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=-total_magnetization&page=12165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12163",
"results": [
{
"id": "mp-768381",
"created_at": "2022-09-04T14:47:04.358898Z",
"structure_string": "Co2 Te2 O8\n1.0\n-0.000242 1.611164 -2.638440\n3.380441 4.273588 2.610267\n6.995282 -4.538026 -2.770887\nCo Te O\n2 2 8\ndirect\n0.499999 0.249999 0.250000 Co\n0.499999 0.749998 0.750000 Co\n0.000000 0.999996 0.499997 Te\n0.000000 0.500001 0.000003 Te\n0.000053 0.468272 0.214993 O\n0.000053 0.968273 0.714995 O\n0.999945 0.031725 0.285007 O\n0.999945 0.531724 0.785004 O\n0.500057 0.219840 0.505476 O\n0.500057 0.719839 0.005477 O\n0.499943 0.280160 0.994524 O\n0.499943 0.780162 0.494523 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 5.077649157140572,
"density_atomic": 0.07323247738409906,
"volume": 163.86172404165526,
"volume_molar": 8.223319727959367,
"formula_full": "Co2 Te2 O8",
"formula_reduced": "CoTeO4",
"formula_anonymous": "ABC4",
"energy": -76.39576451,
"energy_per_atom": -6.3663137091666675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.62376451,
"band_gap": 0.7254,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.240000Z",
"spacegroup": 10
},
{
"id": "mp-1518359",
"created_at": "2022-09-04T14:47:06.911827Z",
"structure_string": "Sr2 Bi1 Sb1 O6\n1.0\n-0.000000 -4.278916 -4.278916\n4.278916 -0.000000 -4.278916\n4.278916 -4.278916 -0.000000\nSr Bi Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n0.733653 0.266347 0.266347 O\n0.266347 0.733653 0.733653 O\n0.733653 0.266347 0.733653 O\n0.266347 0.733653 0.266347 O\n0.733653 0.733653 0.266347 O\n0.266347 0.266347 0.733653 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-O-Sb-Sr",
"density": 6.37966057739809,
"density_atomic": 0.06382175195354875,
"volume": 156.68639129929053,
"volume_molar": 9.435875035807669,
"formula_full": "Sr2 Bi1 Sb1 O6",
"formula_reduced": "Sr2BiSbO6",
"formula_anonymous": "ABC2D6",
"energy": -64.88395183,
"energy_per_atom": -6.488395183,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.76195183,
"band_gap": 1.6981000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.061000Z",
"spacegroup": 225
},
{
"id": "mp-756409",
"created_at": "2022-09-04T14:47:04.338718Z",
"structure_string": "Li8 Ti12 Ni4 O32\n1.0\n-2.985882 5.171617 0.000147\n2.992753 -1.719626 9.754643\n8.971927 5.179862 0.005667\nLi Ti Ni O\n8 12 4 32\ndirect\n0.030207 0.060407 0.150973 Li\n0.280205 0.560404 0.400981 Li\n0.530208 0.060408 0.650979 Li\n0.780211 0.560417 0.900970 Li\n0.219795 0.439596 0.099019 Li\n0.469793 0.939594 0.349026 Li\n0.719789 0.439583 0.599031 Li\n0.969793 0.939592 0.849021 Li\n0.374997 0.249993 0.375006 Ti\n0.624993 0.750004 0.625010 Ti\n0.875004 0.249994 0.874991 Ti\n0.125006 0.750005 0.124994 Ti\n0.875002 0.249992 0.375006 Ti\n0.125011 0.750005 0.625010 Ti\n0.374990 0.249997 0.874988 Ti\n0.625000 0.750005 0.124995 Ti\n0.000005 0.000007 0.500006 Ti\n0.250000 0.500001 0.750000 Ti\n0.499997 0.999993 0.999994 Ti\n0.750000 0.500001 0.250000 Ti\n0.625007 0.250013 0.124978 Ni\n0.874994 0.749989 0.375024 Ni\n0.125006 0.250014 0.624986 Ni\n0.374993 0.749991 0.875015 Ni\n0.065167 0.130351 0.325905 O\n0.315170 0.630352 0.575903 O\n0.565165 0.130352 0.825896 O\n0.815166 0.630350 0.075897 O\n0.184833 0.369648 0.924095 O\n0.434833 0.869650 0.174096 O\n0.684833 0.369649 0.424103 O\n0.934831 0.869647 0.674105 O\n0.177617 0.355248 0.431583 O\n0.427622 0.855255 0.681569 O\n0.677616 0.355245 0.931570 O\n0.927621 0.855251 0.181563 O\n0.291757 0.126978 0.545720 O\n0.541779 0.626988 0.795705 O\n0.791754 0.126979 0.045709 O\n0.041772 0.626983 0.295699 O\n0.835213 0.126978 0.545718 O\n0.085199 0.626987 0.795705 O\n0.335216 0.126979 0.045709 O\n0.585201 0.626983 0.295698 O\n0.414801 0.373013 0.704295 O\n0.664786 0.873018 0.954282 O\n0.914798 0.373018 0.204301 O\n0.164783 0.873021 0.454293 O\n0.958222 0.373012 0.704292 O\n0.208239 0.873019 0.954281 O\n0.458227 0.373017 0.204301 O\n0.708246 0.873022 0.454293 O\n0.072382 0.144746 0.818429 O\n0.322381 0.644752 0.068419 O\n0.572381 0.144749 0.318436 O\n0.822384 0.644755 0.568429 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 3.7884436159203307,
"density_atomic": 0.09280358116123397,
"volume": 603.4249896316759,
"volume_molar": 6.489125402970522,
"formula_full": "Li8 Ti12 Ni4 O32",
"formula_reduced": "Li2Ti3NiO8",
"formula_anonymous": "AB2C3D8",
"energy": -456.28860477,
"energy_per_atom": -8.148010799464286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -424.14060477,
"band_gap": 1.4515999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.589000Z",
"spacegroup": 166
},
{
"id": "mp-1522593",
"created_at": "2022-09-04T14:47:07.605222Z",
"structure_string": "Ba1 Ca1 La1 Sb1 O6\n1.0\n0.000000 -4.332950 -4.332950\n4.332950 -0.000000 -4.332950\n4.332950 -4.332950 0.000000\nBa Ca La Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Sb\n0.731243 0.268757 0.268757 O\n0.268757 0.731243 0.731243 O\n0.731243 0.268757 0.731243 O\n0.268757 0.731243 0.268757 O\n0.731243 0.731243 0.268757 O\n0.268757 0.268757 0.731243 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"La",
"Sb",
"O"
],
"chemical_system": "Ba-Ca-La-O-Sb",
"density": 5.450843426302318,
"density_atomic": 0.061463738399008205,
"volume": 162.69755567229478,
"volume_molar": 9.797875815664957,
"formula_full": "Ba1 Ca1 La1 Sb1 O6",
"formula_reduced": "BaCaLaSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.74639695,
"energy_per_atom": -7.174639695000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.62439695,
"band_gap": 3.2198,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.913000Z",
"spacegroup": 216
},
{
"id": "mp-759485",
"created_at": "2022-09-04T14:47:05.074098Z",
"structure_string": "Li2 Sb2 P8 O24\n1.0\n9.057517 0.000000 0.000000\n0.000000 7.023803 0.000000\n0.000000 0.536401 7.507907\nLi Sb P O\n2 2 8 24\ndirect\n0.981535 0.795125 0.803598 Li\n0.481535 0.204875 0.196402 Li\n0.627178 0.748793 0.280682 Sb\n0.127178 0.251207 0.719318 Sb\n0.634625 0.996504 0.579149 P\n0.434787 0.892161 0.882965 P\n0.265868 0.614141 0.409311 P\n0.618842 0.551250 0.913379 P\n0.118842 0.448750 0.086621 P\n0.765868 0.385859 0.590689 P\n0.934787 0.107839 0.117035 P\n0.134625 0.003496 0.420851 P\n0.056397 0.982406 0.235239 O\n0.472706 0.923480 0.076095 O\n0.032327 0.974720 0.581540 O\n0.285348 0.947488 0.815912 O\n0.253536 0.840612 0.411013 O\n0.715093 0.808463 0.568326 O\n0.473626 0.676370 0.839401 O\n0.741609 0.686465 0.952269 O\n0.216553 0.529830 0.588349 O\n0.149959 0.566778 0.259859 O\n0.068828 0.585262 0.938932 O\n0.424475 0.583716 0.353110 O\n0.924475 0.416284 0.646890 O\n0.568828 0.414738 0.061068 O\n0.649959 0.433222 0.740141 O\n0.716553 0.470170 0.411651 O\n0.241609 0.313535 0.047731 O\n0.973626 0.323630 0.160599 O\n0.215093 0.191537 0.431674 O\n0.753536 0.159388 0.588987 O\n0.785348 0.052512 0.184088 O\n0.532327 0.025280 0.418460 O\n0.972706 0.076520 0.923905 O\n0.556397 0.017594 0.764761 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Sb",
"P",
"O"
],
"chemical_system": "Li-O-P-Sb",
"density": 3.0912725213326717,
"density_atomic": 0.07537062842240656,
"volume": 477.6396423052476,
"volume_molar": 7.990036551439589,
"formula_full": "Li2 Sb2 P8 O24",
"formula_reduced": "LiSb(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -262.59909830000004,
"energy_per_atom": -7.2944193972222235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.1110983,
"band_gap": 3.7777,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.374000Z",
"spacegroup": 4
},
{
"id": "mp-28554",
"created_at": "2022-09-04T14:47:04.455862Z",
"structure_string": "Ca2 As1 I1\n1.0\n7.619500 -2.202239 0.000000\n7.619500 2.202239 0.000000\n6.982994 0.000000 3.760909\nCa As I\n2 1 1\ndirect\n0.231053 0.231053 0.231053 Ca\n0.768947 0.768947 0.768947 Ca\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"As",
"I"
],
"chemical_system": "As-Ca-I",
"density": 3.709854253252261,
"density_atomic": 0.03169175191868117,
"volume": 126.21580562235,
"volume_molar": 19.00223368986478,
"formula_full": "Ca2 As1 I1",
"formula_reduced": "Ca2AsI",
"formula_anonymous": "ABC2",
"energy": -16.20362713,
"energy_per_atom": -4.0509067825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.82462713,
"band_gap": 1.5566,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.325000Z",
"spacegroup": 166
},
{
"id": "mp-779358",
"created_at": "2022-09-04T14:47:05.235521Z",
"structure_string": "Na24 V8 O32\n1.0\n9.221987 0.000000 0.000000\n0.000000 9.772068 0.000000\n0.000000 0.000000 10.704870\nNa V O\n24 8 32\ndirect\n0.038578 0.622689 0.598324 Na\n0.038578 0.122689 0.901676 Na\n0.115145 0.540391 0.140141 Na\n0.115145 0.040391 0.359859 Na\n0.221965 0.233525 0.623998 Na\n0.221965 0.733525 0.876002 Na\n0.278035 0.233525 0.123998 Na\n0.278035 0.733525 0.376002 Na\n0.384855 0.040391 0.859859 Na\n0.384855 0.540391 0.640141 Na\n0.461422 0.622689 0.098324 Na\n0.461422 0.122689 0.401676 Na\n0.538578 0.877311 0.598324 Na\n0.538578 0.377311 0.901676 Na\n0.615145 0.459609 0.359859 Na\n0.615145 0.959609 0.140141 Na\n0.721965 0.266475 0.623998 Na\n0.721965 0.766475 0.876002 Na\n0.778035 0.266475 0.123998 Na\n0.778035 0.766475 0.376002 Na\n0.884855 0.959609 0.640141 Na\n0.884855 0.459609 0.859859 Na\n0.961422 0.877311 0.098324 Na\n0.961422 0.377311 0.401676 Na\n0.208708 0.403685 0.880288 V\n0.208708 0.903685 0.619712 V\n0.291292 0.903685 0.119712 V\n0.291292 0.403685 0.380288 V\n0.708708 0.096315 0.880288 V\n0.708708 0.596315 0.619712 V\n0.791292 0.596315 0.119712 V\n0.791292 0.096315 0.380288 V\n0.086332 0.348662 0.994850 O\n0.086332 0.848662 0.505150 O\n0.119469 0.975408 0.746893 O\n0.119469 0.475408 0.753107 O\n0.176958 0.024656 0.054095 O\n0.176958 0.524656 0.445905 O\n0.188734 0.764574 0.170983 O\n0.188734 0.264574 0.329017 O\n0.311266 0.264574 0.829017 O\n0.311266 0.764574 0.670983 O\n0.323042 0.024656 0.554095 O\n0.323042 0.524656 0.945905 O\n0.380531 0.975408 0.246893 O\n0.380531 0.475408 0.253107 O\n0.413668 0.348662 0.494850 O\n0.413668 0.848662 0.005150 O\n0.586332 0.651338 0.505150 O\n0.586332 0.151338 0.994850 O\n0.619469 0.524592 0.746893 O\n0.619469 0.024592 0.753107 O\n0.676958 0.475344 0.054095 O\n0.676958 0.975344 0.445905 O\n0.688734 0.235426 0.329017 O\n0.688734 0.735426 0.170983 O\n0.811266 0.735426 0.670983 O\n0.811266 0.235426 0.829017 O\n0.823042 0.975344 0.945905 O\n0.823042 0.475344 0.554095 O\n0.880531 0.524592 0.246893 O\n0.880531 0.024592 0.253107 O\n0.913668 0.651338 0.005150 O\n0.913668 0.151338 0.494850 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.5324931851854116,
"density_atomic": 0.06634185187864211,
"volume": 964.7002335279092,
"volume_molar": 9.077438433609283,
"formula_full": "Na24 V8 O32",
"formula_reduced": "Na3VO4",
"formula_anonymous": "AB3C4",
"energy": -406.61181864,
"energy_per_atom": -6.35330966625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -371.02781864,
"band_gap": 4.0157,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.343000Z",
"spacegroup": 61
},
{
"id": "mp-583853",
"created_at": "2022-09-04T14:47:00.583536Z",
"structure_string": "Li4 Cr4 P4 O16\n1.0\n5.203059 -0.000027 0.108291\n-0.000044 9.710610 -0.000246\n0.075574 -0.000179 7.065575\nLi Cr P O\n4 4 4 16\ndirect\n0.202783 0.179640 0.525687 Li\n0.797208 0.820364 0.474336 Li\n0.702813 0.320370 0.025662 Li\n0.297220 0.679638 0.974312 Li\n0.258345 0.613014 0.477712 Cr\n0.241674 0.113012 0.022295 Cr\n0.758424 0.886986 0.977654 Cr\n0.741431 0.386988 0.522336 Cr\n0.190001 0.405601 0.232796 P\n0.310001 0.905602 0.267205 P\n0.690027 0.094395 0.732781 P\n0.809976 0.594392 0.767214 P\n0.330351 0.313170 0.085645 O\n0.830321 0.186832 0.585607 O\n0.169668 0.813171 0.414361 O\n0.669697 0.686851 0.914391 O\n0.741990 0.939813 0.691544 O\n0.758013 0.439803 0.808446 O\n0.241985 0.560172 0.191528 O\n0.258037 0.060170 0.308482 O\n0.793771 0.112597 0.941131 O\n0.206289 0.887417 0.058899 O\n0.293735 0.387409 0.441105 O\n0.706226 0.612586 0.558860 O\n0.101405 0.630085 0.755605 O\n0.398612 0.130091 0.744391 O\n0.601408 0.869919 0.255614 O\n0.898590 0.369911 0.244401 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.8642802339278286,
"density_atomic": 0.0784516261720036,
"volume": 356.90783437185314,
"volume_molar": 7.676247203335948,
"formula_full": "Li4 Cr4 P4 O16",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
"energy": -218.4209721,
"energy_per_atom": -7.800749003571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.4329721,
"band_gap": 2.3892999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.898000Z",
"spacegroup": 14
},
{
"id": "mp-1173952",
"created_at": "2022-09-04T14:47:06.467357Z",
"structure_string": "Li6 Mn4 O10\n1.0\n4.752172 0.000065 2.126621\n-0.082987 7.165150 2.617868\n-0.166189 -0.000018 5.235778\nLi Mn O\n6 4 10\ndirect\n0.500003 0.800002 0.099996 Li\n0.000002 0.799989 0.600005 Li\n0.500011 0.194669 0.902681 Li\n0.499991 0.405396 0.297283 Li\n0.500001 0.606052 0.696960 Li\n0.500001 0.993957 0.503033 Li\n0.000022 0.601591 0.199181 Mn\n0.999983 0.402081 0.798974 Mn\n0.999981 0.998373 0.000840 Mn\n0.999992 0.197875 0.401058 Mn\n0.235377 0.800022 0.880239 O\n0.764627 0.800015 0.319742 O\n0.235257 0.193859 0.678478 O\n0.235296 0.406122 0.072295 O\n0.764699 0.193870 0.127728 O\n0.764750 0.406133 0.521506 O\n0.212715 0.590131 0.445003 O\n0.212687 0.009848 0.235190 O\n0.787332 0.590148 0.964795 O\n0.787273 0.009866 0.755013 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8699996568833908,
"density_atomic": 0.11061279154709243,
"volume": 180.81091454495274,
"volume_molar": 5.444343891670184,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy": -140.56579825,
"energy_per_atom": -7.0282899125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.02379825,
"band_gap": 1.4069000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.236000Z",
"spacegroup": 12
},
{
"id": "mp-768208",
"created_at": "2022-09-04T14:47:06.226900Z",
"structure_string": "Li12 Sb4 S16\n1.0\n7.202517 0.000000 0.000000\n0.000000 9.249648 0.000000\n0.000000 0.000000 10.066112\nLi Sb S\n12 4 16\ndirect\n0.263945 0.048302 0.245215 Li\n0.263945 0.451698 0.245215 Li\n0.012133 0.750000 0.095785 Li\n0.487867 0.250000 0.595785 Li\n0.236055 0.548302 0.745215 Li\n0.236055 0.951698 0.745215 Li\n0.763945 0.048302 0.254785 Li\n0.763945 0.451698 0.254785 Li\n0.512133 0.750000 0.404215 Li\n0.987867 0.250000 0.904215 Li\n0.736055 0.548302 0.754785 Li\n0.736055 0.951698 0.754785 Li\n0.074566 0.750000 0.493544 Sb\n0.425434 0.250000 0.993544 Sb\n0.574566 0.750000 0.006456 Sb\n0.925434 0.250000 0.506456 Sb\n0.852258 0.750000 0.319343 S\n0.215309 0.052922 0.980223 S\n0.215309 0.447078 0.980223 S\n0.981696 0.750000 0.720208 S\n0.518304 0.250000 0.220208 S\n0.284691 0.552922 0.480223 S\n0.284691 0.947078 0.480223 S\n0.647742 0.250000 0.819343 S\n0.352258 0.750000 0.180657 S\n0.715309 0.052922 0.519777 S\n0.715309 0.447078 0.519777 S\n0.481696 0.750000 0.779792 S\n0.018304 0.250000 0.279792 S\n0.784691 0.947078 0.019777 S\n0.784691 0.552922 0.019777 S\n0.147742 0.250000 0.680657 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.6825970854637955,
"density_atomic": 0.047717614283142765,
"volume": 670.6119004634451,
"volume_molar": 12.620372687256173,
"formula_full": "Li12 Sb4 S16",
"formula_reduced": "Li3SbS4",
"formula_anonymous": "AB3C4",
"energy": -138.49017711,
"energy_per_atom": -4.3278180346875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.44217711,
"band_gap": 1.19,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.731000Z",
"spacegroup": 62
},
{
"id": "mp-1209229",
"created_at": "2022-09-04T14:47:08.433510Z",
"structure_string": "Rb2 Ho2 Be2 F12\n1.0\n5.876583 0.000000 0.000000\n0.000000 6.543845 0.000000\n0.000000 2.870750 6.596095\nRb Ho Be F\n2 2 2 12\ndirect\n0.250000 0.076379 0.790251 Rb\n0.750000 0.923621 0.209749 Rb\n0.250000 0.390290 0.181283 Ho\n0.750000 0.609710 0.818717 Ho\n0.250000 0.766014 0.466121 Be\n0.750000 0.233986 0.533879 Be\n0.465335 0.760754 0.596424 F\n0.534665 0.239246 0.403576 F\n0.965335 0.239246 0.403576 F\n0.034665 0.760754 0.596424 F\n0.250000 0.564969 0.401456 F\n0.750000 0.435031 0.598544 F\n0.499110 0.673098 0.032517 F\n0.500890 0.326902 0.967483 F\n0.999110 0.326902 0.967483 F\n0.000890 0.673098 0.032517 F\n0.250000 0.993205 0.268127 F\n0.750000 0.006795 0.731873 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Ho",
"Be",
"F"
],
"chemical_system": "Be-F-Ho-Rb",
"density": 4.888880988866763,
"density_atomic": 0.07096230679593075,
"volume": 253.65579013325123,
"volume_molar": 8.486393737619212,
"formula_full": "Rb2 Ho2 Be2 F12",
"formula_reduced": "RbHoBeF6",
"formula_anonymous": "ABCD6",
"energy": -111.69781407,
"energy_per_atom": -6.205434115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.15381406999998,
"band_gap": 7.4885,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.992000Z",
"spacegroup": 11
},
{
"id": "mp-6942",
"created_at": "2022-09-04T14:47:08.573190Z",
"structure_string": "Ho4 Cd2 S8\n1.0\n0.000000 5.631697 5.631697\n5.631697 0.000000 5.631697\n5.631697 5.631697 0.000000\nHo Cd S\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Ho\n0.125000 0.125000 0.125000 Ho\n0.125000 0.625000 0.125000 Ho\n0.125000 0.125000 0.625000 Ho\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.367295 0.367295 0.367295 S\n0.351886 0.882705 0.882705 S\n0.882705 0.882705 0.351886 S\n0.882705 0.351886 0.882705 S\n0.367295 0.367295 0.898114 S\n0.367295 0.898114 0.367295 S\n0.882705 0.882705 0.882705 S\n0.898114 0.367295 0.367295 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ho",
"Cd",
"S"
],
"chemical_system": "Cd-Ho-S",
"density": 5.304091285243218,
"density_atomic": 0.03919044530863128,
"volume": 357.22992912552206,
"volume_molar": 15.366349406276555,
"formula_full": "Ho4 Cd2 S8",
"formula_reduced": "Ho2CdS4",
"formula_anonymous": "AB2C4",
"energy": -80.63410836,
"energy_per_atom": -5.759579168571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.61010836,
"band_gap": 1.1172000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.196000Z",
"spacegroup": 227
}
]
}