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=12150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=12148",
"results": [
{
"id": "mp-849592",
"created_at": "2022-09-04T14:43:18.119990Z",
"structure_string": "Mn12 O10 F14\n1.0\n4.676755 0.070768 0.025627\n0.078771 5.746153 -0.001371\n0.082548 -0.005815 15.673205\nMn O F\n12 10 14\ndirect\n0.014864 0.176336 0.419373 Mn\n0.019982 0.845019 0.243031 Mn\n0.034282 0.166783 0.081337 Mn\n0.004468 0.149755 0.740797 Mn\n0.024166 0.857125 0.576941 Mn\n0.020756 0.860594 0.911271 Mn\n0.484696 0.339320 0.588733 Mn\n0.503602 0.326890 0.928393 Mn\n0.510740 0.352303 0.252813 Mn\n0.489944 0.640813 0.085032 Mn\n0.496091 0.641264 0.422399 Mn\n0.497347 0.647234 0.752181 Mn\n0.212922 0.106779 0.633930 O\n0.220137 0.116605 0.972440 O\n0.235504 0.886937 0.134045 O\n0.224500 0.891026 0.470303 O\n0.227165 0.887347 0.798434 O\n0.288650 0.394310 0.148155 O\n0.282713 0.401045 0.483033 O\n0.724992 0.381841 0.030615 O\n0.722264 0.387825 0.362307 O\n0.705439 0.372842 0.694521 O\n0.234726 0.115822 0.304613 F\n0.259081 0.608942 0.309616 F\n0.252049 0.607628 0.646493 F\n0.267611 0.385045 0.817473 F\n0.254343 0.613175 0.972956 F\n0.737430 0.617907 0.197869 F\n0.751578 0.621373 0.534532 F\n0.728851 0.615099 0.863823 F\n0.782788 0.126996 0.189509 F\n0.748015 0.119881 0.523683 F\n0.757622 0.878852 0.357111 F\n0.751899 0.871616 0.021983 F\n0.767071 0.120078 0.848827 F\n0.761710 0.867593 0.681426 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.279502019645714,
"density_atomic": 0.08549201918414918,
"volume": 421.0919375112227,
"volume_molar": 7.044097001649187,
"formula_full": "Mn12 O10 F14",
"formula_reduced": "Mn6O5F7",
"formula_anonymous": "A5B6C7",
"energy": -272.40359718,
"energy_per_atom": -7.5667665883333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.04959718,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 50.0005661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.290000Z",
"spacegroup": 1
},
{
"id": "mp-541915",
"created_at": "2022-09-04T14:43:18.126532Z",
"structure_string": "K8 Ag4 As12 Se24\n1.0\n7.785880 0.000000 0.000000\n0.000000 12.933183 0.000000\n0.000000 10.977638 14.572464\nK Ag As Se\n8 4 12 24\ndirect\n0.889572 0.589617 0.757243 K\n0.389572 0.410383 0.742757 K\n0.110428 0.410383 0.242757 K\n0.610428 0.589617 0.257243 K\n0.371420 0.785611 0.386365 K\n0.871420 0.214389 0.113635 K\n0.628580 0.214389 0.613635 K\n0.128580 0.785611 0.886365 K\n0.992873 0.527627 0.572191 Ag\n0.492873 0.472373 0.927809 Ag\n0.007127 0.472373 0.427809 Ag\n0.507127 0.527627 0.072191 Ag\n0.088812 0.220279 0.655310 As\n0.588812 0.779721 0.844690 As\n0.911188 0.779721 0.344690 As\n0.411188 0.220279 0.155310 As\n0.944304 0.170864 0.864872 As\n0.444304 0.829136 0.635128 As\n0.055696 0.829136 0.135128 As\n0.555696 0.170864 0.364872 As\n0.327132 0.116937 0.005674 As\n0.827132 0.883063 0.494326 As\n0.672868 0.883063 0.994326 As\n0.172868 0.116937 0.505674 As\n0.242339 0.048728 0.661349 Se\n0.742339 0.951272 0.838651 Se\n0.757661 0.951272 0.338651 Se\n0.257661 0.048728 0.161349 Se\n0.732605 0.591959 0.442066 Se\n0.232605 0.408041 0.057934 Se\n0.267395 0.408041 0.557934 Se\n0.767395 0.591959 0.942066 Se\n0.203569 0.120104 0.810074 Se\n0.703569 0.879896 0.689926 Se\n0.796431 0.879896 0.189926 Se\n0.296431 0.120104 0.310074 Se\n0.816773 0.349699 0.727399 Se\n0.316773 0.650301 0.772601 Se\n0.183227 0.650301 0.272601 Se\n0.683227 0.349699 0.227399 Se\n0.096194 0.282328 0.918658 Se\n0.596194 0.717672 0.581342 Se\n0.903806 0.717672 0.081342 Se\n0.403806 0.282328 0.418658 Se\n0.074343 0.751729 0.539477 Se\n0.574343 0.248271 0.960523 Se\n0.925657 0.248271 0.460523 Se\n0.425657 0.751729 0.039477 Se\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"Ag",
"As",
"Se"
],
"chemical_system": "Ag-As-K-Se",
"density": 4.004098921533341,
"density_atomic": 0.032711097662605576,
"volume": 1467.391907636052,
"volume_molar": 18.410084620560884,
"formula_full": "K8 Ag4 As12 Se24",
"formula_reduced": "K2Ag(AsSe2)3",
"formula_anonymous": "AB2C3D6",
"energy": -193.56938292,
"energy_per_atom": -4.0326954775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.24138292,
"band_gap": 1.2346,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001533,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.618000Z",
"spacegroup": 14
},
{
"id": "mp-1191931",
"created_at": "2022-09-04T14:43:18.148305Z",
"structure_string": "Na3 Ca1 Mg3 Al1 F14\n1.0\n6.316733 -3.636530 0.000000\n6.316733 3.636530 0.000000\n4.223191 0.000000 5.940549\nNa Ca Mg Al F\n3 1 3 1 14\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n0.829146 0.421610 0.829146 F\n0.421610 0.829146 0.829146 F\n0.829146 0.829146 0.421610 F\n0.170854 0.578390 0.170854 F\n0.578390 0.170854 0.170854 F\n0.170854 0.170854 0.578390 F\n0.561896 0.202226 0.561896 F\n0.202226 0.561896 0.561896 F\n0.561896 0.561896 0.202226 F\n0.438104 0.797774 0.438104 F\n0.797774 0.438104 0.438104 F\n0.438104 0.438104 0.797774 F\n0.876195 0.876195 0.876195 F\n0.123805 0.123805 0.123805 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Mg",
"Al",
"F"
],
"chemical_system": "Al-Ca-F-Mg-Na",
"density": 2.8895794977882097,
"density_atomic": 0.08060953349075357,
"volume": 272.92057213708523,
"volume_molar": 7.47075500776937,
"formula_full": "Na3 Ca1 Mg3 Al1 F14",
"formula_reduced": "Na3CaMg3AlF14",
"formula_anonymous": "ABC3D3E14",
"energy": -122.51869039,
"energy_per_atom": -5.5690313813636365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.05069039,
"band_gap": 6.852500000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.408000Z",
"spacegroup": 166
},
{
"id": "mp-1045829",
"created_at": "2022-09-04T14:43:18.151224Z",
"structure_string": "Al1 Cu3 Ni4 O12\n1.0\n3.593273 5.042534 0.000000\n-3.593273 5.042534 0.000000\n0.000000 5.031932 5.103796\nAl Cu Ni O\n1 3 4 12\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.690380 0.690380 0.984424 O\n0.309620 0.309620 0.015576 O\n0.291561 0.291561 0.365760 O\n0.532546 0.135395 0.663352 O\n0.832892 0.163361 0.202110 O\n0.163361 0.832892 0.202110 O\n0.135395 0.532546 0.663352 O\n0.167108 0.836639 0.797890 O\n0.708439 0.708439 0.634240 O\n0.467454 0.864605 0.336648 O\n0.836639 0.167108 0.797890 O\n0.864605 0.467454 0.336648 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Al",
"Cu",
"Ni",
"O"
],
"chemical_system": "Al-Cu-Ni-O",
"density": 5.78539212687579,
"density_atomic": 0.10813533835817907,
"volume": 184.95341396864694,
"volume_molar": 5.569077464808712,
"formula_full": "Al1 Cu3 Ni4 O12",
"formula_reduced": "AlCu3(NiO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -118.60492242,
"energy_per_atom": -5.930246121,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.19692242000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.999568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.506000Z",
"spacegroup": 12
},
{
"id": "mp-1034711",
"created_at": "2022-09-04T14:43:18.154987Z",
"structure_string": "Hf1 Mg14 Ni1 O16\n1.0\n8.601227 0.000000 -0.000000\n0.000000 8.794795 0.000000\n0.000000 0.000000 4.261761\nHf Mg Ni O\n1 14 1 16\ndirect\n0.000000 0.500000 -0.000000 Hf\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.231847 0.500000 Mg\n0.000000 0.768153 0.500000 Mg\n0.500000 0.246682 0.500000 Mg\n0.500000 0.753318 0.500000 Mg\n0.248727 0.000000 0.500000 Mg\n0.258041 0.500000 0.500000 Mg\n0.751273 0.000000 0.500000 Mg\n0.741959 0.500000 0.500000 Mg\n0.252847 0.239110 0.000000 Mg\n0.252847 0.760890 -0.000000 Mg\n0.747153 0.239110 0.000000 Mg\n0.747153 0.760890 0.000000 Mg\n0.000000 0.000000 -0.000000 Ni\n0.261674 0.000000 -0.000000 O\n0.254551 0.500000 -0.000000 O\n0.738326 0.000000 -0.000000 O\n0.745449 0.500000 -0.000000 O\n0.248116 0.249477 0.500000 O\n0.248116 0.750523 0.500000 O\n0.751884 0.249477 0.500000 O\n0.751884 0.750523 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.267687 -0.000000 O\n-0.000000 0.732313 -0.000000 O\n0.500000 0.252265 -0.000000 O\n0.500000 0.747735 -0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Hf",
"Mg",
"Ni",
"O"
],
"chemical_system": "Hf-Mg-Ni-O",
"density": 4.292894311344293,
"density_atomic": 0.09926011114713247,
"volume": 322.38529284504483,
"volume_molar": 6.067030038958378,
"formula_full": "Hf1 Mg14 Ni1 O16",
"formula_reduced": "HfMg14NiO16",
"formula_anonymous": "ABC14D16",
"energy": -208.91619792,
"energy_per_atom": -6.528631185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.38319792,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.9640211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.202000Z",
"spacegroup": 47
},
{
"id": "mp-1110756",
"created_at": "2022-09-04T14:43:18.158450Z",
"structure_string": "K2 Rb1 Nd1 Cl6\n1.0\n0.000000 5.839013 5.839013\n5.839013 0.000000 5.839013\n5.839013 5.839013 0.000000\nK Rb Nd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.766480 0.233520 0.233520 Cl\n0.233520 0.233520 0.766480 Cl\n0.233520 0.766480 0.766480 Cl\n0.233520 0.766480 0.233520 Cl\n0.766480 0.233520 0.766480 Cl\n0.766480 0.766480 0.233520 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Nd",
"Cl"
],
"chemical_system": "Cl-K-Nd-Rb",
"density": 2.1713273038937704,
"density_atomic": 0.025116069597580105,
"volume": 398.15146876975865,
"volume_molar": 23.977241887322307,
"formula_full": "K2 Rb1 Nd1 Cl6",
"formula_reduced": "K2RbNdCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.79863370999999,
"energy_per_atom": -4.279863370999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.11463371,
"band_gap": 4.359500000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.927000Z",
"spacegroup": 225
},
{
"id": "mp-1411949",
"created_at": "2022-09-04T14:43:18.752674Z",
"structure_string": "V4 O5 F7\n1.0\n5.284900 0.000000 0.000000\n-2.637376 4.652359 0.000000\n-0.052856 -2.836595 8.592384\nV O F\n4 5 7\ndirect\n0.478764 0.734932 0.738766 V\n0.023900 0.530538 0.488379 V\n0.474128 0.263954 0.255585 V\n0.969755 0.011648 0.984298 V\n0.170225 0.362752 0.881829 O\n0.682729 0.842247 0.914075 O\n0.259694 0.406474 0.337321 O\n0.181162 0.864677 0.376749 O\n0.320939 0.658601 0.597193 O\n0.670267 0.322156 0.416157 F\n0.247550 0.916960 0.843155 F\n0.831316 0.129395 0.624467 F\n0.746203 0.576381 0.670106 F\n0.341007 0.161767 0.082326 F\n0.844590 0.634673 0.122859 F\n0.757771 0.082847 0.166735 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.275691045584842,
"density_atomic": 0.07573494443190941,
"volume": 211.26311136842557,
"volume_molar": 7.951601212851343,
"formula_full": "V4 O5 F7",
"formula_reduced": "V4O5F7",
"formula_anonymous": "A4B5C7",
"energy": -91.53049762,
"energy_per_atom": -5.72065610125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.06149762,
"band_gap": 0.1825,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0142483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.553000Z",
"spacegroup": 1
},
{
"id": "mp-27382",
"created_at": "2022-09-04T14:43:18.164667Z",
"structure_string": "U8 Tl8 F40\n1.0\n13.997324 0.000000 0.000000\n0.000000 8.318760 0.000000\n0.000000 1.859891 8.220913\nU Tl F\n8 8 40\ndirect\n0.255569 0.015400 0.902789 U\n0.755569 0.984600 0.597211 U\n0.744431 0.984600 0.097211 U\n0.244431 0.015400 0.402789 U\n0.246470 0.446785 0.539073 U\n0.746470 0.553215 0.960927 U\n0.753530 0.553215 0.460927 U\n0.253530 0.446785 0.039073 U\n0.519828 0.230038 0.779409 Tl\n0.019828 0.769962 0.720591 Tl\n0.480172 0.769962 0.220591 Tl\n0.980172 0.230038 0.279409 Tl\n0.985751 0.275233 0.801917 Tl\n0.485751 0.724767 0.698083 Tl\n0.014249 0.724767 0.198083 Tl\n0.514249 0.275233 0.301917 Tl\n0.898999 0.017211 0.066113 F\n0.398999 0.982789 0.433887 F\n0.101001 0.982789 0.933887 F\n0.601001 0.017211 0.566113 F\n0.896857 0.473982 0.421081 F\n0.396857 0.526018 0.078919 F\n0.103143 0.526018 0.578919 F\n0.603143 0.473982 0.921081 F\n0.596709 0.065741 0.113797 F\n0.096709 0.934259 0.386203 F\n0.403291 0.934259 0.886203 F\n0.903291 0.065741 0.613797 F\n0.311799 0.284528 0.308729 F\n0.811799 0.715472 0.191271 F\n0.688201 0.715472 0.691271 F\n0.188201 0.284528 0.808729 F\n0.801911 0.469305 0.731249 F\n0.301911 0.530695 0.768751 F\n0.198089 0.530695 0.268751 F\n0.698089 0.469305 0.231249 F\n0.709066 0.079004 0.824256 F\n0.209066 0.920996 0.675744 F\n0.290934 0.920996 0.175744 F\n0.790934 0.079004 0.324256 F\n0.738733 0.270094 0.529562 F\n0.238733 0.729906 0.970438 F\n0.261267 0.729906 0.470438 F\n0.761267 0.270094 0.029562 F\n0.347160 0.226100 0.980487 F\n0.847160 0.773900 0.519513 F\n0.652840 0.773900 0.019513 F\n0.152840 0.226100 0.480487 F\n0.397864 0.481151 0.489979 F\n0.897864 0.518849 0.010021 F\n0.602136 0.518849 0.510021 F\n0.102136 0.481151 0.989979 F\n0.317275 0.176293 0.644962 F\n0.817275 0.823707 0.855038 F\n0.682725 0.823707 0.355038 F\n0.182725 0.176293 0.144962 F\n",
"nsites": 56,
"nelements": 3,
"elements": [
"U",
"Tl",
"F"
],
"chemical_system": "F-Tl-U",
"density": 7.457899028447949,
"density_atomic": 0.05850114475484441,
"volume": 957.2462254315581,
"volume_molar": 10.29405627058488,
"formula_full": "U8 Tl8 F40",
"formula_reduced": "UTlF5",
"formula_anonymous": "ABC5",
"energy": -378.89836319,
"energy_per_atom": -6.766042199821428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.41836319,
"band_gap": 0.2663000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9961731,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.518000Z",
"spacegroup": 14
},
{
"id": "mp-1112511",
"created_at": "2022-09-04T14:43:18.679004Z",
"structure_string": "Cs2 Rb1 Ta1 F6\n1.0\n0.000000 4.807846 4.807846\n4.807846 0.000000 4.807846\n4.807846 4.807846 0.000000\nCs Rb Ta F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ta\n0.781516 0.218484 0.218484 F\n0.218484 0.218484 0.781516 F\n0.218484 0.781516 0.781516 F\n0.218484 0.781516 0.218484 F\n0.781516 0.218484 0.781516 F\n0.781516 0.781516 0.218484 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Ta",
"F"
],
"chemical_system": "Cs-F-Rb-Ta",
"density": 4.827761839642183,
"density_atomic": 0.04499024511759703,
"volume": 222.27040492581582,
"volume_molar": 13.385436652454603,
"formula_full": "Cs2 Rb1 Ta1 F6",
"formula_reduced": "Cs2RbTaF6",
"formula_anonymous": "ABC2D6",
"energy": -55.41619504,
"energy_per_atom": -5.541619504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.64419504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9689644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.312000Z",
"spacegroup": 225
},
{
"id": "mp-1213785",
"created_at": "2022-09-04T14:43:19.578711Z",
"structure_string": "Ce4 Si4 Rh4\n1.0\n6.319634 0.000000 0.000000\n0.000000 6.319634 0.000000\n0.000000 0.000000 6.319634\nCe Si Rh\n4 4 4\ndirect\n0.366775 0.366775 0.366775 Ce\n0.133225 0.633225 0.866775 Ce\n0.633225 0.866775 0.133225 Ce\n0.866775 0.133225 0.633225 Ce\n0.670269 0.670269 0.670269 Si\n0.829731 0.329731 0.170269 Si\n0.329731 0.170269 0.829731 Si\n0.170269 0.829731 0.329731 Si\n0.070199 0.070199 0.070199 Rh\n0.429801 0.929801 0.570199 Rh\n0.929801 0.570199 0.429801 Rh\n0.570199 0.429801 0.929801 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Rh"
],
"chemical_system": "Ce-Rh-Si",
"density": 7.134672442467921,
"density_atomic": 0.04754506715785607,
"volume": 252.39211378455673,
"volume_molar": 12.666173632704474,
"formula_full": "Ce4 Si4 Rh4",
"formula_reduced": "CeSiRh",
"formula_anonymous": "ABC",
"energy": -85.41239532,
"energy_per_atom": -7.11769961,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.41239532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0039038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.744000Z",
"spacegroup": 198
},
{
"id": "mp-1239255",
"created_at": "2022-09-04T14:43:19.579964Z",
"structure_string": "Nb2 Cr6 Cu4 S16\n1.0\n12.114390 0.000000 0.000000\n0.000000 5.775876 0.000000\n0.000000 5.651439 6.861864\nNb Cr Cu S\n2 6 4 16\ndirect\n0.500000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.750409 0.220874 0.770445 Cr\n0.249591 0.779126 0.229555 Cr\n0.749591 0.220874 0.270445 Cr\n0.250409 0.779126 0.729555 Cr\n0.915903 0.849074 0.260656 Cu\n0.084097 0.150926 0.739344 Cu\n0.584097 0.849074 0.760656 Cu\n0.415903 0.150926 0.239344 Cu\n0.829698 0.272035 0.003029 S\n0.170302 0.727965 0.996971 S\n0.671702 0.737372 0.021121 S\n0.328298 0.262628 0.978879 S\n0.329698 0.727965 0.496971 S\n0.670302 0.272035 0.503029 S\n0.171702 0.262628 0.478879 S\n0.828298 0.737372 0.521121 S\n0.912181 0.989219 0.760422 S\n0.087819 0.010781 0.239578 S\n0.587819 0.989219 0.260422 S\n0.412181 0.010781 0.739578 S\n0.911832 0.479649 0.246131 S\n0.088168 0.520351 0.753869 S\n0.588168 0.479649 0.746131 S\n0.411832 0.520351 0.253869 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Nb",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-Nb-S",
"density": 4.37504668487509,
"density_atomic": 0.058317179777123994,
"volume": 480.13295750943576,
"volume_molar": 10.326529477274718,
"formula_full": "Nb2 Cr6 Cu4 S16",
"formula_reduced": "NbCr3(CuS4)2",
"formula_anonymous": "AB2C3D8",
"energy": -185.58517086,
"energy_per_atom": -6.6280418164285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.53717086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.8827315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.358000Z",
"spacegroup": 14
},
{
"id": "mp-1101851",
"created_at": "2022-09-04T14:43:19.584132Z",
"structure_string": "Mg8 Si4\n1.0\n4.204203 0.000000 0.000000\n0.000000 7.009531 0.000000\n0.000000 0.000000 8.039507\nMg Si\n8 4\ndirect\n0.250000 0.031382 0.834485 Mg\n0.250000 0.531382 0.665515 Mg\n0.750000 0.968618 0.165515 Mg\n0.750000 0.468618 0.334485 Mg\n0.250000 0.140655 0.438640 Mg\n0.250000 0.640655 0.061360 Mg\n0.750000 0.859345 0.561360 Mg\n0.750000 0.359345 0.938640 Mg\n0.250000 0.253012 0.125802 Si\n0.250000 0.753012 0.374198 Si\n0.750000 0.746988 0.874198 Si\n0.750000 0.246988 0.625802 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.150190385712204,
"density_atomic": 0.05064996969065616,
"volume": 236.92018126150515,
"volume_molar": 11.889722337012488,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -35.36795261,
"energy_per_atom": -2.947329384166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.65195261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006703,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.496000Z",
"spacegroup": 62
}
]
}