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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=66",
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"results": [
{
"id": "mp-756364",
"created_at": "2022-09-04T14:47:21.836830Z",
"structure_string": "Li6 Mn2 Ni4 O12\n1.0\n-0.000068 -1.508200 2.465242\n11.953964 -4.174045 -2.553931\n3.420512 4.095488 2.503846\nLi Mn Ni O\n6 2 4 12\ndirect\n0.000000 0.666697 0.166663 Li\n0.500000 0.166632 0.166678 Li\n0.999999 0.997902 0.494519 Li\n0.500000 0.497938 0.494572 Li\n0.000001 0.335411 0.838795 Li\n0.500001 0.835406 0.838790 Li\n0.499972 0.166701 0.666634 Mn\n0.000028 0.666651 0.666695 Mn\n0.999973 0.998108 0.004620 Ni\n0.000024 0.335197 0.328684 Ni\n0.499973 0.498116 0.004653 Ni\n0.500030 0.835223 0.328697 Ni\n0.000176 0.512446 0.755573 O\n0.500171 0.012479 0.755477 O\n0.999831 0.820847 0.577871 O\n0.499822 0.320906 0.577750 O\n0.000189 0.833251 0.095774 O\n0.500189 0.333285 0.095798 O\n0.999810 0.500057 0.237490 O\n0.499813 0.000073 0.237603 O\n0.999941 0.164571 0.446687 O\n0.499953 0.664527 0.446624 O\n0.000045 0.168825 0.886588 O\n0.500061 0.668754 0.886771 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.482934202286846,
"density_atomic": 0.11204176985083378,
"volume": 214.20582727274189,
"volume_molar": 5.37490684770291,
"formula_full": "Li6 Mn2 Ni4 O12",
"formula_reduced": "Li3Mn(NiO3)2",
"formula_anonymous": "AB2C3D6",
"energy": -154.69176767,
"energy_per_atom": -6.445490319583333,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -132.94776767,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.622000Z",
"spacegroup": 12
},
{
"id": "mp-1228260",
"created_at": "2022-09-04T14:47:15.688257Z",
"structure_string": "Ba6 Mn4 Co2 Cl1 O16\n1.0\n2.911160 -5.039909 0.000000\n2.911160 5.039909 0.000000\n0.000000 0.000000 14.935075\nBa Mn Co Cl O\n6 4 2 1 16\ndirect\n0.336592 0.663408 0.351364 Ba\n0.336592 0.663408 0.648636 Ba\n0.003520 0.996480 0.797192 Ba\n0.003520 0.996480 0.202808 Ba\n0.666177 0.333823 0.000000 Ba\n0.002989 0.997011 0.500000 Ba\n0.669958 0.330042 0.759071 Mn\n0.669958 0.330042 0.240929 Mn\n0.669879 0.330121 0.585399 Mn\n0.669879 0.330121 0.414601 Mn\n0.336695 0.663305 0.879342 Co\n0.336695 0.663305 0.120658 Co\n0.007047 0.992953 0.000000 Cl\n0.814983 0.621560 0.665472 O\n0.817506 0.182494 0.665681 O\n0.378440 0.185017 0.665472 O\n0.814983 0.621560 0.334528 O\n0.817506 0.182494 0.334319 O\n0.378440 0.185017 0.334528 O\n0.964420 0.475862 0.500000 O\n0.524138 0.035580 0.500000 O\n0.521072 0.478928 0.500000 O\n0.985890 0.486909 0.830023 O\n0.513091 0.014110 0.830023 O\n0.510757 0.489243 0.828032 O\n0.985890 0.486909 0.169977 O\n0.513091 0.014110 0.169977 O\n0.510757 0.489243 0.171968 O\n0.350464 0.649536 0.000000 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Co",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Co-Mn-O",
"density": 5.5054865049870685,
"density_atomic": 0.0661716286900852,
"volume": 438.25428773744545,
"volume_molar": 9.100789687684271,
"formula_full": "Ba6 Mn4 Co2 Cl1 O16",
"formula_reduced": "Ba6Mn4Co2ClO16",
"formula_anonymous": "AB2C4D6E16",
"energy": -212.41969927,
"energy_per_atom": -7.324817216206896,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.86569927,
"band_gap": 0.2665999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.9998595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.690000Z",
"spacegroup": 38
},
{
"id": "mp-1176246",
"created_at": "2022-09-04T14:47:09.310132Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.064212 0.000000 0.000000\n-1.641809 4.850497 0.000000\n-0.436031 -0.408705 11.717528\nLi Mn Co O\n9 2 5 16\ndirect\n0.995696 0.497683 0.129057 Li\n0.489884 0.492466 0.258915 Li\n0.007272 0.513604 0.384574 Li\n0.489854 0.493561 0.506691 Li\n0.007078 0.501403 0.615343 Li\n0.511468 0.507555 0.742359 Li\n0.996288 0.496062 0.869036 Li\n0.500669 0.500192 0.996531 Li\n0.008756 0.001417 0.498736 Li\n0.994320 0.997335 0.999628 Mn\n0.999570 0.999231 0.254123 Mn\n0.494240 0.995161 0.126243 Co\n0.513698 0.009717 0.386718 Co\n0.503474 0.003986 0.623713 Co\n0.001537 0.999579 0.740568 Co\n0.495581 0.995412 0.867476 Co\n0.247902 0.778409 0.008617 O\n0.763075 0.780494 0.118431 O\n0.241876 0.777559 0.254129 O\n0.764074 0.776609 0.358916 O\n0.282029 0.770022 0.505829 O\n0.749842 0.777044 0.631395 O\n0.255137 0.753463 0.760205 O\n0.762791 0.766676 0.881145 O\n0.742693 0.217682 0.239423 O\n0.235574 0.234790 0.364612 O\n0.740539 0.255849 0.491440 O\n0.262699 0.223459 0.632496 O\n0.737265 0.228000 0.748109 O\n0.224035 0.216376 0.884382 O\n0.750551 0.220703 0.994444 O\n0.230531 0.218500 0.126711 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.171134138840619,
"density_atomic": 0.11117723274486692,
"volume": 287.8287146563058,
"volume_molar": 5.416703232594215,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.1687275,
"energy_per_atom": -6.505272734375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.6507275,
"band_gap": 0.4469999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001439,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.571000Z",
"spacegroup": 1
},
{
"id": "mp-1095461",
"created_at": "2022-09-04T14:47:12.191766Z",
"structure_string": "Nd3 Co9\n1.0\n-2.542214 -4.403244 0.000000\n2.542214 -4.403244 0.000000\n0.000000 -2.935496 8.270090\nNd Co\n3 9\ndirect\n0.139411 0.139411 0.581767 Nd\n0.860589 0.860589 0.418233 Nd\n0.000000 0.000000 0.000000 Nd\n0.081850 0.578202 0.761746 Co\n0.578202 0.578202 0.761746 Co\n0.578202 0.081850 0.761746 Co\n0.918150 0.421798 0.238254 Co\n0.421798 0.421798 0.238254 Co\n0.421798 0.918150 0.238254 Co\n0.334082 0.334082 0.997754 Co\n0.665918 0.665918 0.002246 Co\n0.500000 0.500000 0.500000 Co\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nd",
"Co"
],
"chemical_system": "Co-Nd",
"density": 8.637867810023046,
"density_atomic": 0.06481210941717497,
"volume": 185.15058540619023,
"volume_molar": 9.291690725937327,
"formula_full": "Nd3 Co9",
"formula_reduced": "NdCo3",
"formula_anonymous": "AB3",
"energy": -78.77970579,
"energy_per_atom": -6.5649754824999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.77970579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0507019,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.601000Z",
"spacegroup": 166
},
{
"id": "mp-1207723",
"created_at": "2022-09-04T14:47:12.246301Z",
"structure_string": "Y1 Ga6 Co6\n1.0\n5.037987 0.000000 0.000000\n2.518993 -4.103504 4.316946\n2.518993 -4.103504 -4.316946\nY Ga Co\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.188772 0.811228 Ga\n0.500000 0.811228 0.188772 Ga\n0.341204 0.658796 0.658796 Ga\n0.658796 0.341204 0.341204 Ga\n0.000000 0.345870 0.654130 Ga\n0.000000 0.654130 0.345870 Ga\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.261440 0.238560 0.238560 Co\n0.738560 0.761440 0.761440 Co\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Y",
"density": 8.008562042849523,
"density_atomic": 0.0728324361636454,
"volume": 178.4919012016929,
"volume_molar": 8.268487335050828,
"formula_full": "Y1 Ga6 Co6",
"formula_reduced": "Y(GaCo)6",
"formula_anonymous": "AB6C6",
"energy": -71.59641953,
"energy_per_atom": -5.507416886923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -71.59641953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3722893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.789000Z",
"spacegroup": 71
},
{
"id": "mp-763878",
"created_at": "2022-09-04T14:47:21.848989Z",
"structure_string": "Li2 Mn4 O4 F6\n1.0\n2.024871 4.912412 0.000000\n-2.024871 4.912412 0.000000\n0.000000 0.118022 9.992927\nLi Mn O F\n2 4 4 6\ndirect\n0.863341 0.863341 0.060145 Li\n0.136659 0.136659 0.939855 Li\n0.859604 0.859604 0.442299 Mn\n0.815990 0.815990 0.749380 Mn\n0.184010 0.184010 0.250620 Mn\n0.140396 0.140396 0.557701 Mn\n0.952681 0.952681 0.614168 O\n0.310612 0.310612 0.424582 O\n0.689388 0.689388 0.575418 O\n0.047319 0.047319 0.385832 O\n0.953468 0.953468 0.881378 F\n0.312969 0.312969 0.093845 F\n0.763388 0.763388 0.260823 F\n0.236612 0.236612 0.739177 F\n0.687031 0.687031 0.906155 F\n0.046532 0.046532 0.118622 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.4382150067120825,
"density_atomic": 0.08048318008488928,
"volume": 198.79930170656863,
"volume_molar": 7.4824836116666535,
"formula_full": "Li2 Mn4 O4 F6",
"formula_reduced": "LiMn2O2F3",
"formula_anonymous": "AB2C2D3",
"energy": -112.00987691,
"energy_per_atom": -7.000617306875,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -99.81787691,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 16.0001802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.404000Z",
"spacegroup": 12
},
{
"id": "mp-1043320",
"created_at": "2022-09-04T14:47:15.720070Z",
"structure_string": "Cu3 Ni4 O12\n1.0\n-3.639677 3.639677 3.639677\n3.639677 -3.639677 3.639677\n3.639677 3.639677 -3.639677\nCu Ni O\n3 4 12\ndirect\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.319264 0.145149 0.825885 O\n0.680736 0.854851 0.174115 O\n0.680736 0.506621 0.825885 O\n0.493379 0.174115 0.319264 O\n0.174115 0.319264 0.493379 O\n0.825885 0.319264 0.145149 O\n0.854851 0.174115 0.680736 O\n0.825885 0.680736 0.506621 O\n0.319264 0.493379 0.174115 O\n0.506621 0.825885 0.680736 O\n0.174115 0.680736 0.854851 O\n0.145149 0.825885 0.319264 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
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"Ni",
"O"
],
"chemical_system": "Cu-Ni-O",
"density": 5.31582032732357,
"density_atomic": 0.09851561590173621,
"volume": 192.8628251073559,
"volume_molar": 6.112879369303996,
"formula_full": "Cu3 Ni4 O12",
"formula_reduced": "Cu3(NiO3)4",
"formula_anonymous": "A3B4C12",
"energy": -108.59185527,
"energy_per_atom": -5.71536080368421,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.8165501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.188000Z",
"spacegroup": 204
},
{
"id": "mp-1220133",
"created_at": "2022-09-04T14:47:15.835946Z",
"structure_string": "Nd1 Zr3 Mn8\n1.0\n-2.442712 -4.441999 0.003364\n-2.442712 4.441999 -0.003364\n0.000000 0.006412 -8.390554\nNd Zr Mn\n1 3 8\ndirect\n0.666615 0.333385 0.561201 Nd\n0.334708 0.665292 0.430014 Zr\n0.334635 0.665365 0.063690 Zr\n0.665062 0.334938 0.940511 Zr\n0.998127 0.001873 0.497483 Mn\n0.999174 0.000826 0.001661 Mn\n0.173543 0.336560 0.760901 Mn\n0.172015 0.827985 0.760049 Mn\n0.663440 0.826457 0.760901 Mn\n0.829642 0.666777 0.240548 Mn\n0.829816 0.170184 0.242495 Mn\n0.333223 0.170358 0.240548 Mn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Zr",
"Mn"
],
"chemical_system": "Mn-Nd-Zr",
"density": 7.819352159988165,
"density_atomic": 0.06590375234194677,
"volume": 182.0837141068548,
"volume_molar": 9.137781303792313,
"formula_full": "Nd1 Zr3 Mn8",
"formula_reduced": "NdZr3Mn8",
"formula_anonymous": "AB3C8",
"energy": -103.97460918,
"energy_per_atom": -8.664550765,
"energy_above_hull": null,
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"energy_uncorrected": -103.97460918,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.218000Z",
"spacegroup": 8
},
{
"id": "mp-1077691",
"created_at": "2022-09-04T14:47:12.382227Z",
"structure_string": "Sr4 Ca28 Mn24 Fe8 O80\n1.0\n-0.000198 0.008476 10.935962\n11.141621 0.007980 -0.000181\n-5.559743 15.355280 -5.456095\nSr Ca Mn Fe O\n4 28 24 8 80\ndirect\n0.308340 0.560723 0.609854 Sr\n0.057784 0.297894 0.610783 Sr\n0.559786 0.299122 0.611132 Sr\n0.447684 0.200381 0.889485 Sr\n0.304627 0.064186 0.107879 Ca\n0.302245 0.060205 0.603913 Ca\n0.305556 0.565633 0.108497 Ca\n0.806022 0.063818 0.107673 Ca\n0.806225 0.061418 0.606414 Ca\n0.806936 0.564581 0.108326 Ca\n0.807354 0.563124 0.605988 Ca\n0.199379 0.435492 0.391576 Ca\n0.197319 0.437451 0.895178 Ca\n0.198026 0.936003 0.391766 Ca\n0.198293 0.935810 0.893320 Ca\n0.698307 0.435692 0.392638 Ca\n0.699693 0.438266 0.895356 Ca\n0.699682 0.936580 0.392079 Ca\n0.700088 0.938209 0.893421 Ca\n0.056183 0.294115 0.108235 Ca\n0.055543 0.792874 0.107575 Ca\n0.055476 0.794837 0.606075 Ca\n0.556127 0.293731 0.108396 Ca\n0.556333 0.794279 0.108557 Ca\n0.556550 0.794699 0.606362 Ca\n0.448079 0.207204 0.391573 Ca\n0.449856 0.706239 0.392599 Ca\n0.449352 0.707057 0.894765 Ca\n0.948247 0.205879 0.391692 Ca\n0.950596 0.206014 0.892228 Ca\n0.948857 0.706071 0.392325 Ca\n0.947736 0.707237 0.892993 Ca\n0.005353 0.999346 0.499200 Mn\n0.003366 0.499697 0.497537 Mn\n0.505207 0.498849 0.497066 Mn\n0.256007 0.250968 0.001585 Mn\n0.253056 0.247737 0.496086 Mn\n0.254564 0.749500 0.498052 Mn\n0.754349 0.248385 0.498466 Mn\n0.755266 0.749871 0.499197 Mn\n0.109594 0.095663 0.249474 Mn\n0.107883 0.093071 0.751058 Mn\n0.110091 0.597690 0.250760 Mn\n0.107881 0.601781 0.751510 Mn\n0.609596 0.096425 0.250940 Mn\n0.613140 0.093720 0.748633 Mn\n0.609258 0.597625 0.251303 Mn\n0.616492 0.602709 0.752421 Mn\n0.359001 0.404289 0.248813 Mn\n0.362568 0.405759 0.752575 Mn\n0.359235 0.902157 0.250367 Mn\n0.357130 0.902059 0.747818 Mn\n0.859071 0.403579 0.249213 Mn\n0.863208 0.403883 0.751033 Mn\n0.861198 0.902857 0.251012 Mn\n0.859355 0.900376 0.748846 Mn\n0.006386 0.002400 0.001466 Fe\n0.005368 0.498108 0.999176 Fe\n0.505451 0.000732 0.001755 Fe\n0.504637 0.998366 0.498001 Fe\n0.505750 0.500590 0.001969 Fe\n0.255009 0.750615 0.000607 Fe\n0.756617 0.250397 0.001134 Fe\n0.756454 0.751037 0.001320 Fe\n0.122592 0.116350 0.484324 O\n0.124772 0.122499 0.987364 O\n0.122727 0.623093 0.486186 O\n0.123849 0.621019 0.989162 O\n0.622821 0.118197 0.484982 O\n0.627073 0.119008 0.992300 O\n0.623891 0.621542 0.487921 O\n0.624507 0.621751 0.989696 O\n0.139577 0.379660 0.015793 O\n0.131626 0.374110 0.503709 O\n0.135467 0.880763 0.012164 O\n0.134821 0.878918 0.509628 O\n0.636735 0.381929 0.014797 O\n0.636451 0.380726 0.508829 O\n0.634833 0.879055 0.012500 O\n0.636021 0.877648 0.510375 O\n0.371359 0.115917 0.487795 O\n0.370994 0.118217 0.990965 O\n0.374454 0.618749 0.486247 O\n0.373899 0.618198 0.989775 O\n0.871150 0.115246 0.485253 O\n0.874169 0.117141 0.986399 O\n0.871652 0.620573 0.487465 O\n0.873967 0.617822 0.988023 O\n0.384779 0.382876 0.015300 O\n0.382881 0.378102 0.505320 O\n0.385819 0.882353 0.012406 O\n0.384414 0.879893 0.509850 O\n0.886382 0.383172 0.012770 O\n0.878671 0.380196 0.507545 O\n0.886378 0.883765 0.013269 O\n0.885259 0.881270 0.511454 O\n0.082496 0.098746 0.133395 O\n0.079575 0.085780 0.629977 O\n0.082681 0.595590 0.136125 O\n0.073294 0.590499 0.633980 O\n0.580905 0.095946 0.137144 O\n0.583020 0.084763 0.632303 O\n0.580876 0.597012 0.137143 O\n0.577326 0.590167 0.632945 O\n0.448988 0.405624 0.366796 O\n0.448273 0.409745 0.866431 O\n0.445164 0.904668 0.365543 O\n0.443864 0.909349 0.863868 O\n0.941545 0.406859 0.363778 O\n0.954309 0.400746 0.867997 O\n0.944389 0.905563 0.367510 O\n0.947450 0.905052 0.863677 O\n0.327453 0.285283 0.130038 O\n0.322133 0.294778 0.633231 O\n0.329757 0.790760 0.135233 O\n0.326380 0.794366 0.631353 O\n0.832254 0.289362 0.135582 O\n0.821779 0.285075 0.629156 O\n0.832894 0.788993 0.135820 O\n0.827309 0.789271 0.631885 O\n0.197523 0.210537 0.366965 O\n0.194865 0.215392 0.871774 O\n0.194675 0.710023 0.366506 O\n0.195342 0.713501 0.866592 O\n0.694712 0.208967 0.366409 O\n0.691286 0.208059 0.863948 O\n0.695677 0.710555 0.367487 O\n0.700193 0.715663 0.866232 O\n0.427252 0.072515 0.250161 O\n0.428940 0.063843 0.741229 O\n0.429765 0.576584 0.250340 O\n0.436198 0.573887 0.757644 O\n0.925018 0.069832 0.250095 O\n0.919865 0.068054 0.749292 O\n0.925080 0.574070 0.250313 O\n0.928300 0.578107 0.749649 O\n0.173054 0.430907 0.250144 O\n0.186349 0.439085 0.758376 O\n0.178884 0.923539 0.249862 O\n0.179209 0.919607 0.750045 O\n0.677715 0.427218 0.250219 O\n0.683778 0.441189 0.759133 O\n0.674462 0.927750 0.250210 O\n0.675932 0.922292 0.749853 O\n",
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"updated_at": "2021-11-28T01:37:54.269000Z",
"spacegroup": 1
},
{
"id": "mp-1044567",
"created_at": "2022-09-04T14:47:15.689610Z",
"structure_string": "Ba1 Ca1 Ni4 O8\n1.0\n2.673264 -4.630229 0.000000\n2.673264 4.630229 0.000000\n0.000000 0.000000 7.888345\nBa Ca Ni O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.766387 Ni\n0.666667 0.333333 0.766387 Ni\n0.333333 0.666667 0.233613 Ni\n0.666667 0.333333 0.233613 Ni\n0.334856 0.334856 0.696354 O\n0.665144 0.000000 0.696354 O\n0.000000 0.665144 0.696354 O\n0.665144 0.665144 0.303646 O\n0.000000 0.334856 0.303646 O\n0.334856 0.000000 0.303646 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"formula_full": "Ba1 Ca1 Ni4 O8",
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{
"id": "mp-1216133",
"created_at": "2022-09-04T14:47:09.318098Z",
"structure_string": "Yb4 Zr1 Co33\n1.0\n4.154960 -7.196602 0.000000\n4.154960 7.196602 0.000000\n0.000000 0.000000 8.160472\nYb Zr Co\n4 1 33\ndirect\n0.000000 0.000000 0.238239 Yb\n0.666667 0.333333 0.750454 Yb\n0.333333 0.666667 0.751541 Yb\n0.333333 0.666667 0.248060 Yb\n0.000000 0.000000 0.611648 Zr\n0.171906 0.343812 0.475233 Co\n0.171906 0.828094 0.475233 Co\n0.656188 0.828094 0.475233 Co\n0.499793 0.999586 0.519103 Co\n0.499793 0.500207 0.519103 Co\n0.000414 0.500207 0.519103 Co\n0.500586 0.001172 0.984190 Co\n0.500586 0.499414 0.984190 Co\n0.998828 0.499414 0.984190 Co\n0.167205 0.334411 0.018273 Co\n0.167205 0.832795 0.018273 Co\n0.665589 0.832795 0.018273 Co\n0.827442 0.654885 0.498734 Co\n0.827442 0.172558 0.498734 Co\n0.345115 0.172558 0.498734 Co\n0.833036 0.666073 0.998906 Co\n0.833036 0.166964 0.998906 Co\n0.333927 0.166964 0.998906 Co\n0.005865 0.701713 0.751463 Co\n0.695847 0.994135 0.751463 Co\n0.298287 0.304153 0.751463 Co\n0.695847 0.701713 0.751463 Co\n0.298287 0.994135 0.751463 Co\n0.005865 0.304153 0.751463 Co\n0.662235 0.622657 0.250300 Co\n0.960422 0.337765 0.250300 Co\n0.377343 0.039578 0.250300 Co\n0.960422 0.622657 0.250300 Co\n0.377343 0.337765 0.250300 Co\n0.662235 0.039578 0.250300 Co\n0.666667 0.333333 0.389539 Co\n0.666667 0.333333 0.105868 Co\n0.000000 0.000000 0.910856 Co\n",
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{
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"structure_string": "Mn4 P4 O16\n1.0\n5.441145 0.000000 0.000000\n0.000000 8.472931 0.000000\n0.000000 2.142871 8.365941\nMn P O\n4 4 16\ndirect\n0.680761 0.637722 0.876509 Mn\n0.190403 0.111667 0.713504 Mn\n0.319239 0.637722 0.376509 Mn\n0.809597 0.111667 0.213504 Mn\n0.177573 0.763045 0.010048 P\n0.300666 0.252977 0.327631 P\n0.822427 0.763045 0.510048 P\n0.699334 0.252977 0.827631 P\n0.096946 0.711445 0.514667 O\n0.224559 0.927313 0.890189 O\n0.744617 0.134530 0.994492 O\n0.756611 0.428251 0.836182 O\n0.903054 0.711445 0.014667 O\n0.139546 0.196538 0.204286 O\n0.570428 0.249748 0.274664 O\n0.232260 0.787036 0.179975 O\n0.243389 0.428251 0.336182 O\n0.767740 0.787036 0.679975 O\n0.775441 0.927313 0.390189 O\n0.651210 0.633410 0.469540 O\n0.348790 0.633410 0.969540 O\n0.860454 0.196538 0.704286 O\n0.429572 0.249748 0.774664 O\n0.255383 0.134530 0.494492 O\n",
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]
}