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=-decomposes_to&page=51",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=49",
"results": [
{
"id": "mp-1224938",
"created_at": "2022-09-04T14:42:23.564902Z",
"structure_string": "Fe6 Mo12 Pd2 N4\n1.0\n6.691839 0.000000 0.000000\n0.000000 6.689512 0.000000\n0.000000 0.037980 6.732088\nFe Mo Pd N\n6 12 2 4\ndirect\n0.819232 0.677874 0.566293 Fe\n0.319232 0.322126 0.433707 Fe\n0.067929 0.561078 0.331387 Fe\n0.428495 0.080389 0.200045 Fe\n0.567929 0.438922 0.668613 Fe\n0.928495 0.919611 0.799955 Fe\n0.623336 0.045411 0.544278 Mo\n0.123336 0.954589 0.455722 Mo\n0.878623 0.554978 0.954598 Mo\n0.378623 0.445022 0.045402 Mo\n0.202507 0.619501 0.695695 Mo\n0.292459 0.126357 0.793795 Mo\n0.792459 0.873643 0.206205 Mo\n0.702507 0.380499 0.304305 Mo\n0.054165 0.211505 0.133368 Mo\n0.950790 0.298984 0.623268 Mo\n0.554165 0.788495 0.866632 Mo\n0.450790 0.701016 0.376732 Mo\n0.686257 0.184768 0.935073 Pd\n0.186257 0.815232 0.064927 Pd\n0.373248 0.873712 0.626542 N\n0.873248 0.126288 0.373458 N\n0.122958 0.375164 0.876872 N\n0.622958 0.624836 0.123128 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Fe",
"Mo",
"Pd",
"N"
],
"chemical_system": "Fe-Mo-N-Pd",
"density": 9.671418122003109,
"density_atomic": 0.0796382185489268,
"volume": 301.3628435856495,
"volume_molar": 7.561872766277685,
"formula_full": "Fe6 Mo12 Pd2 N4",
"formula_reduced": "Fe3Mo6PdN2",
"formula_anonymous": "AB2C3D6",
"energy": -229.88116438,
"energy_per_atom": -9.578381849166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.43716438,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.5654589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.778000Z",
"spacegroup": 4
},
{
"id": "mp-557475",
"created_at": "2022-09-04T14:42:23.573331Z",
"structure_string": "Ba2 Bi24 Mo8 W2 O68\n1.0\n5.925307 0.000000 0.000000\n0.000000 11.969908 0.000000\n0.000000 5.689575 24.930703\nBa Bi Mo W O\n2 24 8 2 68\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.473638 0.638539 0.321496 Bi\n0.525597 0.263457 0.841335 Bi\n0.027956 0.078683 0.906877 Bi\n0.965915 0.245015 0.102442 Bi\n0.525597 0.736543 0.658665 Bi\n0.071381 0.844047 0.245090 Bi\n0.027956 0.921317 0.593123 Bi\n0.034085 0.754985 0.897558 Bi\n0.570160 0.042332 0.174961 Bi\n0.429840 0.042332 0.674961 Bi\n0.965915 0.754985 0.397558 Bi\n0.526362 0.361461 0.678504 Bi\n0.473638 0.361461 0.178504 Bi\n0.474403 0.736543 0.158665 Bi\n0.972044 0.078683 0.406877 Bi\n0.429840 0.957668 0.825039 Bi\n0.972044 0.921317 0.093123 Bi\n0.474403 0.263457 0.341335 Bi\n0.928619 0.155953 0.754910 Bi\n0.071381 0.155953 0.254910 Bi\n0.034085 0.245015 0.602442 Bi\n0.928619 0.844047 0.745090 Bi\n0.570160 0.957668 0.325039 Bi\n0.526362 0.638539 0.821496 Bi\n0.523546 0.845264 0.986340 Mo\n0.991680 0.423271 0.420073 Mo\n0.991680 0.576729 0.079927 Mo\n0.008320 0.423271 0.920073 Mo\n0.476454 0.154736 0.013660 Mo\n0.476454 0.845264 0.486340 Mo\n0.008320 0.576729 0.579927 Mo\n0.523546 0.154736 0.513660 Mo\n0.021892 0.500000 0.750000 W\n0.978108 0.500000 0.250000 W\n0.745886 0.498001 0.585264 O\n0.745886 0.501999 0.914736 O\n0.413417 0.269967 0.541645 O\n0.216174 0.764294 0.333752 O\n0.756112 0.000000 0.250000 O\n0.623436 0.265216 0.758305 O\n0.724274 0.133740 0.340900 O\n0.790178 0.113528 0.547190 O\n0.764748 0.123240 0.844921 O\n0.910647 0.935347 0.367475 O\n0.376564 0.265216 0.258305 O\n0.235252 0.123240 0.344921 O\n0.545215 0.204891 0.441944 O\n0.158313 0.506895 0.192159 O\n0.322411 0.958887 0.969483 O\n0.841687 0.493105 0.807841 O\n0.376564 0.734784 0.241695 O\n0.254114 0.498001 0.085264 O\n0.158313 0.493105 0.307841 O\n0.910647 0.064653 0.132525 O\n0.254114 0.501999 0.414736 O\n0.413417 0.730033 0.958355 O\n0.677589 0.958887 0.469483 O\n0.076591 0.378705 0.989538 O\n0.841687 0.506895 0.692159 O\n0.764748 0.876760 0.655079 O\n0.586583 0.269967 0.041645 O\n0.233165 0.476904 0.605810 O\n0.545215 0.795109 0.058056 O\n0.923409 0.378705 0.489538 O\n0.285939 0.228390 0.667944 O\n0.089353 0.064653 0.632525 O\n0.790178 0.886472 0.952810 O\n0.076591 0.621295 0.510462 O\n0.268241 0.000000 0.250000 O\n0.010400 0.702627 0.107741 O\n0.233165 0.523096 0.894190 O\n0.203234 0.373648 0.758961 O\n0.923409 0.621295 0.010462 O\n0.677589 0.041113 0.030517 O\n0.714061 0.771610 0.332056 O\n0.766835 0.523096 0.394190 O\n0.243888 0.000000 0.750000 O\n0.089353 0.935347 0.867475 O\n0.209822 0.113528 0.047190 O\n0.731759 0.000000 0.750000 O\n0.783826 0.764294 0.833752 O\n0.724274 0.866260 0.159100 O\n0.010400 0.297373 0.392259 O\n0.275726 0.866260 0.659100 O\n0.454785 0.204891 0.941944 O\n0.275726 0.133740 0.840900 O\n0.285939 0.771610 0.832056 O\n0.216174 0.235706 0.166248 O\n0.586583 0.730033 0.458355 O\n0.796766 0.626352 0.241039 O\n0.454785 0.795109 0.558056 O\n0.322411 0.041113 0.530517 O\n0.989600 0.702627 0.607741 O\n0.783826 0.235706 0.666248 O\n0.623436 0.734784 0.741695 O\n0.209822 0.886472 0.452810 O\n0.203234 0.626352 0.741039 O\n0.235252 0.876760 0.155079 O\n0.796766 0.373648 0.258961 O\n0.989600 0.297373 0.892259 O\n0.766835 0.476904 0.105810 O\n0.714061 0.228390 0.167944 O\n",
"nsites": 104,
"nelements": 5,
"elements": [
"Ba",
"Bi",
"Mo",
"W",
"O"
],
"chemical_system": "Ba-Bi-Mo-O-W",
"density": 7.055797488591342,
"density_atomic": 0.0588162247723303,
"volume": 1768.2195755094792,
"volume_molar": 10.238910748370705,
"formula_full": "Ba2 Bi24 Mo8 W2 O68",
"formula_reduced": "BaBi12Mo4WO34",
"formula_anonymous": "ABC4D12E34",
"energy": -745.6676972,
"energy_per_atom": -7.169881703846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -664.4596972,
"band_gap": 3.0813,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.591000Z",
"spacegroup": 13
},
{
"id": "mp-776240",
"created_at": "2022-09-04T14:42:23.592453Z",
"structure_string": "Li4 Co3 Sn3 Sb2 O16\n1.0\n3.088889 5.361337 0.000000\n-3.088889 5.361337 0.000000\n0.000000 0.095814 9.865198\nLi Co Sn Sb O\n4 3 3 2 16\ndirect\n0.666718 0.666718 0.102822 Li\n0.982685 0.982685 0.021563 Li\n0.990257 0.990257 0.501688 Li\n0.331360 0.331360 0.588948 Li\n0.829443 0.829443 0.786347 Co\n0.176046 0.658593 0.287992 Co\n0.658593 0.176046 0.287992 Co\n0.339541 0.832103 0.786593 Sn\n0.832103 0.339541 0.786593 Sn\n0.171429 0.171429 0.287207 Sn\n0.673540 0.673540 0.506901 Sb\n0.342167 0.342167 0.021316 Sb\n0.341916 0.833554 0.411898 O\n0.518467 0.518467 0.653155 O\n0.663710 0.663710 0.896961 O\n0.000871 0.000871 0.691984 O\n0.002741 0.002741 0.203959 O\n0.833554 0.341916 0.411898 O\n0.516358 0.959747 0.652622 O\n0.959747 0.516358 0.652622 O\n0.167889 0.167889 0.904225 O\n0.832867 0.832867 0.409369 O\n0.038240 0.477641 0.143772 O\n0.477641 0.038240 0.143772 O\n0.331055 0.331055 0.391842 O\n0.170558 0.665380 0.905192 O\n0.484550 0.484550 0.147754 O\n0.665380 0.170558 0.905192 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Co",
"Sn",
"Sb",
"O"
],
"chemical_system": "Co-Li-O-Sb-Sn",
"density": 5.387996675024994,
"density_atomic": 0.0856932907372081,
"volume": 326.74670046067416,
"volume_molar": 7.027552225141918,
"formula_full": "Li4 Co3 Sn3 Sb2 O16",
"formula_reduced": "Li4Co3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -183.0741322,
"energy_per_atom": -6.538361864285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.1681322,
"band_gap": 0.375,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9977961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.678000Z",
"spacegroup": 8
},
{
"id": "mp-23597",
"created_at": "2022-09-04T14:42:23.593949Z",
"structure_string": "Sr4 Mn3 Cl2 O8\n1.0\n3.892164 0.000000 -0.462425\n-0.054940 3.891776 -0.462425\n0.007200 0.007302 16.671708\nSr Mn Cl O\n4 3 2 8\ndirect\n0.678029 0.678028 0.356056 Sr\n0.321973 0.321972 0.643944 Sr\n0.557083 0.557081 0.114165 Sr\n0.442917 0.442918 0.885834 Sr\n0.000000 0.000000 0.000000 Mn\n0.880354 0.880354 0.760707 Mn\n0.119648 0.119646 0.239293 Mn\n0.214502 0.214504 0.429005 Cl\n0.785497 0.785498 0.570995 Cl\n0.128820 0.628820 0.257641 O\n0.371181 0.871179 0.742359 O\n0.999999 0.499999 0.000000 O\n0.500001 0.000000 0.000000 O\n0.628821 0.128820 0.257641 O\n0.059881 0.059883 0.119764 O\n0.871180 0.371180 0.742359 O\n0.940119 0.940119 0.880236 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Sr",
"density": 4.695716215726731,
"density_atomic": 0.06731078529211976,
"volume": 252.55982271224863,
"volume_molar": 8.946769427610624,
"formula_full": "Sr4 Mn3 Cl2 O8",
"formula_reduced": "Sr4Mn3(ClO4)2",
"formula_anonymous": "A2B3C4D8",
"energy": -122.02923271,
"energy_per_atom": -7.1781901594117645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.30123271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0000471,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.672000Z",
"spacegroup": 139
},
{
"id": "mp-735132",
"created_at": "2022-09-04T14:42:23.604180Z",
"structure_string": "Na8 P8 O28\n1.0\n13.664229 0.000000 0.000000\n0.000000 7.042397 0.000000\n0.000000 0.979860 7.090250\nNa P O\n8 8 28\ndirect\n0.898187 0.542926 0.848937 Na\n0.398187 0.957074 0.151063 Na\n0.101813 0.457074 0.151063 Na\n0.601813 0.042926 0.848937 Na\n0.870722 0.159634 0.225847 Na\n0.370722 0.340366 0.774153 Na\n0.129278 0.840366 0.774153 Na\n0.629278 0.659634 0.225847 Na\n0.894883 0.658941 0.312507 P\n0.394883 0.841059 0.687493 P\n0.105117 0.341059 0.687493 P\n0.605117 0.158941 0.312507 P\n0.923343 0.078707 0.750537 P\n0.423343 0.421293 0.249463 P\n0.076657 0.921293 0.249463 P\n0.576657 0.578707 0.750537 P\n0.791693 0.739571 0.273145 O\n0.291693 0.760429 0.726855 O\n0.208307 0.260429 0.726855 O\n0.708307 0.239571 0.273145 O\n0.898328 0.582123 0.521707 O\n0.398328 0.917877 0.478293 O\n0.101672 0.417877 0.478293 O\n0.601672 0.082123 0.521707 O\n0.926846 0.516601 0.183094 O\n0.426846 0.983399 0.816906 O\n0.073154 0.483399 0.816906 O\n0.573154 0.016601 0.183094 O\n0.963233 0.848580 0.273824 O\n0.463233 0.651420 0.726176 O\n0.036767 0.151420 0.726176 O\n0.536767 0.348580 0.273824 O\n0.936581 0.866535 0.823912 O\n0.436581 0.633465 0.176088 O\n0.063419 0.133465 0.176088 O\n0.563419 0.366535 0.823912 O\n0.870942 0.196394 0.882148 O\n0.370942 0.303606 0.117852 O\n0.129058 0.803606 0.117852 O\n0.629058 0.696394 0.882148 O\n0.876023 0.092920 0.556268 O\n0.376023 0.407080 0.443732 O\n0.123977 0.907080 0.443732 O\n0.623977 0.592920 0.556268 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Na",
"P",
"O"
],
"chemical_system": "Na-O-P",
"density": 2.1409783929700237,
"density_atomic": 0.06448897768541163,
"volume": 682.2871377282424,
"volume_molar": 9.338248141220415,
"formula_full": "Na8 P8 O28",
"formula_reduced": "Na2P2O7",
"formula_anonymous": "A2B2C7",
"energy": -292.84871028,
"energy_per_atom": -6.655652506363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -273.61271028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0078488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.227000Z",
"spacegroup": 14
},
{
"id": "mp-9607",
"created_at": "2022-09-04T14:42:23.519346Z",
"structure_string": "Li8 U4 O16\n1.0\n5.182156 0.000000 0.000000\n0.000000 6.104953 0.000000\n0.000000 0.000000 10.673786\nLi U O\n8 4 16\ndirect\n0.540200 0.750000 0.923774 Li\n0.040200 0.250000 0.576226 Li\n0.459800 0.250000 0.076226 Li\n0.959800 0.750000 0.423774 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.987697 0.750000 0.738383 U\n0.487697 0.250000 0.761617 U\n0.012303 0.250000 0.261617 U\n0.512303 0.750000 0.238383 U\n0.173777 0.750000 0.897710 O\n0.214424 0.250000 0.414048 O\n0.285576 0.250000 0.914048 O\n0.714424 0.750000 0.085952 O\n0.266098 0.013647 0.167264 O\n0.766098 0.986353 0.332736 O\n0.733902 0.513647 0.832736 O\n0.233902 0.486353 0.667264 O\n0.733902 0.986353 0.832736 O\n0.233902 0.013647 0.667264 O\n0.266098 0.486353 0.167264 O\n0.766098 0.513647 0.332736 O\n0.826223 0.250000 0.102290 O\n0.326223 0.750000 0.397710 O\n0.785576 0.750000 0.585952 O\n0.673777 0.250000 0.602290 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"U",
"O"
],
"chemical_system": "Li-O-U",
"density": 6.213826391054607,
"density_atomic": 0.08291760180390763,
"volume": 337.68463379123506,
"volume_molar": 7.262801418499535,
"formula_full": "Li8 U4 O16",
"formula_reduced": "Li2UO4",
"formula_anonymous": "AB2C4",
"energy": -227.61375829,
"energy_per_atom": -8.129062796071429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -216.62175829,
"band_gap": 2.0119,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037992,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.907000Z",
"spacegroup": 62
},
{
"id": "mp-1516822",
"created_at": "2022-09-04T14:42:23.522751Z",
"structure_string": "Sr1 Zn1 Se4 O12\n1.0\n0.000000 -3.723973 -4.254314\n0.000000 -3.723973 4.254314\n-7.519404 0.000000 0.000000\nSr Zn Se O\n1 1 4 12\ndirect\n0.553632 0.446368 0.500000 Sr\n0.989887 0.010113 -0.000000 Zn\n0.518095 0.959783 0.244189 Se\n0.518095 0.959783 0.755811 Se\n0.040217 0.481905 0.755811 Se\n0.040217 0.481905 0.244189 Se\n0.279534 0.340904 0.242568 O\n0.659096 0.720466 0.242568 O\n0.659096 0.720466 0.757432 O\n0.279534 0.340904 0.757432 O\n0.178390 0.821610 0.183155 O\n0.795606 0.204394 0.294914 O\n0.795606 0.204394 0.705086 O\n0.178390 0.821610 0.816845 O\n0.600693 0.044757 -0.000000 O\n0.444817 0.981949 0.500000 O\n0.955243 0.399307 0.000000 O\n0.018051 0.555183 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Zn",
"Se",
"O"
],
"chemical_system": "O-Se-Sr-Zn",
"density": 4.605855060155944,
"density_atomic": 0.07554800943798673,
"volume": 238.2590902646512,
"volume_molar": 7.971276549573752,
"formula_full": "Sr1 Zn1 Se4 O12",
"formula_reduced": "SrZn(SeO3)4",
"formula_anonymous": "ABC4D12",
"energy": -97.01991606,
"energy_per_atom": -5.389995336666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.77591606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.489000Z",
"spacegroup": 38
},
{
"id": "mp-1105447",
"created_at": "2022-09-04T14:42:23.529466Z",
"structure_string": "Ba2 Se4 O12\n1.0\n5.154738 -0.099900 1.246578\n1.501585 8.004579 2.804962\n-0.080445 1.267370 7.829821\nBa Se O\n2 4 12\ndirect\n0.189849 0.163060 0.087454 Ba\n0.810151 0.836940 0.912546 Ba\n0.659815 0.848555 0.437581 Se\n0.340185 0.151445 0.562419 Se\n0.762065 0.506474 0.484206 Se\n0.237935 0.493526 0.515794 Se\n0.553897 0.350358 0.177319 O\n0.446103 0.649642 0.822681 O\n0.743994 0.441956 0.092262 O\n0.256006 0.558044 0.907737 O\n0.763880 0.326697 0.746175 O\n0.236120 0.673303 0.253825 O\n0.596605 0.200095 0.793685 O\n0.403395 0.799905 0.206315 O\n0.763263 0.977196 0.200477 O\n0.236737 0.022804 0.799523 O\n0.112466 0.162501 0.437737 O\n0.887534 0.837499 0.562263 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Se",
"O"
],
"chemical_system": "Ba-O-Se",
"density": 4.20341587229393,
"density_atomic": 0.05823026243527189,
"volume": 309.11761766501735,
"volume_molar": 10.341943360969983,
"formula_full": "Ba2 Se4 O12",
"formula_reduced": "Ba(SeO3)2",
"formula_anonymous": "AB2C6",
"energy": -93.10127165,
"energy_per_atom": -5.172292869444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.16927165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0811594,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.053000Z",
"spacegroup": 2
},
{
"id": "mp-1185504",
"created_at": "2022-09-04T14:42:23.548846Z",
"structure_string": "Lu1 Te1\n1.0\n2.015686 -3.491270 0.000000\n2.015686 3.491270 0.000000\n0.000000 0.000000 3.978724\nLu Te\n1 1\ndirect\n0.333333 0.666667 0.500000 Lu\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Te"
],
"chemical_system": "Lu-Te",
"density": 8.972026162786815,
"density_atomic": 0.03571493551734113,
"volume": 55.99898112734697,
"volume_molar": 16.86168733827335,
"formula_full": "Lu1 Te1",
"formula_reduced": "LuTe",
"formula_anonymous": "AB",
"energy": -10.34561647,
"energy_per_atom": -5.172808235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.92361647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7764289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.161000Z",
"spacegroup": 187
},
{
"id": "mp-1210747",
"created_at": "2022-09-04T14:42:23.554908Z",
"structure_string": "Li2 In1 Pb1\n1.0\n0.000000 3.607540 3.607540\n3.607540 0.000000 3.607540\n3.607540 3.607540 0.000000\nLi In Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Pb"
],
"chemical_system": "In-Li-Pb",
"density": 5.940125765417531,
"density_atomic": 0.0425987180753906,
"volume": 93.89953925188213,
"volume_molar": 14.136906066849484,
"formula_full": "Li2 In1 Pb1",
"formula_reduced": "Li2InPb",
"formula_anonymous": "ABC2",
"energy": -10.9315722,
"energy_per_atom": -2.73289305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.9315722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068404,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.039000Z",
"spacegroup": 216
},
{
"id": "mp-1100647",
"created_at": "2022-09-04T14:42:23.706910Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.446168 7.638479 0.000000\n-1.446168 7.638479 0.000000\n0.000000 0.751876 13.109646\nLi Mn Co O\n9 2 5 16\ndirect\n0.436316 0.436316 0.194022 Li\n0.314152 0.314152 0.569993 Li\n0.186139 0.186139 0.927372 Li\n0.064116 0.064116 0.315497 Li\n0.931756 0.931756 0.687587 Li\n0.811294 0.811294 0.061583 Li\n0.686598 0.686598 0.440725 Li\n0.565068 0.565068 0.805415 Li\n0.750797 0.750797 0.747202 Li\n0.000355 0.000355 0.997181 Mn\n0.370188 0.370188 0.864924 Mn\n0.875890 0.875890 0.378309 Co\n0.625576 0.625576 0.128764 Co\n0.503002 0.503002 0.500333 Co\n0.250768 0.250768 0.253717 Co\n0.130670 0.130670 0.636860 Co\n0.412028 0.412028 0.018337 O\n0.287856 0.287856 0.402485 O\n0.152046 0.152046 0.771592 O\n0.041388 0.041388 0.153571 O\n0.911197 0.911197 0.528293 O\n0.789845 0.789845 0.904093 O\n0.664274 0.664274 0.280697 O\n0.543015 0.543015 0.648404 O\n0.463740 0.463740 0.349457 O\n0.345513 0.345513 0.730037 O\n0.209276 0.209276 0.101317 O\n0.087040 0.087040 0.472812 O\n0.956278 0.956278 0.842701 O\n0.839800 0.839800 0.222626 O\n0.708590 0.708590 0.595442 O\n0.585427 0.585427 0.968651 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.145163621237207,
"density_atomic": 0.11048501566816993,
"volume": 289.6320356790157,
"volume_molar": 5.450640273326171,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.90812239,
"energy_per_atom": -6.4971288246875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.39012239,
"band_gap": 0.0651000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0007174,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.098000Z",
"spacegroup": 8
},
{
"id": "mp-1022642",
"created_at": "2022-09-04T14:42:21.836574Z",
"structure_string": "Mg12 Zn2 Sb2\n1.0\n5.295008 0.000000 0.000000\n0.000000 6.149610 0.000000\n0.000000 0.000000 10.866868\nMg Zn Sb\n12 2 2\ndirect\n0.000000 0.249675 0.084388 Mg\n0.000000 0.750325 0.084388 Mg\n0.000000 0.000000 0.332443 Mg\n0.500000 0.745579 0.411096 Mg\n0.500000 0.254421 0.411096 Mg\n0.500000 0.000000 0.165941 Mg\n0.000000 0.749675 0.584388 Mg\n0.000000 0.250325 0.584388 Mg\n0.000000 0.500000 0.832443 Mg\n0.500000 0.245579 0.911096 Mg\n0.500000 0.754421 0.911096 Mg\n0.500000 0.500000 0.665941 Mg\n0.000000 0.500000 0.349132 Zn\n0.000000 0.000000 0.849132 Zn\n0.500000 0.500000 0.161516 Sb\n0.500000 0.000000 0.661516 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Sb"
],
"chemical_system": "Mg-Sb-Zn",
"density": 3.125384369533515,
"density_atomic": 0.045216963676020634,
"volume": 353.8495002592376,
"volume_molar": 13.318321865104908,
"formula_full": "Mg12 Zn2 Sb2",
"formula_reduced": "Mg6ZnSb",
"formula_anonymous": "ABC6",
"energy": -31.15017459,
"energy_per_atom": -1.946885911875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.76617459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.847000Z",
"spacegroup": 38
}
]
}