.134801 0.669511 B\n0.499964 0.209745 0.538431 O\n0.044977 0.557447 0.940521 O\n0.442552 0.044977 0.190521 O\n0.557447 0.955023 0.690521 O\n0.955023 0.442552 0.440521 O\n0.746937 0.574989 0.032564 O\n0.425010 0.746937 0.282564 O\n0.574989 0.253062 0.782564 O\n0.253062 0.425010 0.532564 O\n0.461112 0.485295 0.129857 O\n0.538887 0.514704 0.629857 O\n0.514704 0.461112 0.379857 O\n0.790255 0.499964 0.788431 O\n0.500035 0.790255 0.038431 O\n0.209745 0.500035 0.288431 O\n0.485295 0.538887 0.879857 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Tl",
"B",
"O"
],
"chemical_system": "B-O-Tl",
"density": 6.336209432642553,
"density_atomic": 0.0617453239615501,
"volume": 518.2578687242286,
"volume_molar": 9.753193235734084,
"formula_full": "Tl8 B8 O16",
"formula_reduced": "TlBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6718755458333334,
"spacegroup": 76
}
]
}