HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10254",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10252",
"results": [
{
"id": "mp-23301",
"created_at": "2022-09-04T14:42:09.410340Z",
"structure_string": "Bi1 F3\n1.0\n0.000000 2.882491 2.882491\n2.882491 0.000000 2.882491\n2.882491 2.882491 0.000000\nBi F\n1 3\ndirect\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 F\n0.500000 0.500000 0.500000 F\n0.750000 0.750000 0.750000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 9.22055440774769,
"density_atomic": 0.08350762181749184,
"volume": 47.89981935711339,
"volume_molar": 7.211486363677738,
"formula_full": "Bi1 F3",
"formula_reduced": "BiF3",
"formula_anonymous": "AB3",
"energy": -19.6558519,
"energy_per_atom": -4.913962975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.2698519,
"band_gap": 3.9663,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.66e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.420000Z",
"spacegroup": 225
},
{
"id": "mp-1662205",
"created_at": "2022-09-04T14:42:09.416480Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n-0.068041 -0.000101 4.979918\n7.291427 -0.000042 0.103226\n-0.000059 9.590475 -0.000189\nLi Co P O\n4 4 4 16\ndirect\n0.101001 0.233479 0.435575 Li\n0.899000 0.766520 0.935582 Li\n0.598528 0.265240 0.652535 Li\n0.401476 0.734756 0.152536 Li\n0.795672 0.415964 0.072993 Co\n0.204331 0.584039 0.572991 Co\n0.294153 0.085024 0.023545 Co\n0.705843 0.914982 0.523545 Co\n0.868177 0.004430 0.197930 P\n0.131839 0.995570 0.697935 P\n0.366041 0.493532 0.896826 P\n0.633950 0.506474 0.396812 P\n0.900927 0.011429 0.358033 O\n0.099080 0.988572 0.858031 O\n0.570576 0.982821 0.155927 O\n0.429430 0.017179 0.655933 O\n0.958404 0.146284 0.628519 O\n0.041594 0.853717 0.128519 O\n0.988541 0.191720 0.141030 O\n0.011461 0.808280 0.641026 O\n0.487679 0.309726 0.958934 O\n0.512318 0.690271 0.458937 O\n0.604335 0.520917 0.236742 O\n0.395661 0.479084 0.736738 O\n0.068528 0.516602 0.938990 O\n0.931462 0.483394 0.438991 O\n0.461279 0.351905 0.461338 O\n0.538714 0.648088 0.961344 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.0673216424550698,
"density_atomic": 0.08038947501303756,
"volume": 348.3043022169129,
"volume_molar": 7.491205483085106,
"formula_full": "Li4 Co4 P4 O16",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy": -203.55073416,
"energy_per_atom": -7.269669077142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.00673416,
"band_gap": 3.1256,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0010504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.853000Z",
"spacegroup": 4
},
{
"id": "mp-1200027",
"created_at": "2022-09-04T14:42:09.420205Z",
"structure_string": "Nb4 C16 N12 O52\n1.0\n9.125366 0.000000 0.000000\n0.000000 12.824368 0.000000\n0.000000 0.995165 16.190486\nNb C N O\n4 16 12 52\ndirect\n0.937779 0.199098 0.872331 Nb\n0.937779 0.800902 0.627669 Nb\n0.062221 0.800902 0.127669 Nb\n0.062221 0.199098 0.372331 Nb\n0.674916 0.458563 0.081880 C\n0.674916 0.541437 0.418120 C\n0.325084 0.541437 0.918120 C\n0.325084 0.458563 0.581880 C\n0.545546 0.269732 0.971372 C\n0.545546 0.730268 0.528628 C\n0.454454 0.730268 0.028628 C\n0.454454 0.269732 0.471372 C\n0.462069 0.121813 0.795530 C\n0.462069 0.878187 0.704470 C\n0.537931 0.878187 0.204470 C\n0.537931 0.121813 0.295530 C\n0.678221 0.004081 0.902987 C\n0.678221 0.995919 0.597013 C\n0.321779 0.995919 0.097013 C\n0.321779 0.004081 0.402987 C\n0.863410 0.062101 0.122254 N\n0.863410 0.937899 0.377746 N\n0.136590 0.937899 0.877746 N\n0.136590 0.062101 0.622254 N\n0.719492 0.293494 0.621926 N\n0.719492 0.706506 0.878074 N\n0.280508 0.706506 0.378074 N\n0.280508 0.293494 0.121926 N\n0.778472 0.377620 0.306974 N\n0.778472 0.622380 0.193026 N\n0.221528 0.622380 0.693026 N\n0.221528 0.377620 0.806974 N\n0.043895 0.137080 0.975583 O\n0.043895 0.862920 0.524417 O\n0.956105 0.862920 0.024417 O\n0.956105 0.137080 0.475583 O\n0.138481 0.201504 0.926646 O\n0.138481 0.798496 0.573354 O\n0.861519 0.798496 0.073354 O\n0.861519 0.201504 0.426646 O\n0.903857 0.157992 0.753390 O\n0.903857 0.842008 0.746610 O\n0.096143 0.842008 0.246610 O\n0.096143 0.157992 0.253390 O\n0.033835 0.215046 0.759017 O\n0.033835 0.784954 0.740983 O\n0.966165 0.784954 0.240983 O\n0.966165 0.215046 0.259017 O\n0.615158 0.234896 0.027671 O\n0.615158 0.765104 0.472329 O\n0.384842 0.765104 0.972329 O\n0.384842 0.234896 0.527671 O\n0.656056 0.411800 0.145579 O\n0.656056 0.588200 0.354421 O\n0.343944 0.588200 0.854421 O\n0.343944 0.411800 0.645579 O\n0.692524 0.504579 0.017557 O\n0.692524 0.495421 0.482443 O\n0.307476 0.495421 0.982443 O\n0.307476 0.504579 0.517557 O\n0.842006 0.312101 0.891804 O\n0.842006 0.687899 0.608196 O\n0.157994 0.687899 0.108196 O\n0.157994 0.312101 0.391804 O\n0.474595 0.302710 0.915211 O\n0.474595 0.697290 0.584789 O\n0.525405 0.697290 0.084789 O\n0.525405 0.302710 0.415211 O\n0.342938 0.121261 0.774203 O\n0.342938 0.878739 0.725797 O\n0.657062 0.878739 0.225797 O\n0.657062 0.121261 0.274203 O\n0.596179 0.934513 0.902512 O\n0.596179 0.065487 0.597488 O\n0.403821 0.065487 0.097488 O\n0.403821 0.934513 0.402512 O\n0.760751 0.074763 0.905681 O\n0.760751 0.925237 0.594319 O\n0.239249 0.925237 0.094319 O\n0.239249 0.074763 0.405681 O\n0.886014 0.500000 0.750000 O\n0.113986 0.500000 0.250000 O\n0.751133 0.500000 0.750000 O\n0.248867 0.500000 0.250000 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Nb",
"C",
"N",
"O"
],
"chemical_system": "C-N-Nb-O",
"density": 1.3705563921957404,
"density_atomic": 0.04433361410429207,
"volume": 1894.724842472694,
"volume_molar": 13.583690122427846,
"formula_full": "Nb4 C16 N12 O52",
"formula_reduced": "NbC4N3O13",
"formula_anonymous": "AB3C4D13",
"energy": -539.18722238,
"energy_per_atom": -6.418895504523809,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -530.81522238,
"band_gap": 0.0074,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5718862,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.544000Z",
"spacegroup": 13
},
{
"id": "mp-2442",
"created_at": "2022-09-04T14:42:09.654125Z",
"structure_string": "Er1 Au1\n1.0\n3.575356 0.000000 0.000000\n0.000000 3.575356 0.000000\n0.000000 0.000000 3.575356\nEr Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Au"
],
"chemical_system": "Au-Er",
"density": 13.233101824537812,
"density_atomic": 0.04375947692256567,
"volume": 45.70438544178872,
"volume_molar": 13.761912123987324,
"formula_full": "Er1 Au1",
"formula_reduced": "ErAu",
"formula_anonymous": "AB",
"energy": -9.61253767,
"energy_per_atom": -4.806268835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.61253767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.121000Z",
"spacegroup": 221
},
{
"id": "mp-1234368",
"created_at": "2022-09-04T14:42:08.976125Z",
"structure_string": "Sr6 Mg1 W4 O18\n1.0\n5.994097 3.334893 6.030033\n-4.274988 3.047299 4.503007\n0.602484 -5.489669 4.759350\nSr Mg W O\n6 1 4 18\ndirect\n0.277315 0.866886 0.628245 Sr\n0.027787 0.374634 0.736750 Sr\n0.528466 0.735325 0.140539 Sr\n0.454710 0.253887 0.844076 Sr\n0.014755 0.633888 0.225370 Sr\n0.760852 0.057428 0.442354 Sr\n0.774581 0.248477 0.027173 Mg\n0.847853 0.843630 0.846133 W\n0.364603 0.322806 0.319284 W\n0.141392 0.153576 0.155548 W\n0.648362 0.640929 0.660861 W\n0.055029 0.956715 0.295791 O\n0.048244 0.712882 0.841889 O\n0.633088 0.918379 0.794066 O\n0.322258 0.583148 0.398453 O\n0.147290 0.281176 0.418861 O\n0.250905 0.405231 0.101398 O\n0.456662 0.636347 0.815125 O\n0.580629 0.777517 0.461415 O\n0.781140 0.937893 0.107878 O\n0.205741 0.113655 0.885412 O\n0.429293 0.190044 0.521673 O\n0.860740 0.714513 0.568383 O\n0.556172 0.336759 0.153637 O\n0.756481 0.569058 0.892733 O\n0.688555 0.386816 0.581056 O\n0.366244 0.057392 0.188734 O\n0.941741 0.319629 0.126105 O\n0.873754 0.114236 0.776414 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"W",
"O"
],
"chemical_system": "Mg-O-Sr-W",
"density": 5.904946629306329,
"density_atomic": 0.06554398655027623,
"volume": 442.45096348778293,
"volume_molar": 9.187937867313964,
"formula_full": "Sr6 Mg1 W4 O18",
"formula_reduced": "Sr6Mg(W2O9)2",
"formula_anonymous": "AB4C6D18",
"energy": -233.38929177,
"energy_per_atom": -8.04790661275862,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -203.27129177,
"band_gap": 2.3046999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.118000Z",
"spacegroup": 1
},
{
"id": "mp-867158",
"created_at": "2022-09-04T14:42:09.032268Z",
"structure_string": "Sm1 Cd3\n1.0\n0.000000 3.638934 3.638934\n3.638934 0.000000 3.638934\n3.638934 3.638934 0.000000\nSm Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Cd"
],
"chemical_system": "Cd-Sm",
"density": 8.401445754229236,
"density_atomic": 0.04150567291733661,
"volume": 96.37236837399232,
"volume_molar": 14.50919919306885,
"formula_full": "Sm1 Cd3",
"formula_reduced": "SmCd3",
"formula_anonymous": "AB3",
"energy": -8.67267121,
"energy_per_atom": -2.1681678025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.67267121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052496,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.628000Z",
"spacegroup": 225
},
{
"id": "mp-1216602",
"created_at": "2022-09-04T14:42:09.033715Z",
"structure_string": "Tl2 Pd9 Pb1\n1.0\n-2.076221 2.076221 11.937970\n2.076221 -2.076221 11.937970\n2.076221 2.076221 -11.937970\nTl Pd Pb\n2 9 1\ndirect\n0.166047 0.166047 0.000000 Tl\n0.000979 0.000979 0.000000 Tl\n0.916128 0.416128 0.500000 Pd\n0.416128 0.916128 0.500000 Pd\n0.084229 0.584229 0.500000 Pd\n0.584229 0.084229 0.500000 Pd\n0.500271 0.500271 0.000000 Pd\n0.749573 0.249573 0.500000 Pd\n0.249573 0.749573 0.500000 Pd\n0.331046 0.331046 0.000000 Pd\n0.667623 0.667623 0.000000 Pd\n0.834175 0.834175 0.000000 Pb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Tl",
"density": 12.695396492959125,
"density_atomic": 0.058296651858207066,
"volume": 205.8437254542025,
"volume_molar": 10.330165743733355,
"formula_full": "Tl2 Pd9 Pb1",
"formula_reduced": "Tl2Pd9Pb",
"formula_anonymous": "AB2C9",
"energy": -57.92084402,
"energy_per_atom": -4.826737001666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.92084402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.584000Z",
"spacegroup": 107
},
{
"id": "mp-1070275",
"created_at": "2022-09-04T14:42:09.043449Z",
"structure_string": "Al3 Tc2\n1.0\n2.178047 -3.772489 0.000000\n2.178047 3.772489 0.000000\n0.000000 0.000000 5.121001\nAl Tc\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.391880 Al\n0.333333 0.666667 0.608120 Al\n0.666667 0.333333 0.896201 Tc\n0.333333 0.666667 0.103799 Tc\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Tc"
],
"chemical_system": "Al-Tc",
"density": 5.464644799301861,
"density_atomic": 0.05941415416419581,
"volume": 84.15503124360058,
"volume_molar": 10.13586887622321,
"formula_full": "Al3 Tc2",
"formula_reduced": "Al3Tc2",
"formula_anonymous": "A2B3",
"energy": -32.7759245,
"energy_per_atom": -6.5551849,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.7759245,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002777,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.229000Z",
"spacegroup": 164
},
{
"id": "mp-1183283",
"created_at": "2022-09-04T14:42:09.046777Z",
"structure_string": "Ba1 Al1 O3\n1.0\n3.956853 0.000000 0.000000\n0.000000 3.956853 0.000000\n0.000000 0.000000 3.956853\nBa Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Al",
"O"
],
"chemical_system": "Al-Ba-O",
"density": 5.69066640911675,
"density_atomic": 0.08070868209773299,
"volume": 61.951203638108275,
"volume_molar": 7.461577371202243,
"formula_full": "Ba1 Al1 O3",
"formula_reduced": "BaAlO3",
"formula_anonymous": "ABC3",
"energy": -34.98544504,
"energy_per_atom": -6.9970890080000006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.92444504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9993112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.581000Z",
"spacegroup": 221
},
{
"id": "mp-1194941",
"created_at": "2022-09-04T14:42:09.061184Z",
"structure_string": "Hg16 Bi4 Se8 Cl20\n1.0\n10.683031 0.000000 0.000000\n0.000000 9.728615 0.000000\n0.000000 8.654481 14.605164\nHg Bi Se Cl\n16 4 8 20\ndirect\n0.749478 0.855535 0.046881 Hg\n0.750522 0.855535 0.546881 Hg\n0.250522 0.144465 0.953119 Hg\n0.249478 0.144465 0.453119 Hg\n0.749036 0.170770 0.950355 Hg\n0.750964 0.170770 0.450355 Hg\n0.250964 0.829230 0.049645 Hg\n0.249036 0.829230 0.549645 Hg\n0.745825 0.514822 0.991867 Hg\n0.754175 0.514822 0.491867 Hg\n0.254175 0.485178 0.008133 Hg\n0.245825 0.485178 0.508133 Hg\n0.505594 0.511318 0.646765 Hg\n0.994406 0.511318 0.146765 Hg\n0.494406 0.488682 0.353235 Hg\n0.005594 0.488682 0.853235 Hg\n0.000164 0.017827 0.735173 Bi\n0.499836 0.017827 0.235173 Bi\n0.999836 0.982173 0.264827 Bi\n0.500164 0.982173 0.764827 Bi\n0.756950 0.543646 0.132189 Se\n0.743050 0.543646 0.632189 Se\n0.243050 0.456354 0.867811 Se\n0.256950 0.456354 0.367811 Se\n0.733193 0.482313 0.353283 Se\n0.766807 0.482313 0.853283 Se\n0.266807 0.517687 0.646717 Se\n0.233193 0.517687 0.146717 Se\n0.502302 0.198381 0.826954 Cl\n0.997698 0.198381 0.326954 Cl\n0.497698 0.801619 0.173046 Cl\n0.002302 0.801619 0.673046 Cl\n0.500918 0.787980 0.696734 Cl\n0.999082 0.787980 0.196734 Cl\n0.499082 0.212020 0.303266 Cl\n0.000918 0.212020 0.803266 Cl\n0.536838 0.237053 0.591737 Cl\n0.963162 0.237053 0.091737 Cl\n0.463162 0.762947 0.408263 Cl\n0.036838 0.762947 0.908263 Cl\n0.972719 0.264569 0.559638 Cl\n0.527281 0.264569 0.059638 Cl\n0.027281 0.735431 0.440362 Cl\n0.472719 0.735431 0.940362 Cl\n0.743343 0.936202 0.797239 Cl\n0.756657 0.936202 0.297239 Cl\n0.256657 0.063798 0.202761 Cl\n0.243343 0.063798 0.702761 Cl\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Hg",
"Bi",
"Se",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-Se",
"density": 5.892121520865935,
"density_atomic": 0.03162199704746052,
"volume": 1517.9306964059929,
"volume_molar": 19.04415066183691,
"formula_full": "Hg16 Bi4 Se8 Cl20",
"formula_reduced": "Hg4BiSe2Cl5",
"formula_anonymous": "AB2C4D5",
"energy": -130.32229766,
"energy_per_atom": -2.7150478679166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.26629766000002,
"band_gap": 2.105,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008498,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.672000Z",
"spacegroup": 14
},
{
"id": "mp-1235592",
"created_at": "2022-09-04T14:42:09.075491Z",
"structure_string": "Li1 Y2 Fe4 O8\n1.0\n5.649694 0.194390 3.561623\n2.061839 5.254233 3.472766\n0.402087 0.189371 6.654706\nLi Y Fe O\n1 2 4 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.652521 0.646639 0.653832 Y\n0.347479 0.353361 0.346168 Y\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.245692 0.722855 0.760409 O\n0.239947 0.276538 0.753841 O\n0.227385 0.765225 0.225786 O\n0.217534 0.226963 0.218396 O\n0.760053 0.723462 0.246159 O\n0.754308 0.277145 0.239591 O\n0.772615 0.234775 0.774214 O\n0.782466 0.773037 0.781604 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Y",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Y",
"density": 4.804469247083584,
"density_atomic": 0.08095043205089847,
"volume": 185.29857864833366,
"volume_molar": 7.439294154987973,
"formula_full": "Li1 Y2 Fe4 O8",
"formula_reduced": "LiY2(FeO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -121.40235444,
"energy_per_atom": -8.093490296,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.88235444,
"band_gap": 1.9588,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.9998381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.778000Z",
"spacegroup": 12
},
{
"id": "mp-861867",
"created_at": "2022-09-04T14:42:09.075695Z",
"structure_string": "Ac2 I6\n1.0\n5.797535 -10.041626 0.000000\n5.797535 10.041626 0.000000\n0.000000 0.000000 4.390259\nAc I\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.211024 0.422049 0.250000 I\n0.577951 0.788976 0.250000 I\n0.211024 0.788976 0.250000 I\n0.788976 0.577951 0.750000 I\n0.422049 0.211024 0.750000 I\n0.788976 0.211024 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"I"
],
"chemical_system": "Ac-I",
"density": 3.9483019114656055,
"density_atomic": 0.015650291397742787,
"volume": 511.1725907642733,
"volume_molar": 38.47941617795412,
"formula_full": "Ac2 I6",
"formula_reduced": "AcI3",
"formula_anonymous": "AB3",
"energy": -31.79445133,
"energy_per_atom": -3.97430641625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.52045133,
"band_gap": 2.5886,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.744000Z",
"spacegroup": 194
}
]
}