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=-is_magnetic&page=10145",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=10143",
"results": [
{
"id": "mp-1340218",
"created_at": "2022-09-04T14:46:01.102061Z",
"structure_string": "Zn4 Ag8 O16\n1.0\n3.111159 0.000000 0.000000\n0.000000 9.744253 0.000000\n0.000000 0.000000 11.013997\nZn Ag O\n4 8 16\ndirect\n0.250000 0.261726 0.341135 Zn\n0.750000 0.738274 0.658865 Zn\n0.250000 0.761726 0.158865 Zn\n0.750000 0.238274 0.841135 Zn\n0.750000 0.415398 0.107207 Ag\n0.250000 0.084602 0.607207 Ag\n0.750000 0.915398 0.392793 Ag\n0.250000 0.584602 0.892793 Ag\n0.250000 0.568932 0.387397 Ag\n0.750000 0.431068 0.612603 Ag\n0.250000 0.068932 0.112603 Ag\n0.750000 0.931068 0.887397 Ag\n0.750000 0.871788 0.071832 O\n0.250000 0.128212 0.928168 O\n0.750000 0.371788 0.428168 O\n0.250000 0.628212 0.571832 O\n0.750000 0.025148 0.722325 O\n0.250000 0.974852 0.277675 O\n0.750000 0.525148 0.777675 O\n0.250000 0.474852 0.222325 O\n0.750000 0.618338 0.033075 O\n0.250000 0.381662 0.966925 O\n0.750000 0.118338 0.466925 O\n0.250000 0.881662 0.533075 O\n0.250000 0.772484 0.792109 O\n0.750000 0.227516 0.207891 O\n0.750000 0.727516 0.292109 O\n0.250000 0.272484 0.707891 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"O"
],
"chemical_system": "Ag-O-Zn",
"density": 6.865820519577624,
"density_atomic": 0.08385757883328646,
"volume": 333.8994565496049,
"volume_molar": 7.181391167961516,
"formula_full": "Zn4 Ag8 O16",
"formula_reduced": "Zn(AgO2)2",
"formula_anonymous": "AB2C4",
"energy": -122.60690597,
"energy_per_atom": -4.378818070357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.61490597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.459000Z",
"spacegroup": 62
},
{
"id": "mp-865490",
"created_at": "2022-09-04T14:46:01.280384Z",
"structure_string": "V2 Cr1 Fe1\n1.0\n0.000000 2.872263 2.872263\n2.872263 0.000000 2.872263\n2.872263 2.872263 0.000000\nV Cr Fe\n2 1 1\ndirect\n0.750000 0.750000 0.750000 V\n0.250000 0.250000 0.250000 V\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-V",
"density": 7.3484345413528995,
"density_atomic": 0.0844029030311084,
"volume": 47.39173483790859,
"volume_molar": 7.134992451362033,
"formula_full": "V2 Cr1 Fe1",
"formula_reduced": "V2CrFe",
"formula_anonymous": "ABC2",
"energy": -36.93480539,
"energy_per_atom": -9.2337013475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.93480539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006765,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.643000Z",
"spacegroup": 225
},
{
"id": "mp-607931",
"created_at": "2022-09-04T14:46:01.331601Z",
"structure_string": "Cs6 Na2 Li4 B4 O12\n1.0\n6.814878 0.000000 0.000000\n-1.778055 7.201797 0.000000\n-2.070898 -1.743806 10.038687\nCs Na Li B O\n6 2 4 4 12\ndirect\n0.647047 0.268790 0.924416 Cs\n0.816929 0.696341 0.517065 Cs\n0.352953 0.731210 0.075584 Cs\n0.183071 0.303659 0.482935 Cs\n0.785890 0.774180 0.870915 Cs\n0.214110 0.225820 0.129085 Cs\n0.326964 0.826541 0.416328 Na\n0.673036 0.173459 0.583672 Na\n0.202347 0.089664 0.763931 Li\n0.226245 0.597952 0.758849 Li\n0.773755 0.402048 0.241151 Li\n0.797653 0.910336 0.236069 Li\n0.349346 0.868621 0.686614 B\n0.032323 0.313255 0.781505 B\n0.650654 0.131379 0.313386 B\n0.967677 0.686745 0.218495 B\n0.248031 0.369416 0.837463 O\n0.306597 0.874946 0.814779 O\n0.072301 0.878359 0.237487 O\n0.693403 0.125054 0.185221 O\n0.347513 0.025046 0.624327 O\n0.377968 0.702673 0.625578 O\n0.751969 0.630584 0.162537 O\n0.652487 0.974954 0.375673 O\n0.931618 0.446718 0.739372 O\n0.927699 0.121641 0.762513 O\n0.622032 0.297327 0.374422 O\n0.068382 0.553282 0.260628 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Cs",
"Na",
"Li",
"B",
"O"
],
"chemical_system": "B-Cs-Li-Na-O",
"density": 3.7289839365926754,
"density_atomic": 0.05683058896154068,
"volume": 492.69241286499096,
"volume_molar": 10.59665379163218,
"formula_full": "Cs6 Na2 Li4 B4 O12",
"formula_reduced": "Cs3NaLi2(BO3)2",
"formula_anonymous": "AB2C2D3E6",
"energy": -166.91234064,
"energy_per_atom": -5.961155022857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.66834064,
"band_gap": 3.454,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0031374,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.143000Z",
"spacegroup": 2
},
{
"id": "mp-1206665",
"created_at": "2022-09-04T14:46:01.351932Z",
"structure_string": "La1 Sn6 Ru4\n1.0\n3.484863 3.484863 4.954143\n-3.484863 -3.484863 4.954143\n3.484863 -3.484863 -4.954143\nLa Sn Ru\n1 6 4\ndirect\n0.000000 0.000000 0.000000 La\n0.472390 0.119225 0.000000 Sn\n0.119225 0.472390 0.000000 Sn\n0.880775 0.880775 0.353165 Sn\n0.527610 0.527610 0.646835 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.406427 0.750587 0.000000 Ru\n0.750587 0.406427 0.000000 Ru\n0.249413 0.249413 0.655840 Ru\n0.593573 0.593573 0.344160 Ru\n",
"nsites": 11,
"nelements": 3,
"elements": [
"La",
"Sn",
"Ru"
],
"chemical_system": "La-Ru-Sn",
"density": 8.662574907268683,
"density_atomic": 0.04570805452745648,
"volume": 240.65780339420013,
"volume_molar": 13.175228791202537,
"formula_full": "La1 Sn6 Ru4",
"formula_reduced": "La(Sn3Ru2)2",
"formula_anonymous": "AB4C6",
"energy": -70.03742272,
"energy_per_atom": -6.367038429090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.03742272,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.542000Z",
"spacegroup": 121
},
{
"id": "mp-1199672",
"created_at": "2022-09-04T14:46:01.379029Z",
"structure_string": "Na2 Ga2 B2 P4 H6 O20\n1.0\n4.745823 4.118884 -2.360710\n4.745823 -4.118884 -2.360710\n0.001586 0.000000 -9.210051\nNa Ga B P H O\n2 2 2 4 6 20\ndirect\n0.130320 0.869680 0.250000 Na\n0.869680 0.130320 0.750000 Na\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.467012 0.532988 0.750000 B\n0.532988 0.467012 0.250000 B\n0.290907 0.162325 0.820383 P\n0.837675 0.709093 0.679617 P\n0.709093 0.837675 0.179617 P\n0.162325 0.290907 0.320383 P\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.320223 0.696419 0.924957 H\n0.303581 0.679777 0.575043 H\n0.679777 0.303581 0.075043 H\n0.696419 0.320223 0.424957 H\n0.083412 0.273361 0.189066 O\n0.726639 0.916588 0.310934 O\n0.916588 0.726639 0.810934 O\n0.273361 0.083412 0.689066 O\n0.467979 0.315355 0.747421 O\n0.684645 0.532021 0.752579 O\n0.532021 0.684645 0.252579 O\n0.315355 0.467979 0.247421 O\n0.304746 0.571509 0.899711 O\n0.428491 0.695254 0.600289 O\n0.695254 0.428491 0.100289 O\n0.571509 0.304746 0.399711 O\n0.362234 0.970352 0.955766 O\n0.029648 0.637766 0.544234 O\n0.637766 0.029648 0.044234 O\n0.970352 0.362234 0.455766 O\n0.068400 0.283350 0.887779 O\n0.716650 0.931600 0.612221 O\n0.931600 0.716650 0.112221 O\n0.283350 0.068400 0.387779 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Na",
"Ga",
"B",
"P",
"H",
"O"
],
"chemical_system": "B-Ga-H-Na-O-P",
"density": 3.0300803714994116,
"density_atomic": 0.09999000150626647,
"volume": 360.03599817671613,
"volume_molar": 6.022742943575799,
"formula_full": "Na2 Ga2 B2 P4 H6 O20",
"formula_reduced": "NaGaBP2H3O10",
"formula_anonymous": "ABCD2E3F10",
"energy": -246.64087677000003,
"energy_per_atom": -6.851135465833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.90087677,
"band_gap": 4.9585,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001792,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.246000Z",
"spacegroup": 15
},
{
"id": "mp-1522418",
"created_at": "2022-09-04T14:46:01.425717Z",
"structure_string": "Ba8 Dy4 Sb4 O24\n1.0\n8.518265 0.000000 0.000000\n0.000000 8.518265 -0.000000\n-0.000000 0.000000 8.518265\nBa Dy Sb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 -0.000000 0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Dy\n0.750000 0.250000 0.250000 Dy\n0.250000 0.750000 0.250000 Dy\n0.250000 0.250000 0.750000 Dy\n0.250000 0.250000 0.250000 Sb\n0.250000 0.750000 0.750000 Sb\n0.750000 0.250000 0.750000 Sb\n0.750000 0.750000 0.250000 Sb\n0.240418 0.260014 0.486649 O\n0.240418 0.739986 0.513351 O\n0.759582 0.260014 0.513351 O\n0.759582 0.739986 0.486649 O\n0.260014 0.486649 0.240418 O\n0.739986 0.513351 0.240418 O\n0.260014 0.513351 0.759582 O\n0.739986 0.486649 0.759582 O\n0.486649 0.240418 0.260014 O\n0.513351 0.240418 0.739986 O\n0.513351 0.759582 0.260014 O\n0.486649 0.759582 0.739986 O\n0.259582 0.239986 0.013351 O\n0.259582 0.760014 0.986649 O\n0.740418 0.239986 0.986649 O\n0.740418 0.760014 0.013351 O\n0.239986 0.013351 0.259582 O\n0.760014 0.986649 0.259582 O\n0.239986 0.986649 0.740418 O\n0.760014 0.013351 0.740418 O\n0.013351 0.259582 0.239986 O\n0.986649 0.259582 0.760014 O\n0.986649 0.740418 0.239986 O\n0.013351 0.740418 0.760014 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Dy",
"Sb",
"O"
],
"chemical_system": "Ba-Dy-O-Sb",
"density": 7.037809964981191,
"density_atomic": 0.06471523778809124,
"volume": 618.0924519041281,
"volume_molar": 9.305599370150475,
"formula_full": "Ba8 Dy4 Sb4 O24",
"formula_reduced": "Ba2DySbO6",
"formula_anonymous": "ABC2D6",
"energy": -292.69577399,
"energy_per_atom": -7.317394349750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.20777399,
"band_gap": 3.4745,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.251000Z",
"spacegroup": 201
},
{
"id": "mp-1074924",
"created_at": "2022-09-04T14:46:01.135572Z",
"structure_string": "Mg6 Si8\n1.0\n4.064866 0.000000 0.000000\n0.000000 7.512604 0.000000\n0.000000 2.121642 8.635399\nMg Si\n6 8\ndirect\n0.000000 0.659387 0.661866 Mg\n0.500000 0.106427 0.970674 Mg\n0.500000 0.376081 0.220637 Mg\n0.000000 0.761721 0.084351 Mg\n0.500000 0.960166 0.468299 Mg\n0.500000 0.322799 0.617009 Mg\n0.000000 0.196142 0.435247 Si\n0.000000 0.520668 0.414673 Si\n0.500000 0.494043 0.851624 Si\n0.000000 0.429004 0.002064 Si\n0.000000 0.118135 0.174764 Si\n0.500000 0.836952 0.809192 Si\n0.500000 0.693546 0.321546 Si\n0.000000 0.025057 0.721322 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3331065902341157,
"density_atomic": 0.053089531890996175,
"volume": 263.7054707648375,
"volume_molar": 11.34336760091369,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.89343494,
"energy_per_atom": -3.635245352857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.46143494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.800000Z",
"spacegroup": 6
},
{
"id": "mp-726705",
"created_at": "2022-09-04T14:46:01.181851Z",
"structure_string": "Sr4 O8\n1.0\n4.724219 0.000000 0.000000\n0.000000 4.946967 0.000000\n0.000000 0.000000 8.511161\nSr O\n4 8\ndirect\n0.890965 0.750000 0.146578 Sr\n0.609035 0.750000 0.646578 Sr\n0.109035 0.250000 0.853422 Sr\n0.390965 0.250000 0.353422 Sr\n0.534430 0.750000 0.355374 O\n0.965570 0.750000 0.855374 O\n0.465570 0.250000 0.644626 O\n0.034430 0.250000 0.144626 O\n0.222872 0.750000 0.395499 O\n0.277128 0.750000 0.895499 O\n0.777128 0.250000 0.604501 O\n0.722872 0.250000 0.104501 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"O"
],
"chemical_system": "O-Sr",
"density": 3.9943920530620445,
"density_atomic": 0.06032862192852087,
"volume": 198.91056046693646,
"volume_molar": 9.982228281519857,
"formula_full": "Sr4 O8",
"formula_reduced": "SrO2",
"formula_anonymous": "AB2",
"energy": -72.69192167,
"energy_per_atom": -6.057660139166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.97192167,
"band_gap": 2.7825,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003515,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.983000Z",
"spacegroup": 62
},
{
"id": "mp-1205640",
"created_at": "2022-09-04T14:46:01.238058Z",
"structure_string": "Tb2 P2 Os4 C2\n1.0\n1.921340 -5.562801 0.000000\n1.921340 5.562801 0.000000\n0.000000 0.000000 7.048038\nTb P Os C\n2 2 4 2\ndirect\n0.544556 0.455444 0.250000 Tb\n0.455444 0.544556 0.750000 Tb\n0.268404 0.731596 0.250000 P\n0.731596 0.268404 0.750000 P\n0.834065 0.165935 0.052332 Os\n0.165935 0.834065 0.947668 Os\n0.165935 0.834065 0.552332 Os\n0.834065 0.165935 0.447668 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"P",
"Os",
"C"
],
"chemical_system": "C-Os-P-Tb",
"density": 12.837544638344486,
"density_atomic": 0.06637492127735005,
"volume": 150.65931239623822,
"volume_molar": 9.072915860549594,
"formula_full": "Tb2 P2 Os4 C2",
"formula_reduced": "TbPOs2C",
"formula_anonymous": "ABCD2",
"energy": -88.37217025,
"energy_per_atom": -8.837217025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.37217025,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.977000Z",
"spacegroup": 63
},
{
"id": "mp-555005",
"created_at": "2022-09-04T14:46:01.257027Z",
"structure_string": "Na6 Mg4 P10 O32\n1.0\n6.943191 0.000000 0.000000\n0.000000 5.240447 0.000000\n0.000000 0.076739 18.840720\nNa Mg P O\n6 4 10 32\ndirect\n0.648125 0.747739 0.032360 Na\n0.034224 0.500000 0.750000 Na\n0.351875 0.252261 0.967640 Na\n0.351875 0.747739 0.532360 Na\n0.965776 0.500000 0.250000 Na\n0.648125 0.252261 0.467640 Na\n0.177862 0.731368 0.091979 Mg\n0.177862 0.268632 0.408021 Mg\n0.822138 0.268632 0.908021 Mg\n0.822138 0.731368 0.591979 Mg\n0.740566 0.000000 0.750000 P\n0.259434 0.000000 0.250000 P\n0.474382 0.242162 0.130019 P\n0.474382 0.757838 0.369981 P\n0.877700 0.771754 0.417049 P\n0.525618 0.757838 0.869981 P\n0.122300 0.771754 0.917049 P\n0.122300 0.228246 0.582951 P\n0.525618 0.242162 0.630019 P\n0.877700 0.228246 0.082951 P\n0.398622 0.036631 0.081020 O\n0.601378 0.963369 0.918980 O\n0.601378 0.036631 0.581020 O\n0.700431 0.786650 0.356277 O\n0.398622 0.963369 0.418980 O\n0.595858 0.807767 0.789789 O\n0.430653 0.513805 0.109314 O\n0.978206 0.596096 0.880931 O\n0.148901 0.161977 0.301211 O\n0.217111 0.339895 0.516170 O\n0.978206 0.403904 0.619069 O\n0.021794 0.596096 0.380931 O\n0.936916 0.048885 0.425745 O\n0.851099 0.161977 0.801211 O\n0.217111 0.660105 0.983830 O\n0.430653 0.486195 0.390686 O\n0.404142 0.192233 0.210211 O\n0.936916 0.951115 0.074255 O\n0.063084 0.951115 0.574255 O\n0.595858 0.192233 0.710211 O\n0.782889 0.339895 0.016170 O\n0.148901 0.838023 0.198789 O\n0.299569 0.786650 0.856277 O\n0.021794 0.403904 0.119069 O\n0.063084 0.048885 0.925745 O\n0.569347 0.486195 0.890686 O\n0.299569 0.213350 0.643723 O\n0.569347 0.513805 0.609314 O\n0.782889 0.660105 0.483830 O\n0.700431 0.213350 0.143723 O\n0.404142 0.807767 0.289789 O\n0.851099 0.838023 0.698789 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Na",
"Mg",
"P",
"O"
],
"chemical_system": "Mg-Na-O-P",
"density": 2.560051005249772,
"density_atomic": 0.07585398523620167,
"volume": 685.527594075344,
"volume_molar": 7.93912243535743,
"formula_full": "Na6 Mg4 P10 O32",
"formula_reduced": "Na3Mg2P5O16",
"formula_anonymous": "A2B3C5D16",
"energy": -372.30418909,
"energy_per_atom": -7.159695944038462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -350.32018909,
"band_gap": 4.8098,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009873,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.060000Z",
"spacegroup": 13
},
{
"id": "mp-1095094",
"created_at": "2022-09-04T14:46:01.259775Z",
"structure_string": "Sn2 I6\n1.0\n-4.138293 4.138293 5.961964\n4.138293 -4.138293 5.961964\n4.138293 4.138293 -5.961964\nSn I\n2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.324045 0.175955 0.500000 I\n0.675955 0.824045 0.500000 I\n0.824045 0.324045 0.148089 I\n0.175955 0.675955 0.851911 I\n0.750000 0.750000 0.000000 I\n0.250000 0.250000 0.000000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"I"
],
"chemical_system": "I-Sn",
"density": 4.061216811885222,
"density_atomic": 0.01958836435520965,
"volume": 408.4057175438616,
"volume_molar": 30.743458977974203,
"formula_full": "Sn2 I6",
"formula_reduced": "SnI3",
"formula_anonymous": "AB3",
"energy": -21.63182043,
"energy_per_atom": -2.70397755375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.35782043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003179,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.496000Z",
"spacegroup": 140
},
{
"id": "mp-36891",
"created_at": "2022-09-04T14:46:01.267255Z",
"structure_string": "Br3 N1\n1.0\n0.000000 3.463505 3.463505\n3.463505 0.000000 3.463505\n3.463505 3.463505 0.000000\nBr N\n3 1\ndirect\n0.250000 0.250000 0.250000 Br\n0.500000 0.500000 0.500000 Br\n0.750000 0.750000 0.750000 Br\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Br",
"N"
],
"chemical_system": "Br-N",
"density": 5.070188694113458,
"density_atomic": 0.04813738996181758,
"volume": 83.09548987123704,
"volume_molar": 12.510318413143594,
"formula_full": "Br3 N1",
"formula_reduced": "Br3N",
"formula_anonymous": "AB3",
"energy": -7.33957281,
"energy_per_atom": -1.8348932025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.37657281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005376,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.555000Z",
"spacegroup": 225
}
]
}