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&page=12194",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=12192",
"results": [
{
"id": "mp-1375332",
"created_at": "2022-09-04T14:48:19.610260Z",
"structure_string": "Ca4 Bi2 W2 O12\n1.0\n5.960142 0.000000 0.000000\n0.000000 5.674213 0.000000\n0.000000 5.584500 8.296021\nCa Bi W O\n4 2 2 12\ndirect\n0.443636 0.260744 0.751970 Ca\n0.943636 0.739256 0.748030 Ca\n0.556364 0.739256 0.248030 Ca\n0.056364 0.260744 0.251970 Ca\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.212340 0.408743 0.924697 O\n0.712340 0.591257 0.575303 O\n0.787660 0.591257 0.075303 O\n0.287660 0.408743 0.424697 O\n0.329976 0.727401 0.057111 O\n0.829976 0.272599 0.442889 O\n0.670024 0.272599 0.942889 O\n0.170024 0.727401 0.557111 O\n0.064485 0.147518 0.727718 O\n0.564485 0.852482 0.772282 O\n0.435515 0.147518 0.227718 O\n0.935515 0.852482 0.272282 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-Ca-O-W",
"density": 6.73501417845539,
"density_atomic": 0.07128496022528759,
"volume": 280.56409005198844,
"volume_molar": 8.44798221247195,
"formula_full": "Ca4 Bi2 W2 O12",
"formula_reduced": "Ca2BiWO6",
"formula_anonymous": "ABC2D6",
"energy": -152.19232452,
"energy_per_atom": -7.609616226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.07232452,
"band_gap": 1.8101000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9958767,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.286000Z",
"spacegroup": 14
},
{
"id": "mp-1199886",
"created_at": "2022-09-04T14:48:19.613795Z",
"structure_string": "Sn4 Mo30 Se38\n1.0\n19.384860 -4.915972 0.000000\n19.384860 4.915972 0.000000\n18.138177 0.000000 8.422952\nSn Mo Se\n4 30 38\ndirect\n0.883709 0.883709 0.883709 Sn\n0.383709 0.383709 0.383709 Sn\n0.116291 0.116291 0.116291 Sn\n0.616291 0.616291 0.616291 Sn\n0.813248 0.999855 0.127161 Mo\n0.127161 0.813248 0.999855 Mo\n0.999855 0.127161 0.813248 Mo\n0.627161 0.499855 0.313248 Mo\n0.313248 0.627161 0.499855 Mo\n0.499855 0.313248 0.627161 Mo\n0.186752 0.000145 0.872839 Mo\n0.872839 0.186752 0.000145 Mo\n0.000145 0.872839 0.186752 Mo\n0.372839 0.500145 0.686752 Mo\n0.686752 0.372839 0.500145 Mo\n0.500145 0.686752 0.372839 Mo\n0.640329 0.777474 0.950449 Mo\n0.950449 0.640329 0.777474 Mo\n0.777474 0.950449 0.640329 Mo\n0.450449 0.277474 0.140329 Mo\n0.140329 0.450449 0.277474 Mo\n0.277474 0.140329 0.450449 Mo\n0.359671 0.222526 0.049551 Mo\n0.049551 0.359671 0.222526 Mo\n0.222526 0.049551 0.359671 Mo\n0.549551 0.722526 0.859671 Mo\n0.859671 0.549551 0.722526 Mo\n0.722526 0.859671 0.549551 Mo\n0.590561 0.909439 0.750000 Mo\n0.750000 0.590561 0.909439 Mo\n0.909439 0.750000 0.590561 Mo\n0.250000 0.409439 0.090561 Mo\n0.090561 0.250000 0.409439 Mo\n0.409439 0.090561 0.250000 Mo\n0.942304 0.699306 0.306763 Se\n0.306763 0.942304 0.699306 Se\n0.699306 0.306763 0.942304 Se\n0.806763 0.199306 0.442304 Se\n0.442304 0.806763 0.199306 Se\n0.199306 0.442304 0.806763 Se\n0.057696 0.300694 0.693237 Se\n0.693237 0.057696 0.300694 Se\n0.300694 0.693237 0.057696 Se\n0.193237 0.800694 0.557696 Se\n0.557696 0.193237 0.800694 Se\n0.800694 0.557696 0.193237 Se\n0.453397 0.077917 0.826606 Se\n0.826606 0.453397 0.077917 Se\n0.077917 0.826606 0.453397 Se\n0.326606 0.577917 0.953397 Se\n0.953397 0.326606 0.577917 Se\n0.577917 0.953397 0.326606 Se\n0.546603 0.922083 0.173394 Se\n0.173394 0.546603 0.922083 Se\n0.922083 0.173394 0.546603 Se\n0.673394 0.422083 0.046603 Se\n0.046603 0.673394 0.422083 Se\n0.422083 0.046603 0.673394 Se\n0.057038 0.442962 0.750000 Se\n0.750000 0.057038 0.442962 Se\n0.442962 0.750000 0.057038 Se\n0.250000 0.942962 0.557038 Se\n0.557038 0.250000 0.942962 Se\n0.942962 0.557038 0.250000 Se\n0.944302 0.944302 0.944302 Se\n0.444302 0.444302 0.444302 Se\n0.055698 0.055698 0.055698 Se\n0.555698 0.555698 0.555698 Se\n0.825214 0.825214 0.825214 Se\n0.325214 0.325214 0.325214 Se\n0.174786 0.174786 0.174786 Se\n0.674786 0.674786 0.674786 Se\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Sn",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Sn",
"density": 6.571993238671073,
"density_atomic": 0.04485037778573181,
"volume": 1605.337648301934,
"volume_molar": 13.427179563057805,
"formula_full": "Sn4 Mo30 Se38",
"formula_reduced": "Sn2Mo15Se19",
"formula_anonymous": "A2B15C19",
"energy": -525.42405882,
"energy_per_atom": -7.297556372500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -507.48805882,
"band_gap": 0.0049000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.027051,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:56.379000Z",
"spacegroup": 167
},
{
"id": "mp-1212027",
"created_at": "2022-09-04T14:48:19.432055Z",
"structure_string": "La8 Mg2 Si8 C8 O44\n1.0\n5.550576 0.000000 0.000000\n0.000000 11.919186 0.000000\n0.000000 6.158446 12.946823\nLa Mg Si C O\n8 2 8 8 44\ndirect\n0.034486 0.757947 0.549945 La\n0.965514 0.242053 0.450055 La\n0.534486 0.242053 0.950055 La\n0.465514 0.757947 0.049945 La\n0.008600 0.234833 0.737472 La\n0.991400 0.765167 0.262528 La\n0.508600 0.765167 0.762528 La\n0.491400 0.234833 0.237472 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.994419 0.947603 0.662595 Si\n0.005581 0.052397 0.337405 Si\n0.494419 0.052397 0.837405 Si\n0.505581 0.947603 0.162595 Si\n0.999131 0.761113 0.909780 Si\n0.000869 0.238887 0.090220 Si\n0.499131 0.238887 0.590220 Si\n0.500869 0.761113 0.409780 Si\n0.336940 0.461602 0.011474 C\n0.663060 0.538398 0.988526 C\n0.836940 0.538398 0.488526 C\n0.163060 0.461602 0.511474 C\n0.014675 0.408301 0.835753 C\n0.985325 0.591699 0.164247 C\n0.514675 0.591699 0.664247 C\n0.485325 0.408301 0.335753 C\n0.991320 0.832979 0.981651 O\n0.008680 0.167021 0.018349 O\n0.491320 0.167021 0.518349 O\n0.508680 0.832979 0.481651 O\n0.236175 0.339055 0.557207 O\n0.763825 0.660945 0.442793 O\n0.736175 0.660945 0.942793 O\n0.263825 0.339055 0.057207 O\n0.776764 0.913176 0.602258 O\n0.223236 0.086824 0.397742 O\n0.276764 0.086824 0.897742 O\n0.723236 0.913176 0.102258 O\n0.933039 0.844059 0.785770 O\n0.066961 0.155941 0.214230 O\n0.433039 0.155941 0.714230 O\n0.566961 0.844059 0.285770 O\n0.254487 0.697512 0.916245 O\n0.745513 0.302488 0.083755 O\n0.754487 0.302488 0.583755 O\n0.245513 0.697512 0.416245 O\n0.244275 0.899889 0.628188 O\n0.755725 0.100111 0.371812 O\n0.744275 0.100111 0.871812 O\n0.255725 0.899889 0.128188 O\n0.217795 0.357481 0.821203 O\n0.782205 0.642519 0.178797 O\n0.717795 0.642519 0.678797 O\n0.282205 0.357481 0.321203 O\n0.499790 0.909998 0.856167 O\n0.500210 0.090002 0.143833 O\n0.999790 0.090002 0.643833 O\n0.000210 0.909998 0.356167 O\n0.505478 0.511689 0.631773 O\n0.494522 0.488311 0.368227 O\n0.005478 0.488311 0.868227 O\n0.994522 0.511689 0.131773 O\n0.009633 0.504033 0.568591 O\n0.990367 0.495967 0.431409 O\n0.509633 0.495967 0.931409 O\n0.490367 0.504033 0.068591 O\n0.314627 0.639933 0.686762 O\n0.685373 0.360067 0.313238 O\n0.814627 0.360067 0.813238 O\n0.185373 0.639933 0.186762 O\n",
"nsites": 70,
"nelements": 5,
"elements": [
"La",
"Mg",
"Si",
"C",
"O"
],
"chemical_system": "C-La-Mg-O-Si",
"density": 4.23518671077809,
"density_atomic": 0.08172410607126684,
"volume": 856.540418306406,
"volume_molar": 7.36886709381494,
"formula_full": "La8 Mg2 Si8 C8 O44",
"formula_reduced": "La4MgSi4(C2O11)2",
"formula_anonymous": "AB4C4D4E22",
"energy": -572.1747451599999,
"energy_per_atom": -8.173924930857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -541.94674516,
"band_gap": 1.6322,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:00.112000Z",
"spacegroup": 14
},
{
"id": "mp-1233972",
"created_at": "2022-09-04T14:48:19.438166Z",
"structure_string": "K2 Mg1 Fe4 P6 O16 F12\n1.0\n6.975222 -0.089078 -2.558218\n-0.724316 7.806115 -1.477525\n0.052214 0.040858 10.679672\nK Mg Fe P O F\n2 1 4 6 16 12\ndirect\n0.758010 0.078311 0.773812 K\n0.198223 0.003431 0.207103 K\n0.416621 0.591914 0.206690 Mg\n0.661286 0.298224 0.334106 Fe\n0.329044 0.682454 0.666024 Fe\n0.517654 0.482199 0.973733 Fe\n0.002965 0.002890 0.505093 Fe\n0.624058 0.731763 0.487673 P\n0.340663 0.292496 0.500869 P\n0.303332 0.074199 0.814433 P\n0.698891 0.904558 0.192249 P\n0.074329 0.602906 0.863771 P\n0.949155 0.402448 0.155227 P\n0.647384 0.574915 0.391997 O\n0.255520 0.449015 0.553290 O\n0.774988 0.881845 0.531717 O\n0.222714 0.122391 0.481346 O\n0.579718 0.044750 0.224342 O\n0.410463 0.925048 0.775500 O\n0.434144 0.239867 0.865788 O\n0.580998 0.728136 0.138736 O\n0.896028 0.905004 0.301552 O\n0.104884 0.081959 0.709482 O\n0.902802 0.338708 0.263143 O\n0.119089 0.652321 0.749134 O\n0.816938 0.477436 0.045915 O\n0.229716 0.571544 0.988684 O\n0.396495 0.297247 0.377222 O\n0.551245 0.707926 0.599059 O\n0.849762 0.198443 0.487740 F\n0.143788 0.789154 0.526272 F\n0.489573 0.377691 0.143122 F\n0.505394 0.606223 0.822375 F\n0.755699 0.940066 0.066699 F\n0.249382 0.034755 0.940603 F\n0.920301 0.443732 0.805578 F\n0.141633 0.537751 0.225975 F\n0.538641 0.283232 0.620895 F\n0.431115 0.792728 0.369523 F\n0.044844 0.258544 0.082073 F\n0.953941 0.741774 0.912705 F\n",
"nsites": 41,
"nelements": 6,
"elements": [
"K",
"Mg",
"Fe",
"P",
"O",
"F"
],
"chemical_system": "F-Fe-K-Mg-O-P",
"density": 2.8391275283464985,
"density_atomic": 0.07040332244010968,
"volume": 582.3588799360664,
"volume_molar": 8.553773531246176,
"formula_full": "K2 Mg1 Fe4 P6 O16 F12",
"formula_reduced": "K2MgFe4P6(O4F3)4",
"formula_anonymous": "AB2C4D6E12F16",
"energy": -282.24435015,
"energy_per_atom": -6.884008540243903,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.68435015,
"band_gap": 1.6998000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:58.985000Z",
"spacegroup": 1
},
{
"id": "mp-1111253",
"created_at": "2022-09-04T14:48:19.441925Z",
"structure_string": "Na2 Al1 Hg1 F6\n1.0\n0.000000 4.317932 4.317932\n4.317932 0.000000 4.317932\n4.317932 4.317932 0.000000\nNa Al Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.788347 0.211653 0.211653 F\n0.211653 0.211653 0.788347 F\n0.211653 0.788347 0.788347 F\n0.211653 0.788347 0.211653 F\n0.788347 0.211653 0.788347 F\n0.788347 0.788347 0.211653 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Al",
"Hg",
"F"
],
"chemical_system": "Al-F-Hg-Na",
"density": 3.9967770012320774,
"density_atomic": 0.062107294114665396,
"volume": 161.01168377320596,
"volume_molar": 9.696350236868543,
"formula_full": "Na2 Al1 Hg1 F6",
"formula_reduced": "Na2AlHgF6",
"formula_anonymous": "ABC2D6",
"energy": -46.11201996,
"energy_per_atom": -4.611201996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.34001995999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09.720000Z",
"spacegroup": 225
},
{
"id": "mp-1235608",
"created_at": "2022-09-04T14:48:19.445106Z",
"structure_string": "Sr2 Li1 Cu1 Br1 O2\n1.0\n4.117372 -0.014543 9.290120\n1.955022 3.623652 9.290120\n-0.024192 -0.014379 10.158920\nSr Li Cu Br O\n2 1 1 1 2\ndirect\n0.228467 0.228467 0.229625 Sr\n0.763682 0.763682 0.763414 Sr\n0.633264 0.633264 0.635092 Li\n0.502844 0.502844 0.503341 Cu\n0.999705 0.999705 0.001627 Br\n0.439896 0.439896 0.439856 O\n0.569642 0.569642 0.570795 O\n",
"nsites": 7,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Cu",
"Br",
"O"
],
"chemical_system": "Br-Cu-Li-O-Sr",
"density": 3.882297640870849,
"density_atomic": 0.0457619024240536,
"volume": 152.9656685846309,
"volume_molar": 13.159725538059389,
"formula_full": "Sr2 Li1 Cu1 Br1 O2",
"formula_reduced": "Sr2LiCuBrO2",
"formula_anonymous": "ABCD2E2",
"energy": -34.13648673,
"energy_per_atom": -4.8766409614285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.76248673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9622244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:50.333000Z",
"spacegroup": 160
},
{
"id": "mp-27046",
"created_at": "2022-09-04T14:48:19.447428Z",
"structure_string": "Co4 P4 O16\n1.0\n-2.984769 4.374452 0.000000\n-0.000026 -0.000017 6.411339\n6.418587 4.379518 -0.000038\nCo P O\n4 4 16\ndirect\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.750005 0.651369 P\n0.500000 0.749998 0.151380 P\n0.000000 0.249995 0.348631 P\n0.500000 0.250003 0.848620 P\n0.242869 0.750000 0.537658 O\n0.742768 0.749996 0.037637 O\n0.757131 0.250000 0.462342 O\n0.257231 0.250003 0.962363 O\n0.757131 0.749999 0.537657 O\n0.257232 0.749997 0.037637 O\n0.242869 0.250000 0.462343 O\n0.742768 0.250004 0.962363 O\n0.000000 0.551211 0.763366 O\n0.500000 0.551309 0.263534 O\n0.000000 0.051213 0.236641 O\n0.500000 0.051325 0.736468 O\n0.000000 0.448789 0.236634 O\n0.499999 0.448691 0.736466 O\n0.000000 0.948787 0.763359 O\n0.500000 0.948675 0.263532 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 3.8747677667779272,
"density_atomic": 0.09096961402609306,
"volume": 263.82435780277154,
"volume_molar": 6.619947577520395,
"formula_full": "Co4 P4 O16",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy": -179.39448036000002,
"energy_per_atom": -7.474770015000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.85048036,
"band_gap": 0.2776999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.883000Z",
"spacegroup": 63
},
{
"id": "mp-774317",
"created_at": "2022-09-04T14:48:19.449986Z",
"structure_string": "Li6 V2 P4 H4 O18\n1.0\n3.610705 7.235195 0.000000\n-3.610705 7.235195 0.000000\n0.000000 0.536962 6.852610\nLi V P H O\n6 2 4 4 18\ndirect\n0.377489 0.377489 0.698375 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.622511 0.622511 0.301625 Li\n0.751318 0.248682 0.000000 Li\n0.248682 0.751318 0.000000 Li\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.880910 0.880910 0.690627 P\n0.393155 0.393155 0.236618 P\n0.606845 0.606845 0.763382 P\n0.119090 0.119090 0.309373 P\n0.945973 0.945973 0.367773 H\n0.809577 0.809577 0.216252 H\n0.190423 0.190423 0.783748 H\n0.054027 0.054027 0.632227 H\n0.976359 0.976359 0.773825 O\n0.498660 0.498660 0.236514 O\n0.884143 0.884143 0.459528 O\n0.647308 0.004600 0.747439 O\n0.004600 0.647308 0.747439 O\n0.336627 0.336627 0.437435 O\n0.545665 0.189462 0.118732 O\n0.189462 0.545665 0.118732 O\n0.242558 0.242558 0.866060 O\n0.757442 0.757442 0.133940 O\n0.810538 0.454335 0.881268 O\n0.454335 0.810538 0.881268 O\n0.663373 0.663373 0.562565 O\n0.352692 0.995400 0.252561 O\n0.995400 0.352692 0.252561 O\n0.115857 0.115857 0.540472 O\n0.501340 0.501340 0.763486 O\n0.023641 0.023641 0.226175 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.5946467635302284,
"density_atomic": 0.0949621760298461,
"volume": 358.0372883337676,
"volume_molar": 6.3416204343372184,
"formula_full": "Li6 V2 P4 H4 O18",
"formula_reduced": "Li3VP2H2O9",
"formula_anonymous": "AB2C2D3E9",
"energy": -237.37914908,
"energy_per_atom": -6.981739678823529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.61314908,
"band_gap": 2.4006000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0000034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.081000Z",
"spacegroup": 12
},
{
"id": "mp-567545",
"created_at": "2022-09-04T14:48:19.556345Z",
"structure_string": "K1 In6 Au4\n1.0\n4.147090 -7.182971 0.000000\n4.147090 7.182971 0.000000\n0.000000 0.000000 4.506268\nK In Au\n1 6 4\ndirect\n0.000000 0.000000 0.000000 K\n0.931325 0.465663 0.000000 In\n0.196561 0.803439 0.500000 In\n0.534337 0.068675 0.000000 In\n0.534337 0.465663 0.000000 In\n0.196561 0.393121 0.500000 In\n0.606879 0.803439 0.500000 In\n0.409322 0.204661 0.500000 Au\n0.795339 0.204661 0.500000 Au\n0.795339 0.590678 0.500000 Au\n0.333333 0.666667 0.000000 Au\n",
"nsites": 11,
"nelements": 3,
"elements": [
"K",
"In",
"Au"
],
"chemical_system": "Au-In-K",
"density": 9.37599155540384,
"density_atomic": 0.040973031643392194,
"volume": 268.4692725629443,
"volume_molar": 14.697815900989603,
"formula_full": "K1 In6 Au4",
"formula_reduced": "K(In3Au2)2",
"formula_anonymous": "AB4C6",
"energy": -33.61514918,
"energy_per_atom": -3.055922652727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.61514918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039008,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:50.254000Z",
"spacegroup": 187
},
{
"id": "mp-974789",
"created_at": "2022-09-04T14:48:19.585786Z",
"structure_string": "Rb3 Sn1\n1.0\n0.000000 4.658584 4.658584\n4.658584 0.000000 4.658584\n4.658584 4.658584 0.000000\nRb Sn\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Sn"
],
"chemical_system": "Rb-Sn",
"density": 3.0804906010674102,
"density_atomic": 0.019781909167623266,
"volume": 202.20495231808746,
"volume_molar": 30.442667130715275,
"formula_full": "Rb3 Sn1",
"formula_reduced": "Rb3Sn",
"formula_anonymous": "AB3",
"energy": -6.89943672,
"energy_per_atom": -1.72485918,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.89943672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.000372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.650000Z",
"spacegroup": 225
},
{
"id": "mp-1174823",
"created_at": "2022-09-04T14:48:19.453785Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.443259 16.938315 0.000000\n-1.443259 16.938315 0.000000\n0.000000 0.362128 5.178048\nLi Mn Co O\n8 2 4 14\ndirect\n0.497285 0.497285 0.503877 Li\n0.071170 0.071170 0.634607 Li\n0.641208 0.641208 0.788720 Li\n0.211930 0.211930 0.932485 Li\n0.788264 0.788264 0.061299 Li\n0.926413 0.926413 0.351812 Li\n0.361150 0.361150 0.231861 Li\n0.430219 0.430219 0.851374 Li\n0.998293 0.998293 0.989172 Mn\n0.285961 0.285961 0.575680 Mn\n0.571417 0.571417 0.141271 Co\n0.142685 0.142685 0.278766 Co\n0.713162 0.713162 0.428805 Co\n0.863648 0.863648 0.746650 Co\n0.468950 0.468950 0.161251 O\n0.036792 0.036792 0.284879 O\n0.607512 0.607512 0.445833 O\n0.181213 0.181213 0.581241 O\n0.754090 0.754090 0.741116 O\n0.889357 0.889357 0.032680 O\n0.320313 0.320313 0.849720 O\n0.533289 0.533289 0.840940 O\n0.106009 0.106009 0.976975 O\n0.678231 0.678231 0.113242 O\n0.247564 0.247564 0.295608 O\n0.814994 0.814994 0.402936 O\n0.968415 0.968415 0.709265 O\n0.390467 0.390467 0.547933 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.100226314796836,
"density_atomic": 0.11059805365682344,
"volume": 253.16901224032088,
"volume_molar": 5.445069384933483,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -183.003374,
"energy_per_atom": -6.535834785714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.497374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0001768,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:10.341000Z",
"spacegroup": 8
},
{
"id": "mp-1217782",
"created_at": "2022-09-04T14:48:19.474300Z",
"structure_string": "Sr2 Sm2 Sc2 O8\n1.0\n2.850499 -6.145883 0.000000\n2.850499 6.145883 0.000000\n0.000000 0.000000 5.881809\nSr Sm Sc O\n2 2 2 8\ndirect\n0.604365 0.395635 0.511525 Sr\n0.395635 0.604365 0.011525 Sr\n0.894002 0.105998 0.490535 Sm\n0.105998 0.894002 0.990535 Sm\n0.253986 0.746014 0.494491 Sc\n0.746014 0.253986 0.994491 Sc\n0.583684 0.416316 0.928311 O\n0.932569 0.067431 0.105107 O\n0.416316 0.583684 0.428311 O\n0.067431 0.932569 0.605107 O\n0.018717 0.462162 0.735015 O\n0.981283 0.537838 0.235015 O\n0.462162 0.018717 0.235015 O\n0.537838 0.981283 0.735015 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Sm",
"Sc",
"O"
],
"chemical_system": "O-Sc-Sm-Sr",
"density": 5.590868159940823,
"density_atomic": 0.06793317945307278,
"volume": 206.08486328350037,
"volume_molar": 8.86480039427568,
"formula_full": "Sr2 Sm2 Sc2 O8",
"formula_reduced": "SrSmScO4",
"formula_anonymous": "ABCD4",
"energy": -115.85264894999996,
"energy_per_atom": -8.275189210714283,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.35664895,
"band_gap": 3.7388,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:50.221000Z",
"spacegroup": 36
}
]
}