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=-chemical_system&page=10162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=10160",
"results": [
{
"id": "mp-1227435",
"created_at": "2022-09-04T14:41:21.639284Z",
"structure_string": "Ba2 V2 Se2 S4\n1.0\n3.513763 -5.968045 0.000000\n3.513763 5.968045 0.000000\n0.000000 0.000000 5.673690\nBa V Se S\n2 2 2 4\ndirect\n0.329849 0.670151 0.500000 Ba\n0.667241 0.332759 0.000000 Ba\n0.005155 0.994845 0.276861 V\n0.005155 0.994845 0.723139 V\n0.163876 0.338846 0.000000 Se\n0.661154 0.836124 0.000000 Se\n0.154927 0.845073 0.000000 S\n0.840573 0.670017 0.500000 S\n0.329983 0.159427 0.500000 S\n0.840633 0.159367 0.500000 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"V",
"Se",
"S"
],
"chemical_system": "Ba-S-Se-V",
"density": 4.624630674528509,
"density_atomic": 0.04202423793964672,
"volume": 237.9579140581095,
"volume_molar": 14.330160534139186,
"formula_full": "Ba2 V2 Se2 S4",
"formula_reduced": "BaVSeS2",
"formula_anonymous": "ABCD2",
"energy": -61.34293478,
"energy_per_atom": -6.134293478,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.38693478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.104000Z",
"spacegroup": 38
},
{
"id": "mp-28129",
"created_at": "2022-09-04T14:46:18.368828Z",
"structure_string": "Ba8 Sb16 S32\n1.0\n8.380887 0.000000 0.000000\n0.000000 9.052919 0.000000\n0.000000 3.742311 20.551577\nBa Sb S\n8 16 32\ndirect\n0.948296 0.516916 0.202567 Ba\n0.448296 0.483084 0.297433 Ba\n0.051704 0.483084 0.797433 Ba\n0.551704 0.516916 0.702567 Ba\n0.545906 0.017890 0.694951 Ba\n0.045906 0.982110 0.805049 Ba\n0.454094 0.982110 0.305049 Ba\n0.954094 0.017890 0.194951 Ba\n0.992313 0.842879 0.614997 Sb\n0.492313 0.157121 0.885003 Sb\n0.007687 0.157121 0.385003 Sb\n0.507687 0.842879 0.114997 Sb\n0.699431 0.426655 0.468938 Sb\n0.199431 0.573345 0.031062 Sb\n0.300569 0.573345 0.531062 Sb\n0.800569 0.426655 0.968938 Sb\n0.655917 0.852967 0.497805 Sb\n0.155917 0.147033 0.002195 Sb\n0.344083 0.147033 0.502195 Sb\n0.844083 0.852967 0.997805 Sb\n0.981579 0.298190 0.623283 Sb\n0.481579 0.701810 0.876717 Sb\n0.018421 0.701810 0.376717 Sb\n0.518421 0.298190 0.123283 Sb\n0.848111 0.655105 0.536195 S\n0.348111 0.344895 0.963805 S\n0.151889 0.344895 0.463805 S\n0.651889 0.655105 0.036195 S\n0.164411 0.497483 0.650557 S\n0.664411 0.502517 0.849443 S\n0.835589 0.502517 0.349443 S\n0.335589 0.497483 0.150557 S\n0.328900 0.741288 0.773174 S\n0.828900 0.258712 0.726826 S\n0.671100 0.258712 0.226826 S\n0.171100 0.741288 0.273174 S\n0.656624 0.926155 0.847508 S\n0.156624 0.073845 0.652492 S\n0.343376 0.073845 0.152492 S\n0.843376 0.926155 0.347508 S\n0.346212 0.233489 0.782552 S\n0.846212 0.766511 0.717448 S\n0.653788 0.766511 0.217448 S\n0.153788 0.233489 0.282552 S\n0.505010 0.631411 0.427075 S\n0.005010 0.368589 0.072925 S\n0.494990 0.368589 0.572925 S\n0.994990 0.631411 0.927075 S\n0.710964 0.034015 0.064774 S\n0.210964 0.965985 0.435226 S\n0.289036 0.965985 0.935226 S\n0.789036 0.034015 0.564774 S\n0.945588 0.223417 0.915146 S\n0.445588 0.776583 0.584854 S\n0.054412 0.776583 0.084854 S\n0.554412 0.223417 0.415146 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"S"
],
"chemical_system": "Ba-S-Sb",
"density": 4.337349120928866,
"density_atomic": 0.03591403940304438,
"volume": 1559.2787926621522,
"volume_molar": 16.768207809811315,
"formula_full": "Ba8 Sb16 S32",
"formula_reduced": "Ba(SbS2)2",
"formula_anonymous": "AB2C4",
"energy": -276.55900105,
"energy_per_atom": -4.9385535901785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.46300105,
"band_gap": 1.4872999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.305000Z",
"spacegroup": 14
},
{
"id": "mp-1195624",
"created_at": "2022-09-04T14:45:28.625650Z",
"structure_string": "Ba12 Sb8 S28\n1.0\n6.219112 9.310429 0.000000\n-6.219112 9.310429 0.000000\n0.000000 4.624364 12.587309\nBa Sb S\n12 8 28\ndirect\n0.397619 0.405778 0.672796 Ba\n0.594222 0.602381 0.827204 Ba\n0.602381 0.594222 0.327204 Ba\n0.405778 0.397619 0.172796 Ba\n0.894902 0.892175 0.677025 Ba\n0.107825 0.105098 0.822975 Ba\n0.105098 0.107825 0.322975 Ba\n0.892175 0.894902 0.177025 Ba\n0.113641 0.623758 0.943154 Ba\n0.376242 0.886359 0.556846 Ba\n0.886359 0.376242 0.056846 Ba\n0.623758 0.113641 0.443154 Ba\n0.756798 0.702055 0.510882 Sb\n0.297945 0.243202 0.989118 Sb\n0.243202 0.297945 0.489118 Sb\n0.702055 0.756798 0.010882 Sb\n0.860689 0.304866 0.590962 Sb\n0.695134 0.139311 0.909038 Sb\n0.139311 0.695134 0.409038 Sb\n0.304866 0.860689 0.090962 Sb\n0.191806 0.700012 0.680380 S\n0.299988 0.808194 0.819620 S\n0.808194 0.299988 0.319620 S\n0.700012 0.191806 0.180380 S\n0.107494 0.611266 0.613421 S\n0.388734 0.892506 0.886579 S\n0.892506 0.388734 0.386579 S\n0.611266 0.107494 0.113421 S\n0.150100 0.355300 0.862573 S\n0.644700 0.849900 0.637427 S\n0.849900 0.644700 0.137427 S\n0.355300 0.150100 0.362573 S\n0.845903 0.644924 0.866326 S\n0.355076 0.154097 0.633674 S\n0.154097 0.355076 0.133674 S\n0.644924 0.845903 0.366326 S\n0.593611 0.578201 0.584619 S\n0.421799 0.406389 0.915381 S\n0.406389 0.421799 0.415381 S\n0.578201 0.593611 0.084619 S\n0.057281 0.100197 0.587767 S\n0.899803 0.942719 0.912233 S\n0.942719 0.899803 0.412233 S\n0.100197 0.057281 0.087767 S\n0.698834 0.196414 0.627861 S\n0.803586 0.301166 0.872139 S\n0.301166 0.803586 0.372139 S\n0.196414 0.698834 0.127861 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"S"
],
"chemical_system": "Ba-S-Sb",
"density": 4.009674196276463,
"density_atomic": 0.032929131574844235,
"volume": 1457.6758543085587,
"volume_molar": 18.288185785623735,
"formula_full": "Ba12 Sb8 S28",
"formula_reduced": "Ba3Sb2S7",
"formula_anonymous": "A2B3C7",
"energy": -244.67924536000004,
"energy_per_atom": -5.097484278333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.59524536,
"band_gap": 1.9629,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005958,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.949000Z",
"spacegroup": 15
},
{
"id": "mp-561455",
"created_at": "2022-09-04T14:41:16.909139Z",
"structure_string": "Ba32 Sb24 S68\n1.0\n14.015494 0.000000 0.000000\n0.000000 11.618297 0.000000\n0.000000 0.426819 22.885475\nBa Sb S\n32 24 68\ndirect\n0.842398 0.757192 0.929733 Ba\n0.157602 0.757192 0.429733 Ba\n0.343232 0.000000 0.750000 Ba\n0.495166 0.240301 0.101452 Ba\n0.516021 0.799179 0.618150 Ba\n0.516021 0.200821 0.881850 Ba\n0.504834 0.759699 0.898548 Ba\n0.161698 0.179569 0.884266 Ba\n0.483979 0.200821 0.381850 Ba\n0.497186 0.500000 0.750000 Ba\n0.838302 0.179569 0.384266 Ba\n0.841351 0.142911 0.885516 Ba\n0.161698 0.820431 0.615734 Ba\n0.158649 0.857089 0.114484 Ba\n0.495166 0.759699 0.398548 Ba\n0.169310 0.500000 0.750000 Ba\n0.830690 0.500000 0.250000 Ba\n0.169119 0.771278 0.910277 Ba\n0.158649 0.142911 0.385516 Ba\n0.483979 0.799179 0.118150 Ba\n0.842398 0.242808 0.570267 Ba\n0.153035 0.500000 0.250000 Ba\n0.157602 0.242808 0.070267 Ba\n0.656768 0.000000 0.250000 Ba\n0.841351 0.857089 0.614484 Ba\n0.838302 0.820431 0.115734 Ba\n0.502814 0.500000 0.250000 Ba\n0.504834 0.240301 0.601452 Ba\n0.169119 0.228722 0.589723 Ba\n0.830881 0.228722 0.089723 Ba\n0.830881 0.771278 0.410277 Ba\n0.846965 0.500000 0.750000 Ba\n0.308345 0.438113 0.424316 Sb\n0.017126 0.431948 0.424853 Sb\n0.998421 0.841627 0.279755 Sb\n0.332588 0.464335 0.908976 Sb\n0.347030 0.019632 0.994199 Sb\n0.998421 0.158373 0.220245 Sb\n0.308345 0.561887 0.075684 Sb\n0.320873 0.154344 0.223201 Sb\n0.017126 0.568052 0.075147 Sb\n0.691655 0.438113 0.924316 Sb\n0.667412 0.464335 0.408976 Sb\n0.667412 0.535665 0.091024 Sb\n0.982874 0.568052 0.575147 Sb\n0.320873 0.845656 0.276799 Sb\n0.652970 0.980368 0.005801 Sb\n0.982874 0.431948 0.924853 Sb\n0.679127 0.154344 0.723201 Sb\n0.679127 0.845656 0.776799 Sb\n0.652970 0.019632 0.494199 Sb\n0.001579 0.841627 0.779755 Sb\n0.347030 0.980368 0.505801 Sb\n0.691655 0.561887 0.575684 Sb\n0.332588 0.535665 0.591024 Sb\n0.001579 0.158373 0.720245 Sb\n0.847241 0.536747 0.049490 S\n0.332390 0.263797 0.485435 S\n0.002850 0.045105 0.629622 S\n0.992611 0.655252 0.833345 S\n0.174373 0.992820 0.503025 S\n0.642808 0.017448 0.113521 S\n0.710717 0.337050 0.831831 S\n0.020870 0.752399 0.020417 S\n0.825627 0.992820 0.003025 S\n0.171005 0.175837 0.740029 S\n0.289283 0.337050 0.331831 S\n0.334430 0.963668 0.366924 S\n0.644152 0.231839 0.487778 S\n0.289283 0.662950 0.168169 S\n0.295326 0.335870 0.170337 S\n0.327446 0.667792 0.672806 S\n0.665570 0.963668 0.866924 S\n0.490305 0.194112 0.242158 S\n0.327446 0.332208 0.827194 S\n0.992611 0.344748 0.666655 S\n0.525567 0.486541 0.897323 S\n0.332390 0.736203 0.014565 S\n0.509695 0.805888 0.757842 S\n0.020870 0.247601 0.479583 S\n0.324930 0.372241 0.660029 S\n0.667610 0.736203 0.514565 S\n0.672554 0.667792 0.172806 S\n0.828995 0.175837 0.240029 S\n0.007389 0.344748 0.166655 S\n0.002127 0.340667 0.329456 S\n0.525567 0.513459 0.602677 S\n0.295326 0.664130 0.329663 S\n0.174373 0.007180 0.996975 S\n0.667610 0.263797 0.985435 S\n0.704674 0.664130 0.829663 S\n0.675070 0.372241 0.160029 S\n0.152759 0.463253 0.950510 S\n0.847241 0.463253 0.450510 S\n0.672554 0.332208 0.327194 S\n0.474433 0.513459 0.102677 S\n0.979130 0.752399 0.520417 S\n0.355848 0.231839 0.987778 S\n0.355848 0.768161 0.512222 S\n0.152759 0.536747 0.549490 S\n0.997873 0.659333 0.670544 S\n0.324930 0.627759 0.839971 S\n0.509695 0.194112 0.742158 S\n0.007389 0.655252 0.333345 S\n0.828995 0.824163 0.259971 S\n0.997150 0.045105 0.129622 S\n0.665570 0.036332 0.633076 S\n0.171005 0.824163 0.759971 S\n0.825627 0.007180 0.496975 S\n0.357192 0.017448 0.613521 S\n0.644152 0.768161 0.012222 S\n0.997873 0.340667 0.829456 S\n0.979130 0.247601 0.979583 S\n0.490305 0.805888 0.257842 S\n0.334430 0.036332 0.133076 S\n0.675070 0.627759 0.339971 S\n0.474433 0.486541 0.397323 S\n0.642808 0.982552 0.386479 S\n0.704674 0.335870 0.670337 S\n0.002127 0.659333 0.170544 S\n0.710717 0.662950 0.668169 S\n0.997150 0.954895 0.370378 S\n0.357192 0.982552 0.886479 S\n0.002850 0.954895 0.870378 S\n",
"nsites": 124,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"S"
],
"chemical_system": "Ba-S-Sb",
"density": 4.231851222898561,
"density_atomic": 0.03327444882062774,
"volume": 3726.5831409693865,
"volume_molar": 18.09839373287143,
"formula_full": "Ba32 Sb24 S68",
"formula_reduced": "Ba8Sb6S17",
"formula_anonymous": "A6B8C17",
"energy": -631.32534584,
"energy_per_atom": -5.091333434193548,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -597.12134584,
"band_gap": 1.3935,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.393000Z",
"spacegroup": 13
},
{
"id": "mp-1097100",
"created_at": "2022-09-04T14:41:21.335675Z",
"structure_string": "Ba1 Sr1 Zn2\n1.0\n-6.547546 6.665013 9.246458\n6.547546 -6.665013 9.246458\n6.547546 6.665013 -9.246458\nBa Sr Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.253391 0.000000 0.253391 Zn\n0.746609 0.000000 0.746609 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Zn"
],
"chemical_system": "Ba-Sr-Zn",
"density": 0.36601372057388754,
"density_atomic": 0.0024782495705299606,
"volume": 1614.0424465582057,
"volume_molar": 242.99977014470733,
"formula_full": "Ba1 Sr1 Zn2",
"formula_reduced": "BaSrZn2",
"formula_anonymous": "ABC2",
"energy": -1.23601828,
"energy_per_atom": -0.30900457,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.23601828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0413096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.647000Z",
"spacegroup": 71
},
{
"id": "mp-980191",
"created_at": "2022-09-04T14:46:25.502471Z",
"structure_string": "Ba1 Sr1 Yb2\n1.0\n0.000000 4.618123 4.618123\n4.618123 0.000000 4.618123\n4.618123 4.618123 0.000000\nBa Sr Yb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Yb"
],
"chemical_system": "Ba-Sr-Yb",
"density": 4.813702630091247,
"density_atomic": 0.020306426719023517,
"volume": 196.98197301511004,
"volume_molar": 29.656329216987857,
"formula_full": "Ba1 Sr1 Yb2",
"formula_reduced": "BaSrYb2",
"formula_anonymous": "ABC2",
"energy": -6.5597017,
"energy_per_atom": -1.639925425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.5597017,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.528000Z",
"spacegroup": 225
},
{
"id": "mp-1096608",
"created_at": "2022-09-04T14:44:13.182627Z",
"structure_string": "Ba1 Sr1 Tl2\n1.0\n-6.228109 7.204033 10.201383\n6.228109 -7.204033 10.201383\n6.228109 7.204033 -10.201383\nBa Sr Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.247226 0.247226 Tl\n0.000000 0.752774 0.752774 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Tl"
],
"chemical_system": "Ba-Sr-Tl",
"density": 0.5747661491472121,
"density_atomic": 0.0021847867272811092,
"volume": 1830.8423197800457,
"volume_molar": 275.6397539770092,
"formula_full": "Ba1 Sr1 Tl2",
"formula_reduced": "BaSrTl2",
"formula_anonymous": "ABC2",
"energy": -3.79513794,
"energy_per_atom": -0.948784485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.79513794,
"band_gap": 0.4237999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.482000Z",
"spacegroup": 71
},
{
"id": "mp-1183386",
"created_at": "2022-09-04T14:42:53.169370Z",
"structure_string": "Ba1 Sr1 Tl2\n1.0\n0.000000 4.224531 4.224531\n4.224531 0.000000 4.224531\n4.224531 4.224531 0.000000\nBa Sr Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Tl"
],
"chemical_system": "Ba-Sr-Tl",
"density": 6.978733680441288,
"density_atomic": 0.026527388122769592,
"volume": 150.78755516705502,
"volume_molar": 22.701597051806765,
"formula_full": "Ba1 Sr1 Tl2",
"formula_reduced": "BaSrTl2",
"formula_anonymous": "ABC2",
"energy": -10.00721021,
"energy_per_atom": -2.5018025525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.00721021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045729,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.637000Z",
"spacegroup": 225
},
{
"id": "mp-1183324",
"created_at": "2022-09-04T14:43:24.250744Z",
"structure_string": "Ba1 Sr3\n1.0\n0.000000 4.816688 4.816688\n4.816688 0.000000 4.816688\n4.816688 4.816688 0.000000\nBa Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Sr"
],
"chemical_system": "Ba-Sr",
"density": 2.9732849371052064,
"density_atomic": 0.017897173488417236,
"volume": 223.49897890796754,
"volume_molar": 33.648557767501295,
"formula_full": "Ba1 Sr3",
"formula_reduced": "BaSr3",
"formula_anonymous": "AB3",
"energy": -6.94837199,
"energy_per_atom": -1.7370929975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.94837199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.633000Z",
"spacegroup": 225
},
{
"id": "mp-1183330",
"created_at": "2022-09-04T14:42:05.854761Z",
"structure_string": "Ba3 Sr1\n1.0\n0.000000 4.983362 4.983362\n4.983362 0.000000 4.983362\n4.983362 4.983362 0.000000\nBa Sr\n3 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Sr"
],
"chemical_system": "Ba-Sr",
"density": 3.3517768120219915,
"density_atomic": 0.016160793725453676,
"volume": 247.51259547975633,
"volume_molar": 37.26389224630081,
"formula_full": "Ba3 Sr1",
"formula_reduced": "Ba3Sr",
"formula_anonymous": "AB3",
"energy": -7.43989528,
"energy_per_atom": -1.85997382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.43989528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.862000Z",
"spacegroup": 225
},
{
"id": "mp-1183345",
"created_at": "2022-09-04T14:41:04.660483Z",
"structure_string": "Ba3 Sr1\n1.0\n-3.128224 3.128224 6.485932\n3.128224 -3.128224 6.485932\n3.128224 3.128224 -6.485932\nBa Sr\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Sr"
],
"chemical_system": "Ba-Sr",
"density": 3.2677161664145244,
"density_atomic": 0.01575549026096935,
"volume": 253.8797545328749,
"volume_molar": 38.222490447780515,
"formula_full": "Ba3 Sr1",
"formula_reduced": "Ba3Sr",
"formula_anonymous": "AB3",
"energy": -7.38888498,
"energy_per_atom": -1.847221245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.38888498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.150000Z",
"spacegroup": 139
},
{
"id": "mp-984699",
"created_at": "2022-09-04T14:44:54.058538Z",
"structure_string": "Ba2 Sr6\n1.0\n4.326335 -7.493432 0.000000\n4.326335 7.493432 0.000000\n0.000000 0.000000 7.108454\nBa Sr\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.166311 0.332623 0.250000 Sr\n0.667377 0.833689 0.250000 Sr\n0.166311 0.833689 0.250000 Sr\n0.833689 0.667377 0.750000 Sr\n0.332623 0.166311 0.750000 Sr\n0.833689 0.166311 0.750000 Sr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Sr"
],
"chemical_system": "Ba-Sr",
"density": 2.8836065346235973,
"density_atomic": 0.017357369883539697,
"volume": 460.89932136472714,
"volume_molar": 34.695007368085776,
"formula_full": "Ba2 Sr6",
"formula_reduced": "BaSr3",
"formula_anonymous": "AB3",
"energy": -13.81724905,
"energy_per_atom": -1.72715613125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.81724905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0218519,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.479000Z",
"spacegroup": 194
}
]
}