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_stable&page=76",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=74",
"results": [
{
"id": "mp-1206652",
"created_at": "2022-09-04T14:41:14.058890Z",
"structure_string": "Hf2 Au2\n1.0\n2.809370 0.000000 0.000000\n0.000000 2.809370 0.000000\n0.000000 0.000000 11.555545\nHf Au\n2 2\ndirect\n0.500000 0.500000 0.136574 Hf\n0.500000 0.500000 0.863426 Hf\n0.500000 0.500000 0.629912 Au\n0.500000 0.500000 0.370088 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Au"
],
"chemical_system": "Au-Hf",
"density": 13.671950778973207,
"density_atomic": 0.04385828821826862,
"volume": 91.2028298982688,
"volume_molar": 13.730906983942779,
"formula_full": "Hf2 Au2",
"formula_reduced": "HfAu",
"formula_anonymous": "AB",
"energy": -24.36112274,
"energy_per_atom": -6.090280685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.36112274,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.663000Z",
"spacegroup": 123
},
{
"id": "mp-637866",
"created_at": "2022-09-04T14:41:14.059642Z",
"structure_string": "Sc9 Ni5 Ge8\n1.0\n-1.961397 4.536767 10.493562\n1.961397 -4.536767 10.493562\n1.961397 4.536767 -10.493562\nSc Ni Ge\n9 5 8\ndirect\n0.220084 0.414719 0.805365 Sc\n0.727664 0.727664 0.000000 Sc\n0.609355 0.414719 0.194635 Sc\n0.107583 0.107583 0.000000 Sc\n0.779916 0.585281 0.194635 Sc\n0.390645 0.585281 0.805365 Sc\n0.892417 0.892417 0.000000 Sc\n0.272336 0.272336 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.079292 0.804381 0.274912 Ni\n0.920708 0.195619 0.725088 Ni\n0.529469 0.804381 0.725088 Ni\n0.000000 0.500000 0.500000 Ni\n0.470531 0.195619 0.274912 Ni\n0.670806 0.308628 0.362177 Ge\n0.187270 0.000000 0.187270 Ge\n0.366371 0.866371 0.500000 Ge\n0.053549 0.691372 0.362177 Ge\n0.812730 0.000000 0.812730 Ge\n0.329194 0.691372 0.637823 Ge\n0.633629 0.133629 0.500000 Ge\n0.946451 0.308628 0.637823 Ge\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Sc",
"density": 5.687079739550611,
"density_atomic": 0.05890169257522767,
"volume": 373.5036980796806,
"volume_molar": 10.224053837347176,
"formula_full": "Sc9 Ni5 Ge8",
"formula_reduced": "Sc9Ni5Ge8",
"formula_anonymous": "A5B8C9",
"energy": -139.72125745,
"energy_per_atom": -6.350966247727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.72125745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017136,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.404000Z",
"spacegroup": 71
},
{
"id": "mp-560182",
"created_at": "2022-09-04T14:41:14.065133Z",
"structure_string": "Ag4 H44 C16 S12 O12\n1.0\n7.691778 0.000000 0.000000\n0.000000 9.804316 0.000000\n0.000000 9.478340 13.942153\nAg H C S O\n4 44 16 12 12\ndirect\n0.810604 0.502056 0.958636 Ag\n0.189396 0.497944 0.041364 Ag\n0.310604 0.497944 0.541364 Ag\n0.689396 0.502056 0.458636 Ag\n0.047047 0.416022 0.263290 H\n0.249418 0.825519 0.585503 H\n0.364388 0.852784 0.342185 H\n0.510301 0.991401 0.657313 H\n0.547047 0.583978 0.236710 H\n0.844769 0.122416 0.525307 H\n0.751144 0.474517 0.777653 H\n0.010301 0.008599 0.842687 H\n0.843873 0.833870 0.450779 H\n0.762838 0.662034 0.661061 H\n0.818124 0.990289 0.024089 H\n0.458554 0.138940 0.149400 H\n0.155231 0.877584 0.474693 H\n0.750582 0.174481 0.414497 H\n0.181876 0.009711 0.975911 H\n0.452953 0.416022 0.763290 H\n0.041446 0.138940 0.649400 H\n0.489699 0.008599 0.342687 H\n0.681876 0.990289 0.524089 H\n0.251144 0.525483 0.722347 H\n0.952953 0.583978 0.736710 H\n0.156127 0.166130 0.549221 H\n0.323711 0.974326 0.166682 H\n0.318124 0.009711 0.475911 H\n0.864388 0.147216 0.157815 H\n0.737162 0.662034 0.161061 H\n0.248856 0.525483 0.222347 H\n0.748856 0.474517 0.277653 H\n0.676289 0.025674 0.833318 H\n0.989699 0.991401 0.157313 H\n0.541446 0.861060 0.850600 H\n0.655231 0.122416 0.025307 H\n0.250582 0.825519 0.085503 H\n0.237162 0.337966 0.338939 H\n0.656127 0.833870 0.950779 H\n0.262838 0.337966 0.838939 H\n0.958554 0.861060 0.350600 H\n0.344769 0.877584 0.974693 H\n0.135612 0.852784 0.842185 H\n0.343873 0.166130 0.049221 H\n0.823711 0.025674 0.333318 H\n0.635612 0.147216 0.657815 H\n0.176289 0.974326 0.666682 H\n0.749418 0.174481 0.914497 H\n0.975871 0.124049 0.126317 C\n0.226090 0.882217 0.008977 C\n0.334461 0.448854 0.785082 C\n0.660680 0.891391 0.873242 C\n0.773910 0.117783 0.991023 C\n0.165539 0.448854 0.285082 C\n0.024129 0.875951 0.873683 C\n0.726090 0.117783 0.491023 C\n0.834461 0.551146 0.714918 C\n0.339320 0.108609 0.126758 C\n0.839320 0.891391 0.373242 C\n0.665539 0.551146 0.214918 C\n0.160680 0.108609 0.626758 C\n0.273910 0.882217 0.508977 C\n0.475871 0.875951 0.373683 C\n0.524129 0.124049 0.626317 C\n0.664220 0.806961 0.341772 S\n0.164220 0.193039 0.158228 S\n0.053062 0.762796 0.003051 S\n0.446938 0.762796 0.503051 S\n0.104972 0.561639 0.335179 S\n0.395028 0.561639 0.835179 S\n0.835780 0.806961 0.841772 S\n0.335780 0.193039 0.658228 S\n0.553062 0.237204 0.496949 S\n0.946938 0.237204 0.996949 S\n0.604972 0.438361 0.164821 S\n0.895028 0.438361 0.664821 S\n0.984261 0.451180 0.414461 O\n0.731428 0.409426 0.629598 O\n0.484261 0.548820 0.085539 O\n0.475429 0.715902 0.757268 O\n0.231428 0.590574 0.870402 O\n0.015739 0.548820 0.585539 O\n0.524571 0.284098 0.242732 O\n0.268572 0.590574 0.370402 O\n0.975429 0.284098 0.742732 O\n0.768572 0.409426 0.129598 O\n0.024571 0.715902 0.257268 O\n0.515739 0.451180 0.914461 O\n",
"nsites": 88,
"nelements": 5,
"elements": [
"Ag",
"H",
"C",
"S",
"O"
],
"chemical_system": "Ag-C-H-O-S",
"density": 1.9659070707998343,
"density_atomic": 0.08369678697614918,
"volume": 1051.4143156424523,
"volume_molar": 7.195187506679452,
"formula_full": "Ag4 H44 C16 S12 O12",
"formula_reduced": "AgH11C4(SO)3",
"formula_anonymous": "AB3C3D4E11",
"energy": -455.97932741,
"energy_per_atom": -5.181583266022727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -447.7353274100001,
"band_gap": 3.388,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003296,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.428000Z",
"spacegroup": 14
},
{
"id": "mp-721034",
"created_at": "2022-09-04T14:41:14.070002Z",
"structure_string": "Na1 Fe9 Si6 B3 H2 O31\n1.0\n8.184869 5.385379 0.000000\n-8.184869 5.385379 0.000000\n0.000000 3.613126 6.695614\nNa Fe Si B H O\n1 9 6 3 2 31\ndirect\n0.003580 0.003580 0.762551 Na\n0.551424 0.338364 0.095317 Fe\n0.226225 0.667124 0.421105 Fe\n0.996843 0.821833 0.413357 Fe\n0.189843 0.189843 0.233222 Fe\n0.772121 0.438475 0.651427 Fe\n0.338364 0.551424 0.095317 Fe\n0.821833 0.996843 0.413357 Fe\n0.667124 0.226225 0.421105 Fe\n0.438475 0.772121 0.651427 Fe\n0.623647 0.813993 0.187474 Si\n0.808602 0.187006 0.000810 Si\n0.374710 0.188218 0.811385 Si\n0.187006 0.808602 0.000810 Si\n0.813993 0.623647 0.187474 Si\n0.188218 0.374710 0.811385 Si\n0.328080 0.000802 0.434684 B\n0.673585 0.673585 0.761708 B\n0.000802 0.328080 0.434684 B\n0.999528 0.630473 0.734589 H\n0.630473 0.999528 0.734589 H\n0.727164 0.000472 0.005439 O\n0.279329 0.562230 0.644556 O\n0.719067 0.438339 0.205170 O\n0.474999 0.143725 0.353255 O\n0.326107 0.853719 0.500193 O\n0.725243 0.725243 0.113437 O\n0.998629 0.275945 0.836444 O\n0.377072 0.195858 0.022299 O\n0.177513 0.797921 0.221372 O\n0.384704 0.384704 0.218885 O\n0.000078 0.614605 0.612862 O\n0.184843 0.002431 0.448043 O\n0.717892 0.282220 0.923385 O\n0.438339 0.719067 0.205170 O\n0.195858 0.377072 0.022299 O\n0.823747 0.622173 0.398765 O\n0.012055 0.012055 0.214713 O\n0.143725 0.474999 0.353255 O\n0.672594 0.527526 0.824728 O\n0.002431 0.184843 0.448043 O\n0.817526 0.817526 0.636600 O\n0.527526 0.672594 0.824728 O\n0.853719 0.326107 0.500193 O\n0.622173 0.823747 0.398765 O\n0.797921 0.177513 0.221372 O\n0.614605 0.000078 0.612862 O\n0.000472 0.727164 0.005439 O\n0.269797 0.269797 0.737468 O\n0.562230 0.279329 0.644556 O\n0.282220 0.717892 0.923385 O\n0.275945 0.998629 0.836444 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Fe",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Fe-H-Na-O-Si",
"density": 3.4448710663118973,
"density_atomic": 0.08809574524849824,
"volume": 590.266872177762,
"volume_molar": 6.835904211960405,
"formula_full": "Na1 Fe9 Si6 B3 H2 O31",
"formula_reduced": "NaFe9Si6B3H2O31",
"formula_anonymous": "AB2C3D6E9F31",
"energy": -414.81043519,
"energy_per_atom": -7.977123753653847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -373.20943519,
"band_gap": 0.8508,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 44.0005377,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.945000Z",
"spacegroup": 8
},
{
"id": "mp-1370001",
"created_at": "2022-09-04T14:41:14.073627Z",
"structure_string": "Ca2 Co9 O13\n1.0\n1.525521 5.008132 0.000000\n-1.525521 5.008132 0.000000\n0.000000 2.622135 16.404791\nCa Co O\n2 9 13\ndirect\n0.782899 0.782899 0.227846 Ca\n0.217101 0.217101 0.772154 Ca\n0.500000 0.500000 0.500000 Co\n0.354874 0.354874 0.037888 Co\n0.645126 0.645126 0.962112 Co\n0.245576 0.245576 0.421004 Co\n0.754424 0.754424 0.578996 Co\n0.062268 0.062268 0.124254 Co\n0.937732 0.937732 0.875746 Co\n0.998960 0.998960 0.338989 Co\n0.001040 0.001040 0.661011 Co\n0.000000 0.000000 0.000000 O\n0.108216 0.108216 0.225013 O\n0.891784 0.891784 0.774987 O\n0.701988 0.701988 0.075343 O\n0.298012 0.298012 0.924657 O\n0.424962 0.424962 0.142149 O\n0.575038 0.575038 0.857851 O\n0.366443 0.366443 0.319042 O\n0.633557 0.633557 0.680958 O\n0.616328 0.616328 0.387019 O\n0.383672 0.383672 0.612981 O\n0.869342 0.869342 0.465840 O\n0.130658 0.130658 0.534160 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 5.422481010113058,
"density_atomic": 0.09574510653975914,
"volume": 250.66555218708493,
"volume_molar": 6.2897634956406305,
"formula_full": "Ca2 Co9 O13",
"formula_reduced": "Ca2Co9O13",
"formula_anonymous": "A2B9C13",
"energy": -169.07821321,
"energy_per_atom": -7.044925550416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.40521321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.8081288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.692000Z",
"spacegroup": 12
},
{
"id": "mp-1189391",
"created_at": "2022-09-04T14:41:14.082959Z",
"structure_string": "Nd3 Ga6 Co9\n1.0\n0.000000 0.000000 -3.848926\n-4.543223 -7.869093 0.000000\n-4.548235 7.871987 0.000000\nNd Ga Co\n3 6 9\ndirect\n0.000000 0.000014 0.000000 Nd\n0.500000 0.333326 0.666663 Nd\n0.500000 0.666663 0.333337 Nd\n0.500000 0.312303 0.000000 Ga\n0.500000 0.687931 0.687986 Ga\n0.500000 0.999945 0.312014 Ga\n0.500000 0.687695 0.000000 Ga\n0.500000 0.312061 0.312024 Ga\n0.500000 0.000036 0.687976 Ga\n0.000000 0.499999 0.000000 Co\n0.000000 0.499992 0.500009 Co\n0.000000 0.999983 0.499991 Co\n0.000000 0.182404 0.364815 Co\n0.000000 0.182626 0.817662 Co\n0.000000 0.635008 0.817650 Co\n0.000000 0.817590 0.635185 Co\n0.000000 0.364963 0.182338 Co\n0.000000 0.817359 0.182350 Co\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Nd",
"density": 8.329341982123694,
"density_atomic": 0.06535742309560073,
"volume": 275.4086551679177,
"volume_molar": 9.214164933019454,
"formula_full": "Nd3 Ga6 Co9",
"formula_reduced": "NdGa2Co3",
"formula_anonymous": "AB2C3",
"energy": -102.41652143,
"energy_per_atom": -5.6898067461111115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.41652143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6611989,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.158000Z",
"spacegroup": 191
},
{
"id": "mp-1290304",
"created_at": "2022-09-04T14:41:14.086277Z",
"structure_string": "Cd4 Fe4 O12\n1.0\n5.379141 0.000877 -0.012298\n0.000906 5.506005 0.000375\n-0.017552 0.000515 7.669548\nCd Fe O\n4 4 12\ndirect\n0.012283 0.951898 0.751351 Cd\n0.487668 0.451928 0.748693 Cd\n0.512455 0.548096 0.251317 Cd\n0.987606 0.048128 0.248622 Cd\n0.000087 0.500005 0.499993 Fe\n0.499905 0.999977 0.000005 Fe\n0.999969 0.500002 0.999991 Fe\n0.500033 0.000016 0.499993 Fe\n0.102584 0.459969 0.255222 O\n0.397426 0.959817 0.244695 O\n0.602482 0.040167 0.755315 O\n0.897511 0.540044 0.744765 O\n0.192409 0.209204 0.556550 O\n0.204429 0.201622 0.946936 O\n0.295676 0.701723 0.553006 O\n0.307516 0.709077 0.943476 O\n0.692378 0.290866 0.056523 O\n0.704445 0.298312 0.447035 O\n0.795431 0.798343 0.053056 O\n0.807708 0.790806 0.443458 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"Fe",
"O"
],
"chemical_system": "Cd-Fe-O",
"density": 6.323486941800345,
"density_atomic": 0.08804667948808292,
"volume": 227.15223465874132,
"volume_molar": 6.839713655317455,
"formula_full": "Cd4 Fe4 O12",
"formula_reduced": "CdFeO3",
"formula_anonymous": "ABC3",
"energy": -123.26783327,
"energy_per_atom": -6.1633916635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.99983327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9991184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.905000Z",
"spacegroup": 14
},
{
"id": "mp-1071765",
"created_at": "2022-09-04T14:41:14.087224Z",
"structure_string": "U2 Sb2 S2\n1.0\n4.080357 0.000000 0.000000\n0.000000 4.080357 0.000000\n0.000000 0.000000 8.390184\nU Sb S\n2 2 2\ndirect\n0.000000 0.500000 0.692009 U\n0.500000 0.000000 0.307991 U\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.366507 S\n0.500000 0.000000 0.633493 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Sb",
"S"
],
"chemical_system": "S-Sb-U",
"density": 9.31612845527597,
"density_atomic": 0.042952004931098894,
"volume": 139.69080161973466,
"volume_molar": 14.020627837187972,
"formula_full": "U2 Sb2 S2",
"formula_reduced": "USbS",
"formula_anonymous": "ABC",
"energy": -45.88675287,
"energy_per_atom": -7.647792145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.49675287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5403136,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.849000Z",
"spacegroup": 129
},
{
"id": "mp-1217634",
"created_at": "2022-09-04T14:41:14.184385Z",
"structure_string": "Tb3 Sc2 S7\n1.0\n1.880086 6.232373 0.000000\n-1.880086 6.232373 0.000000\n0.000000 2.942010 11.035198\nTb Sc S\n3 2 7\ndirect\n0.304330 0.304330 0.798931 Tb\n0.695670 0.695670 0.201069 Tb\n0.000000 0.000000 0.000000 Tb\n0.111479 0.111479 0.570758 Sc\n0.888521 0.888521 0.429242 Sc\n0.263128 0.263128 0.362067 S\n0.736872 0.736872 0.637933 S\n0.662606 0.662606 0.946909 S\n0.337394 0.337394 0.053091 S\n0.968613 0.968613 0.775658 S\n0.031387 0.031387 0.224342 S\n0.500000 0.500000 0.500000 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Sc",
"S"
],
"chemical_system": "S-Sc-Tb",
"density": 5.079988622413565,
"density_atomic": 0.04640234914728445,
"volume": 258.60759682470217,
"volume_molar": 12.97809458069738,
"formula_full": "Tb3 Sc2 S7",
"formula_reduced": "Tb3Sc2S7",
"formula_anonymous": "A2B3C7",
"energy": -83.22826263,
"energy_per_atom": -6.9356885525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.70726263,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0178015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.658000Z",
"spacegroup": 12
},
{
"id": "mp-1191589",
"created_at": "2022-09-04T14:41:17.082754Z",
"structure_string": "Ca2 Ni12 As7\n1.0\n4.694749 -8.131545 0.000000\n4.694749 8.131545 0.000000\n0.000000 0.000000 3.819377\nCa Ni As\n2 12 7\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 Ca\n0.388412 0.285022 0.000000 Ni\n0.896609 0.611588 0.000000 Ni\n0.714978 0.103391 0.000000 Ni\n0.613685 0.794938 0.000000 Ni\n0.181253 0.386315 0.000000 Ni\n0.205062 0.818747 0.000000 Ni\n0.757117 0.714799 0.500000 Ni\n0.957682 0.242883 0.500000 Ni\n0.285201 0.042318 0.500000 Ni\n0.429043 0.552206 0.500000 Ni\n0.123163 0.570957 0.500000 Ni\n0.447794 0.876837 0.500000 Ni\n0.620567 0.549205 0.000000 As\n0.928638 0.379433 0.000000 As\n0.450795 0.071362 0.000000 As\n0.737976 0.964859 0.500000 As\n0.226883 0.262024 0.500000 As\n0.035141 0.773117 0.500000 As\n0.333333 0.666667 0.000000 As\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"As"
],
"chemical_system": "As-Ca-Ni",
"density": 7.4534421240696584,
"density_atomic": 0.07201306949630693,
"volume": 291.61373271385065,
"volume_molar": 8.362566409294407,
"formula_full": "Ca2 Ni12 As7",
"formula_reduced": "Ca2Ni12As7",
"formula_anonymous": "A2B7C12",
"energy": -115.86056282,
"energy_per_atom": -5.517169658095238,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.86056282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004452,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.359000Z",
"spacegroup": 174
},
{
"id": "mp-1078198",
"created_at": "2022-09-04T14:41:17.088824Z",
"structure_string": "Ba2 Co1 Ag2 Se2 O2\n1.0\n-2.086237 2.086237 10.625239\n2.086237 -2.086237 10.625239\n2.086237 2.086237 -10.625239\nBa Co Ag Se O\n2 1 2 2 2\ndirect\n0.587997 0.587997 0.000000 Ba\n0.412003 0.412003 0.000000 Ba\n0.000000 0.000000 0.000000 Co\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.836638 0.836638 0.000000 Se\n0.163362 0.163362 0.000000 Se\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Co",
"Ag",
"Se",
"O"
],
"chemical_system": "Ag-Ba-Co-O-Se",
"density": 6.636055001215707,
"density_atomic": 0.04865377288055844,
"volume": 184.98051573707062,
"volume_molar": 12.377541151400383,
"formula_full": "Ba2 Co1 Ag2 Se2 O2",
"formula_reduced": "Ba2CoAg2(SeO)2",
"formula_anonymous": "AB2C2D2E2",
"energy": -46.43732177,
"energy_per_atom": -5.159702418888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.48132177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9994289,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.035000Z",
"spacegroup": 139
},
{
"id": "mp-1227959",
"created_at": "2022-09-04T14:41:21.011242Z",
"structure_string": "Ba1 Ca3\n1.0\n13.173930 -2.009545 0.000000\n13.173930 2.009545 0.000000\n12.867396 0.000000 3.467109\nBa Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.245744 0.245744 0.245744 Ca\n0.500000 0.500000 0.500000 Ca\n0.754256 0.754256 0.754256 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca",
"density": 2.3297998969975833,
"density_atomic": 0.021789607785653177,
"volume": 183.5737494381932,
"volume_molar": 27.63767397394426,
"formula_full": "Ba1 Ca3",
"formula_reduced": "BaCa3",
"formula_anonymous": "AB3",
"energy": -7.78158857,
"energy_per_atom": -1.9453971425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.78158857,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.253000Z",
"spacegroup": 166
}
]
}