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=12173",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12171",
"results": [
{
"id": "mp-1223601",
"created_at": "2022-09-04T14:48:09.001825Z",
"structure_string": "K1 Na1 Sr1 Mg5 Si8 O24\n1.0\n0.013683 -0.000177 -5.282957\n9.931969 0.001707 2.553522\n4.971303 -9.291200 -1.364993\nK Na Sr Mg Si O\n1 1 1 5 8 24\ndirect\n0.507841 0.488853 0.006053 K\n0.778974 0.278708 0.442803 Na\n0.215383 0.715304 0.569567 Sr\n0.600152 0.100310 0.798872 Mg\n0.401630 0.901671 0.196285 Mg\n0.184502 0.184505 0.630656 Mg\n0.821238 0.821054 0.357392 Mg\n0.999991 0.000214 0.998990 Mg\n0.119974 0.814755 0.833234 Si\n0.948665 0.643843 0.169476 Si\n0.882061 0.186381 0.169428 Si\n0.046808 0.351807 0.833032 Si\n0.705290 0.888849 0.658391 Si\n0.355737 0.544025 0.340956 Si\n0.303125 0.114464 0.341226 Si\n0.636284 0.452464 0.658072 Si\n0.693338 0.878400 0.512632 O\n0.197475 0.395570 0.490904 O\n0.312239 0.113509 0.490804 O\n0.794588 0.608668 0.512665 O\n0.785421 0.051849 0.656917 O\n0.437232 0.708643 0.342973 O\n0.220061 0.948047 0.343026 O\n0.557687 0.290868 0.656888 O\n0.187218 0.980739 0.822868 O\n0.009344 0.802429 0.177407 O\n0.813269 0.019914 0.177531 O\n0.989737 0.196218 0.822742 O\n0.897152 0.786609 0.742013 O\n0.633899 0.530284 0.256782 O\n0.109694 0.212617 0.256645 O\n0.360869 0.470934 0.742071 O\n0.385111 0.781148 0.769228 O\n0.156065 0.551515 0.227645 O\n0.616187 0.220729 0.227332 O\n0.844932 0.449178 0.769584 O\n0.558503 0.937110 0.998350 O\n0.443123 0.065202 0.998471 O\n0.978496 0.676469 0.000076 O\n0.020805 0.323444 0.000013 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"K",
"Na",
"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "K-Mg-Na-O-Si-Sr",
"density": 2.994847055073644,
"density_atomic": 0.08198811598703509,
"volume": 487.87558438744054,
"volume_molar": 7.345138606371064,
"formula_full": "K1 Na1 Sr1 Mg5 Si8 O24",
"formula_reduced": "KNaSrMg5(SiO3)8",
"formula_anonymous": "ABCD5E8F24",
"energy": -293.50113811,
"energy_per_atom": -7.33752845275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.34113811,
"band_gap": 3.3546,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.943000Z",
"spacegroup": 1
},
{
"id": "mp-1216838",
"created_at": "2022-09-04T14:48:09.003610Z",
"structure_string": "Ti2 Nb2 Bi2 O12\n1.0\n5.373339 0.000000 0.000000\n1.007270 6.923240 0.000000\n2.657959 2.536785 6.720466\nTi Nb Bi O\n2 2 2 12\ndirect\n0.286543 0.875232 0.480364 Ti\n0.801430 0.885263 0.963247 Ti\n0.710086 0.121883 0.523744 Nb\n0.206269 0.110116 0.038601 Nb\n0.740199 0.508027 0.747948 Bi\n0.276254 0.524047 0.243004 Bi\n0.156320 0.616887 0.557238 O\n0.845240 0.387545 0.433118 O\n0.014735 0.038880 0.326418 O\n0.985763 0.945585 0.682165 O\n0.293970 0.371624 0.019450 O\n0.695097 0.630781 0.985370 O\n0.557605 0.814304 0.591749 O\n0.436356 0.184469 0.406872 O\n0.473477 0.894583 0.190070 O\n0.525059 0.099628 0.808544 O\n0.925246 0.183084 0.930546 O\n0.070351 0.808062 0.071552 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Nb-O-Ti",
"density": 5.921307352988951,
"density_atomic": 0.07199784358521379,
"volume": 250.00748777560142,
"volume_molar": 8.364334902436951,
"formula_full": "Ti2 Nb2 Bi2 O12",
"formula_reduced": "TiNbBiO6",
"formula_anonymous": "ABCD6",
"energy": -154.37691108,
"energy_per_atom": -8.576495060000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.13291108,
"band_gap": 2.3865000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.487000Z",
"spacegroup": 1
},
{
"id": "mp-35269",
"created_at": "2022-09-04T14:48:09.004547Z",
"structure_string": "Ca8 Sb4 S2\n1.0\n-4.586400 4.586400 4.770171\n4.586400 -4.586400 4.770171\n4.586400 4.586400 -4.770171\nCa Sb S\n8 4 2\ndirect\n0.613508 0.875710 0.878265 Ca\n0.264757 0.386492 0.262202 Ca\n0.124290 0.002555 0.737798 Ca\n0.485243 0.247445 0.621735 Ca\n0.136492 0.514757 0.762202 Ca\n0.752555 0.374290 0.237798 Ca\n0.997445 0.735243 0.121735 Ca\n0.625710 0.863508 0.378265 Ca\n0.375000 0.997355 0.122355 Sb\n0.002645 0.125000 0.377645 Sb\n0.875000 0.252645 0.877645 Sb\n0.747355 0.625000 0.622355 Sb\n0.500000 0.500000 0.000000 S\n0.250000 0.750000 0.500000 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"S"
],
"chemical_system": "Ca-S-Sb",
"density": 3.6068258743170616,
"density_atomic": 0.03488110536116919,
"volume": 401.3634274212327,
"volume_molar": 17.264764684619337,
"formula_full": "Ca8 Sb4 S2",
"formula_reduced": "Ca4Sb2S",
"formula_anonymous": "AB2C4",
"energy": -60.37440796999999,
"energy_per_atom": -4.312457712142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.60040796999999,
"band_gap": 1.0818999999999992,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0021782,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.010000Z",
"spacegroup": 122
},
{
"id": "mp-6885",
"created_at": "2022-09-04T14:48:09.006488Z",
"structure_string": "Ba2 Ca1 Tl2 Cu2 O8\n1.0\n-1.944394 1.944394 15.202193\n1.944394 -1.944394 15.202193\n1.944394 1.944394 -15.202193\nBa Ca Tl Cu O\n2 1 2 2 8\ndirect\n0.117212 0.117212 0.000000 Ba\n0.882788 0.882788 0.000000 Ba\n0.000000 0.000000 0.000000 Ca\n0.287716 0.287716 0.000000 Tl\n0.712284 0.712284 0.000000 Tl\n0.550601 0.550601 0.000000 Cu\n0.449399 0.449399 0.000000 Cu\n0.780725 0.780725 0.000000 O\n0.447855 0.947855 0.500000 O\n0.052145 0.552145 0.500000 O\n0.645562 0.645562 0.000000 O\n0.552145 0.052145 0.500000 O\n0.947855 0.447855 0.500000 O\n0.354438 0.354438 0.000000 O\n0.219275 0.219275 0.000000 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Tl",
"Cu",
"O"
],
"chemical_system": "Ba-Ca-Cu-O-Tl",
"density": 7.0682716048134395,
"density_atomic": 0.06524638904755349,
"volume": 229.8977800758837,
"volume_molar": 9.229845280189966,
"formula_full": "Ba2 Ca1 Tl2 Cu2 O8",
"formula_reduced": "Ba2CaTl2(CuO4)2",
"formula_anonymous": "AB2C2D2E8",
"energy": -86.60196699,
"energy_per_atom": -5.773464465999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.10596699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018692,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.952000Z",
"spacegroup": 139
},
{
"id": "mp-20794",
"created_at": "2022-09-04T14:48:09.006990Z",
"structure_string": "Sr4 Ni2 W2 O12\n1.0\n-5.630229 0.000020 0.000503\n-2.814773 2.815004 -4.046253\n-2.814735 -8.445153 -4.046395\nSr Ni W O\n4 2 2 12\ndirect\n0.249876 0.375086 0.125077 Sr\n0.250023 0.874979 0.624967 Sr\n0.750105 0.624937 0.874886 Sr\n0.749926 0.125089 0.375049 Sr\n0.500108 0.749961 0.249842 Ni\n0.500110 0.249688 0.750192 Ni\n0.999976 0.500012 0.500052 W\n0.000005 0.999961 0.999972 W\n0.758762 0.362090 0.120554 O\n0.758784 0.862050 0.620575 O\n0.241189 0.637971 0.879450 O\n0.241222 0.137963 0.379369 O\n0.283251 0.599763 0.400135 O\n0.283087 0.099716 0.900184 O\n0.716838 0.400274 0.599896 O\n0.716717 0.900340 0.099810 O\n0.800548 0.641518 0.358327 O\n0.800503 0.141433 0.858414 O\n0.199535 0.358593 0.641620 O\n0.199434 0.858577 0.141631 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"W",
"O"
],
"chemical_system": "Ni-O-Sr-W",
"density": 6.651097676605074,
"density_atomic": 0.0779606867333706,
"volume": 256.5395565126432,
"volume_molar": 7.72458659913556,
"formula_full": "Sr4 Ni2 W2 O12",
"formula_reduced": "Sr2NiWO6",
"formula_anonymous": "ABC2D6",
"energy": -155.57197244,
"energy_per_atom": -7.778598622,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.36997244,
"band_gap": 3.2817,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.159000Z",
"spacegroup": 87
},
{
"id": "mp-1213006",
"created_at": "2022-09-04T14:48:09.022662Z",
"structure_string": "Er8 Os4 C8\n1.0\n5.076057 0.000000 0.000000\n0.000000 6.415182 0.000000\n0.000000 0.000000 9.742097\nEr Os C\n8 4 8\ndirect\n0.250000 0.684112 0.552917 Er\n0.750000 0.315888 0.447083 Er\n0.750000 0.815888 0.052917 Er\n0.250000 0.184112 0.947083 Er\n0.250000 0.525469 0.220388 Er\n0.750000 0.474531 0.779612 Er\n0.750000 0.974531 0.720388 Er\n0.250000 0.025469 0.279612 Er\n0.250000 0.726147 0.866016 Os\n0.750000 0.273853 0.133984 Os\n0.750000 0.773853 0.366016 Os\n0.250000 0.226147 0.633984 Os\n0.250000 0.462491 0.758411 C\n0.750000 0.537509 0.241589 C\n0.750000 0.037509 0.258411 C\n0.250000 0.962491 0.741589 C\n0.250000 0.825626 0.055409 C\n0.750000 0.174374 0.944591 C\n0.750000 0.674374 0.555409 C\n0.250000 0.325626 0.444591 C\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Os",
"C"
],
"chemical_system": "C-Er-Os",
"density": 11.489762557813027,
"density_atomic": 0.06304375521488563,
"volume": 317.2399856548787,
"volume_molar": 9.552319241570302,
"formula_full": "Er8 Os4 C8",
"formula_reduced": "Er2OsC2",
"formula_anonymous": "AB2C2",
"energy": -163.44317139,
"energy_per_atom": -8.1721585695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.44317139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.777000Z",
"spacegroup": 62
},
{
"id": "mp-1225692",
"created_at": "2022-09-04T14:48:09.209927Z",
"structure_string": "Cu4 Br1 Cl3\n1.0\n3.678452 0.000000 0.000000\n0.000000 3.678452 0.000000\n0.000000 0.000000 10.327283\nCu Br Cl\n4 1 3\ndirect\n0.000000 0.000000 0.747322 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.252678 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.746427 Cl\n0.000000 0.000000 0.500000 Cl\n0.500000 0.500000 0.253573 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Cu",
"density": 5.23391287322806,
"density_atomic": 0.05724976682152056,
"volume": 139.73856041965132,
"volume_molar": 10.519066005586312,
"formula_full": "Cu4 Br1 Cl3",
"formula_reduced": "Cu4BrCl3",
"formula_anonymous": "AB3C4",
"energy": -27.27027735,
"energy_per_atom": -3.40878466875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.89427735,
"band_gap": 0.1787,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.178000Z",
"spacegroup": 123
},
{
"id": "mp-1210944",
"created_at": "2022-09-04T14:48:08.977811Z",
"structure_string": "Mg2 Ti5 P6 O24\n1.0\n6.128748 -0.036295 -2.089569\n-2.358553 7.417153 -2.063225\n0.056786 0.039870 9.471899\nMg Ti P O\n2 5 6 24\ndirect\n0.283868 0.309511 0.789191 Mg\n0.716132 0.690489 0.210809 Mg\n0.049092 0.216177 0.023998 Ti\n0.950908 0.783823 0.976002 Ti\n0.599714 0.037529 0.383956 Ti\n0.400286 0.962471 0.616044 Ti\n0.000000 0.500000 0.500000 Ti\n0.226361 0.642251 0.269704 P\n0.773639 0.357749 0.730296 P\n0.077907 0.086998 0.332172 P\n0.922093 0.913002 0.667828 P\n0.607830 0.274919 0.132370 P\n0.392170 0.725081 0.867630 P\n0.384190 0.284788 0.009941 O\n0.615810 0.715212 0.990059 O\n0.205834 0.444088 0.203842 O\n0.794166 0.555912 0.796158 O\n0.544575 0.138311 0.210701 O\n0.455425 0.861689 0.789299 O\n0.735722 0.464504 0.266268 O\n0.264278 0.535496 0.733732 O\n0.056687 0.044006 0.156029 O\n0.943313 0.955994 0.843971 O\n0.755495 0.225765 0.039974 O\n0.244505 0.774235 0.960026 O\n0.295746 0.039846 0.417079 O\n0.704254 0.960154 0.582921 O\n0.545083 0.242682 0.726136 O\n0.454917 0.757318 0.273864 O\n0.096569 0.280997 0.413618 O\n0.903431 0.719003 0.586382 O\n0.132085 0.043503 0.666209 O\n0.867915 0.956497 0.333791 O\n0.019072 0.687014 0.165431 O\n0.980928 0.312986 0.834569 O\n0.229719 0.689544 0.442227 O\n0.770281 0.310456 0.557773 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"P",
"O"
],
"chemical_system": "Mg-O-P-Ti",
"density": 3.3021388105701566,
"density_atomic": 0.0857779164872075,
"volume": 431.34645273784423,
"volume_molar": 7.020619066794555,
"formula_full": "Mg2 Ti5 P6 O24",
"formula_reduced": "Mg2Ti5(PO4)6",
"formula_anonymous": "A2B5C6D24",
"energy": -303.14147118,
"energy_per_atom": -8.193012734594594,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.65347118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.858000Z",
"spacegroup": 2
},
{
"id": "mp-1265539",
"created_at": "2022-09-04T14:48:09.105701Z",
"structure_string": "Li8 Fe4 Si4 O16\n1.0\n6.350232 0.000000 0.569176\n0.000000 5.117107 0.000000\n-0.658303 0.000000 10.881715\nLi Fe Si O\n8 4 4 16\ndirect\n0.004627 0.200123 0.830441 Li\n0.004627 0.299877 0.330441 Li\n0.216095 0.301997 0.571194 Li\n0.216095 0.198003 0.071194 Li\n0.783905 0.801997 0.928806 Li\n0.783905 0.698003 0.428806 Li\n0.995373 0.700123 0.669559 Li\n0.995373 0.799877 0.169559 Li\n0.505758 0.206617 0.842882 Fe\n0.494242 0.706617 0.657118 Fe\n0.505758 0.293383 0.342882 Fe\n0.494242 0.793383 0.157118 Fe\n0.245902 0.698599 0.910284 Si\n0.245902 0.801401 0.410284 Si\n0.754098 0.198599 0.589716 Si\n0.754098 0.301401 0.089716 Si\n0.048661 0.813970 0.836647 O\n0.048661 0.686030 0.336647 O\n0.242170 0.374687 0.910864 O\n0.246318 0.692590 0.552886 O\n0.242170 0.125313 0.410864 O\n0.475860 0.789703 0.841878 O\n0.246318 0.807410 0.052886 O\n0.475860 0.710297 0.341878 O\n0.524140 0.289703 0.658122 O\n0.753682 0.192590 0.947114 O\n0.524140 0.210297 0.158122 O\n0.757830 0.874687 0.589136 O\n0.753682 0.307410 0.447114 O\n0.757830 0.625313 0.089136 O\n0.951339 0.313970 0.663353 O\n0.951339 0.186030 0.163353 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.023115593917808,
"density_atomic": 0.09000984559859002,
"volume": 355.51666361819946,
"volume_molar": 6.6905355963574005,
"formula_full": "Li8 Fe4 Si4 O16",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
"energy": -231.33493769,
"energy_per_atom": -7.2292168028125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.31893769,
"band_gap": 3.2021,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9998761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.690000Z",
"spacegroup": 14
},
{
"id": "mp-766045",
"created_at": "2022-09-04T14:48:09.107474Z",
"structure_string": "P2 W2 O10\n1.0\n5.386434 0.000000 0.000000\n-0.748231 5.356255 0.000000\n-2.238909 -2.515136 6.609259\nP W O\n2 2 10\ndirect\n0.331138 0.149628 0.752371 P\n0.668862 0.850372 0.247629 P\n0.000000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.146707 0.187503 0.878845 O\n0.286536 0.849762 0.636466 O\n0.926072 0.551587 0.741543 O\n0.269920 0.297617 0.599703 O\n0.730080 0.702383 0.400297 O\n0.626481 0.256216 0.893998 O\n0.373519 0.743784 0.106002 O\n0.073928 0.448413 0.258457 O\n0.713464 0.150238 0.363534 O\n0.853293 0.812497 0.121155 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"P",
"W",
"O"
],
"chemical_system": "O-P-W",
"density": 5.134605336610981,
"density_atomic": 0.07341971208758986,
"volume": 190.6844851597616,
"volume_molar": 8.202348645572968,
"formula_full": "P2 W2 O10",
"formula_reduced": "PWO5",
"formula_anonymous": "ABC5",
"energy": -120.49658424,
"energy_per_atom": -8.606898874285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.75058424,
"band_gap": 1.2491,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998907,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.372000Z",
"spacegroup": 2
},
{
"id": "mp-1340191",
"created_at": "2022-09-04T14:48:09.123911Z",
"structure_string": "Co2 Si4 O12\n1.0\n4.292188 4.745655 0.000000\n-4.292188 4.745655 0.000000\n0.000000 1.825239 5.013855\nCo Si O\n2 4 12\ndirect\n0.899572 0.100428 0.500000 Co\n0.093256 0.906744 0.000000 Co\n0.790339 0.618311 0.489140 Si\n0.213386 0.388156 0.002567 Si\n0.381689 0.209661 0.510860 Si\n0.611844 0.786614 0.997433 Si\n0.361767 0.350127 0.218326 O\n0.909565 0.378009 0.525694 O\n0.186192 0.031671 0.627912 O\n0.633146 0.643036 0.288131 O\n0.090435 0.625203 0.968459 O\n0.814754 0.958812 0.893608 O\n0.621991 0.090435 0.474306 O\n0.968329 0.813808 0.372088 O\n0.356964 0.366854 0.711869 O\n0.649873 0.638233 0.781674 O\n0.041188 0.185246 0.106392 O\n0.374797 0.909565 0.031541 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Si",
"O"
],
"chemical_system": "Co-O-Si",
"density": 3.4323525231513505,
"density_atomic": 0.08812433255127286,
"volume": 204.25686616720947,
"volume_molar": 6.833686662530095,
"formula_full": "Co2 Si4 O12",
"formula_reduced": "Co(SiO3)2",
"formula_anonymous": "AB2C6",
"energy": -137.37744078,
"energy_per_atom": -7.632080043333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.85744078,
"band_gap": 0.1536999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.986000Z",
"spacegroup": 5
},
{
"id": "mp-1521244",
"created_at": "2022-09-04T14:48:09.260956Z",
"structure_string": "Sm1 Eu1 Co4 O12\n1.0\n5.251786 0.000000 0.000000\n0.000000 5.251786 -0.000000\n0.000000 0.000000 7.504524\nSm Eu Co O\n1 1 4 12\ndirect\n0.000000 -0.000000 0.500000 Sm\n0.500000 0.500000 -0.000000 Eu\n0.000000 0.500000 0.752022 Co\n-0.000000 0.500000 0.247978 Co\n0.500000 -0.000000 0.247978 Co\n0.500000 -0.000000 0.752022 Co\n0.248359 0.248359 0.251777 O\n0.248359 0.248359 0.748223 O\n0.751641 0.751641 0.251777 O\n0.751641 0.751641 0.748223 O\n0.751641 0.248359 0.748223 O\n0.751641 0.248359 0.251777 O\n0.248359 0.751641 0.748223 O\n0.248359 0.751641 0.251777 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sm",
"Eu",
"Co",
"O"
],
"chemical_system": "Co-Eu-O-Sm",
"density": 5.856852135799388,
"density_atomic": 0.08696315991588253,
"volume": 206.98419902647265,
"volume_molar": 6.924933231295962,
"formula_full": "Sm1 Eu1 Co4 O12",
"formula_reduced": "SmEu(CoO3)4",
"formula_anonymous": "ABC4D12",
"energy": -129.01757146,
"energy_per_atom": -7.167642858888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.22157146,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0329273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.657000Z",
"spacegroup": 123
}
]
}