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=1746",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=1744",
"results": [
{
"id": "mp-1210516",
"created_at": "2022-09-04T14:40:27.598226Z",
"structure_string": "Na4 Ho2 Ta10 O30\n1.0\n12.584783 0.000000 0.000000\n0.000000 12.584783 0.000000\n0.000000 0.000000 3.921885\nNa Ho Ta O\n4 2 10 30\ndirect\n0.672141 0.172141 0.500000 Na\n0.327859 0.827859 0.500000 Na\n0.172141 0.327859 0.500000 Na\n0.827859 0.672141 0.500000 Na\n0.000000 0.000000 0.500000 Ho\n0.500000 0.500000 0.500000 Ho\n0.500000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.211288 0.078728 0.000000 Ta\n0.788712 0.921272 0.000000 Ta\n0.078728 0.788712 0.000000 Ta\n0.711288 0.421272 0.000000 Ta\n0.921272 0.211288 0.000000 Ta\n0.288712 0.578728 0.000000 Ta\n0.578728 0.711288 0.000000 Ta\n0.421272 0.288712 0.000000 Ta\n0.186910 0.079901 0.500000 O\n0.813090 0.920099 0.500000 O\n0.079901 0.813090 0.500000 O\n0.686910 0.420099 0.500000 O\n0.920099 0.186910 0.500000 O\n0.313090 0.579901 0.500000 O\n0.579901 0.686910 0.500000 O\n0.420099 0.313090 0.500000 O\n0.223776 0.723776 0.000000 O\n0.776224 0.276224 0.000000 O\n0.723776 0.776224 0.000000 O\n0.276224 0.223776 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.057167 0.130468 0.000000 O\n0.942833 0.869532 0.000000 O\n0.130468 0.942833 0.000000 O\n0.557167 0.369532 0.000000 O\n0.869532 0.057167 0.000000 O\n0.442833 0.630468 0.000000 O\n0.630468 0.557167 0.000000 O\n0.369532 0.442833 0.000000 O\n0.340873 0.998012 0.000000 O\n0.659127 0.001988 0.000000 O\n0.998012 0.659127 0.000000 O\n0.840873 0.501988 0.000000 O\n0.001988 0.340873 0.000000 O\n0.159127 0.498012 0.000000 O\n0.498012 0.840873 0.000000 O\n0.501988 0.159127 0.000000 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Na",
"Ho",
"Ta",
"O"
],
"chemical_system": "Ho-Na-O-Ta",
"density": 7.248317909287305,
"density_atomic": 0.07405792064934641,
"volume": 621.1354517743399,
"volume_molar": 8.13166330785058,
"formula_full": "Na4 Ho2 Ta10 O30",
"formula_reduced": "Na2HoTa5O15",
"formula_anonymous": "AB2C5D15",
"energy": -432.55512909999993,
"energy_per_atom": -9.40337237173913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -411.9451291,
"band_gap": 2.6236,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.71e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.644000Z",
"spacegroup": 127
},
{
"id": "mp-558345",
"created_at": "2022-09-04T14:40:27.615789Z",
"structure_string": "Zn2 Fe4 Se8 O24\n1.0\n8.188540 0.000000 0.000000\n0.000000 8.192550 0.000000\n0.000000 0.325896 8.330483\nZn Fe Se O\n2 4 8 24\ndirect\n0.601541 0.344497 0.163139 Zn\n0.398459 0.844497 0.163139 Zn\n0.760608 0.750422 0.000217 Fe\n0.739922 0.243894 0.508525 Fe\n0.239392 0.250422 0.000217 Fe\n0.260078 0.743894 0.508525 Fe\n0.095486 0.549768 0.191225 Se\n0.904514 0.049768 0.191225 Se\n0.571930 0.450696 0.820634 Se\n0.324519 0.167109 0.414562 Se\n0.057045 0.419240 0.680059 Se\n0.428070 0.950696 0.820634 Se\n0.675481 0.667109 0.414562 Se\n0.942955 0.919240 0.680059 Se\n0.963384 0.698341 0.119495 O\n0.309726 0.009392 0.987727 O\n0.161792 0.256981 0.776048 O\n0.666512 0.459595 0.366869 O\n0.751734 0.176832 0.269004 O\n0.192534 0.491014 0.019756 O\n0.218879 0.512610 0.578639 O\n0.626537 0.758312 0.226272 O\n0.719253 0.348448 0.721544 O\n0.333488 0.959595 0.366869 O\n0.972559 0.315674 0.521064 O\n0.482416 0.293724 0.938476 O\n0.838208 0.756981 0.776048 O\n0.502978 0.694151 0.522646 O\n0.280747 0.848448 0.721544 O\n0.248266 0.676832 0.269004 O\n0.373463 0.258312 0.226272 O\n0.036616 0.198341 0.119495 O\n0.027441 0.815674 0.521064 O\n0.517584 0.793724 0.938476 O\n0.690274 0.509391 0.987727 O\n0.781121 0.012610 0.578639 O\n0.497022 0.194151 0.522646 O\n0.807466 0.991014 0.019756 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Zn",
"Fe",
"Se",
"O"
],
"chemical_system": "Fe-O-Se-Zn",
"density": 4.07033978890752,
"density_atomic": 0.06799670040253826,
"volume": 558.850646796701,
"volume_molar": 8.856519102175726,
"formula_full": "Zn2 Fe4 Se8 O24",
"formula_reduced": "ZnFe2(SeO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -237.65189995000003,
"energy_per_atom": -6.2539973671052635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.13989995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.00035,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.008000Z",
"spacegroup": 7
},
{
"id": "mp-1226426",
"created_at": "2022-09-04T14:40:28.678568Z",
"structure_string": "Cu12 Mo3 S5 O36\n1.0\n0.000000 -6.827416 0.000000\n-7.485745 0.000000 -0.001278\n-0.002498 0.000000 -13.694456\nCu Mo S O\n12 3 5 36\ndirect\n0.000284 0.499790 0.000280 Cu\n0.496097 0.998614 0.493543 Cu\n0.499716 0.499790 0.000280 Cu\n0.003903 0.998614 0.493543 Cu\n0.250000 0.823203 0.061606 Cu\n0.250000 0.342933 0.444187 Cu\n0.750000 0.173077 0.946783 Cu\n0.750000 0.675025 0.552198 Cu\n0.250000 0.656257 0.841879 Cu\n0.250000 0.153700 0.658850 Cu\n0.750000 0.345539 0.159986 Cu\n0.750000 0.821595 0.338962 Cu\n0.750000 0.750997 0.813429 Mo\n0.750000 0.251544 0.686406 Mo\n0.250000 0.252059 0.188241 Mo\n0.250000 0.167992 0.898976 S\n0.250000 0.670165 0.597820 S\n0.750000 0.833562 0.100456 S\n0.750000 0.329383 0.400188 S\n0.250000 0.740888 0.316555 S\n0.250000 0.971978 0.906662 O\n0.250000 0.472859 0.584648 O\n0.750000 0.030414 0.091084 O\n0.750000 0.526267 0.409913 O\n0.250000 0.721751 0.701998 O\n0.250000 0.232195 0.796152 O\n0.750000 0.270428 0.297051 O\n0.750000 0.771909 0.202851 O\n0.969746 0.626929 0.848548 O\n0.530455 0.126812 0.652911 O\n0.469448 0.374164 0.151174 O\n0.072384 0.850368 0.345264 O\n0.030552 0.374164 0.151174 O\n0.427616 0.850368 0.345264 O\n0.530254 0.626929 0.848548 O\n0.969545 0.126812 0.652911 O\n0.250000 0.605688 0.985222 O\n0.250000 0.111344 0.516862 O\n0.750000 0.396176 0.018798 O\n0.750000 0.893101 0.472788 O\n0.750000 0.798938 0.687619 O\n0.750000 0.299840 0.812377 O\n0.250000 0.214347 0.315588 O\n0.250000 0.702509 0.211365 O\n0.750000 0.959530 0.875121 O\n0.750000 0.460457 0.624349 O\n0.250000 0.042376 0.127641 O\n0.250000 0.569667 0.370819 O\n0.073250 0.242539 0.950214 O\n0.427994 0.747220 0.549482 O\n0.572073 0.758977 0.050193 O\n0.927009 0.254737 0.450674 O\n0.927927 0.758977 0.050193 O\n0.572991 0.254737 0.450674 O\n0.426750 0.242539 0.950214 O\n0.072006 0.747220 0.549482 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Cu",
"Mo",
"S",
"O"
],
"chemical_system": "Cu-Mo-O-S",
"density": 4.238952883619658,
"density_atomic": 0.08001139844110947,
"volume": 699.9002778487555,
"volume_molar": 7.526603555657706,
"formula_full": "Cu12 Mo3 S5 O36",
"formula_reduced": "Cu12Mo3S5O36",
"formula_anonymous": "A3B5C12D36",
"energy": -360.847223,
"energy_per_atom": -6.4437004107142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -326.509223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.1134958,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.676000Z",
"spacegroup": 6
},
{
"id": "mp-828",
"created_at": "2022-09-04T14:40:28.682218Z",
"structure_string": "Si1 Ni3\n1.0\n3.504672 0.000000 0.000000\n0.000000 3.504672 0.000000\n0.000000 0.000000 3.504672\nSi Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Ni"
],
"chemical_system": "Ni-Si",
"density": 7.875710486012554,
"density_atomic": 0.09292185151211185,
"volume": 43.046925291610464,
"volume_molar": 6.480866084782057,
"formula_full": "Si1 Ni3",
"formula_reduced": "SiNi3",
"formula_anonymous": "AB3",
"energy": -24.52903198,
"energy_per_atom": -6.132257995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.60003198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0371094,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.473000Z",
"spacegroup": 221
},
{
"id": "mp-1045514",
"created_at": "2022-09-04T14:40:28.690717Z",
"structure_string": "Li2 Cr4 O8\n1.0\n-2.914931 2.982381 4.100589\n2.914931 -2.982381 4.100589\n2.914931 2.982381 -4.100589\nLi Cr O\n2 4 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.878863 0.128863 0.750000 Cr\n0.121137 0.871137 0.250000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.248949 0.263533 0.514584 O\n0.248949 0.734365 0.985416 O\n0.749401 0.744420 0.004981 O\n0.751051 0.736467 0.485416 O\n0.760561 0.255580 0.504981 O\n0.751051 0.265635 0.014584 O\n0.239439 0.744420 0.495019 O\n0.250599 0.255580 0.995019 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 4.074250606739585,
"density_atomic": 0.0981816664512261,
"volume": 142.59281295612158,
"volume_molar": 6.133671364186541,
"formula_full": "Li2 Cr4 O8",
"formula_reduced": "LiCr2O4",
"formula_anonymous": "AB2C4",
"energy": -112.36090111,
"energy_per_atom": -8.025778650714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.86890111,
"band_gap": 0.7686999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.075000Z",
"spacegroup": 74
},
{
"id": "mp-1175407",
"created_at": "2022-09-04T14:40:28.708130Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.897111 0.000000 0.000000\n1.461960 6.273421 0.000000\n1.923304 0.106376 7.633196\nLi Mn Co O\n9 2 5 16\ndirect\n0.942075 0.876569 0.371090 Li\n0.676488 0.366492 0.876864 Li\n0.430823 0.875030 0.364785 Li\n0.802202 0.632240 0.123409 Li\n0.569177 0.124970 0.635215 Li\n0.323512 0.633508 0.123136 Li\n0.197798 0.367760 0.876591 Li\n0.057925 0.123431 0.628910 Li\n0.500000 0.000000 0.000000 Li\n0.871295 0.753268 0.754884 Mn\n0.128705 0.246732 0.245116 Mn\n0.622051 0.251287 0.244281 Co\n0.377949 0.748713 0.755719 Co\n0.247894 0.500523 0.497959 Co\n0.000000 0.000000 0.000000 Co\n0.752106 0.499477 0.502041 Co\n0.151735 0.792540 0.566898 O\n0.919325 0.295129 0.081119 O\n0.666842 0.794221 0.583362 O\n0.013387 0.548083 0.318494 O\n0.784631 0.045635 0.808493 O\n0.520420 0.543652 0.320145 O\n0.386774 0.314980 0.073004 O\n0.267631 0.036578 0.817206 O\n0.732369 0.963422 0.182794 O\n0.479580 0.456348 0.679855 O\n0.215369 0.954365 0.191507 O\n0.613226 0.685020 0.926996 O\n0.333158 0.205779 0.416638 O\n0.080675 0.704871 0.918881 O\n0.986613 0.451917 0.681506 O\n0.848265 0.207460 0.433102 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.2514602692296375,
"density_atomic": 0.11331824202351762,
"volume": 282.3905439104751,
"volume_molar": 5.314361264755756,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.93704322,
"energy_per_atom": -6.529282600625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.41904322,
"band_gap": 0.6196000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9989048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.579000Z",
"spacegroup": 2
},
{
"id": "mp-1306361",
"created_at": "2022-09-04T14:40:28.717596Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.866073 0.185692 -0.375036\n-0.480567 5.839745 -0.776225\n-0.080787 -0.035178 10.583326\nLi Mn Co O\n6 2 2 10\ndirect\n0.600691 0.300330 0.199986 Li\n0.600909 0.799863 0.199947 Li\n0.010572 0.511595 0.019303 Li\n0.187321 0.087818 0.380741 Li\n0.401019 0.700827 0.803106 Li\n0.796651 0.899240 0.597291 Li\n0.195615 0.601230 0.389335 Mn\n0.013707 0.998879 0.010890 Mn\n0.791766 0.397318 0.598886 Co\n0.398255 0.202507 0.800844 Co\n0.507475 0.223878 0.998887 O\n0.703354 0.376269 0.401397 O\n0.096137 0.047182 0.184761 O\n0.107242 0.553244 0.215388 O\n0.869077 0.435445 0.798849 O\n0.266844 0.164523 0.601196 O\n0.314473 0.630083 0.589386 O\n0.930128 0.969774 0.809915 O\n0.701213 0.821556 0.399954 O\n0.507550 0.778437 0.999941 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.009503396939483,
"density_atomic": 0.11246753170931423,
"volume": 177.82910050602328,
"volume_molar": 5.354559372357298,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -131.76852911,
"energy_per_atom": -6.5884264555000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.28652911,
"band_gap": 0.3703000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9654514,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.936000Z",
"spacegroup": 1
},
{
"id": "mp-1016569",
"created_at": "2022-09-04T14:40:28.720732Z",
"structure_string": "Mg12 Nb2 Cd2\n1.0\n4.944352 0.000000 0.000000\n0.000000 6.296696 0.000000\n0.000000 0.000000 10.913465\nMg Nb Cd\n12 2 2\ndirect\n0.000000 0.251498 0.081874 Mg\n0.000000 0.748502 0.081874 Mg\n0.000000 0.000000 0.334459 Mg\n0.500000 0.740855 0.413599 Mg\n0.500000 0.259145 0.413599 Mg\n0.500000 0.000000 0.166940 Mg\n0.000000 0.751498 0.581874 Mg\n0.000000 0.248502 0.581874 Mg\n0.000000 0.500000 0.834459 Mg\n0.500000 0.240855 0.913599 Mg\n0.500000 0.759145 0.913599 Mg\n0.500000 0.500000 0.666940 Mg\n0.000000 0.500000 0.333741 Nb\n0.000000 0.000000 0.833741 Nb\n0.500000 0.500000 0.173914 Cd\n0.500000 0.000000 0.673914 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Cd"
],
"chemical_system": "Cd-Mg-Nb",
"density": 3.432288281264219,
"density_atomic": 0.04709070741935107,
"volume": 339.7697948666851,
"volume_molar": 12.788384566771894,
"formula_full": "Mg12 Nb2 Cd2",
"formula_reduced": "Mg6NbCd",
"formula_anonymous": "ABC6",
"energy": -39.26354184,
"energy_per_atom": -2.453971365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.26354184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.413000Z",
"spacegroup": 38
},
{
"id": "mp-1094500",
"created_at": "2022-09-04T14:40:28.728450Z",
"structure_string": "Mg2 Zn4\n1.0\n5.275875 -2.437053 0.000000\n5.275875 2.437053 0.000000\n4.150142 0.000000 4.068219\nMg Zn\n2 4\ndirect\n0.833129 0.833129 0.833129 Mg\n0.166871 0.166871 0.166871 Mg\n0.000000 0.661975 0.338025 Zn\n0.661975 0.338025 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.338025 0.000000 0.661975 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.924492692870656,
"density_atomic": 0.05735317427778023,
"volume": 104.61495942561143,
"volume_molar": 10.500100187712013,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.23549388,
"energy_per_atom": -1.3725823133333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.23549388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.934000Z",
"spacegroup": 155
},
{
"id": "mp-1391671",
"created_at": "2022-09-04T14:40:28.734994Z",
"structure_string": "La2 Mg1 Ni1 O6\n1.0\n4.670980 -2.763052 0.000000\n4.670980 2.763052 0.000000\n3.036536 0.000000 4.497995\nLa Mg Ni O\n2 1 1 6\ndirect\n0.751505 0.751505 0.751505 La\n0.248495 0.248495 0.248495 La\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ni\n0.764394 0.301088 0.178913 O\n0.178913 0.764394 0.301088 O\n0.301088 0.178913 0.764394 O\n0.235606 0.698912 0.821087 O\n0.698912 0.821087 0.235606 O\n0.821087 0.235606 0.698912 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Mg",
"Ni",
"O"
],
"chemical_system": "La-Mg-Ni-O",
"density": 6.5333303723335305,
"density_atomic": 0.08612990534526208,
"volume": 116.10369197450987,
"volume_molar": 6.991927758261808,
"formula_full": "La2 Mg1 Ni1 O6",
"formula_reduced": "La2MgNiO6",
"formula_anonymous": "ABC2D6",
"energy": -75.10339146999999,
"energy_per_atom": -7.510339146999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.44039147,
"band_gap": 1.3640999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.219000Z",
"spacegroup": 148
},
{
"id": "mp-1229032",
"created_at": "2022-09-04T14:40:28.735537Z",
"structure_string": "Ag1 Pt4\n1.0\n11.778689 -1.404997 0.000000\n11.778689 1.404997 0.000000\n11.611097 0.000000 2.427749\nAg Pt\n1 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.598770 0.598770 0.598770 Pt\n0.199509 0.199509 0.199509 Pt\n0.800491 0.800491 0.800491 Pt\n0.401230 0.401230 0.401230 Pt\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ag",
"Pt"
],
"chemical_system": "Ag-Pt",
"density": 18.35505915317008,
"density_atomic": 0.062224852076085524,
"volume": 80.35374666517878,
"volume_molar": 9.678031460221744,
"formula_full": "Ag1 Pt4",
"formula_reduced": "AgPt4",
"formula_anonymous": "AB4",
"energy": -27.30205203,
"energy_per_atom": -5.460410405999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.30205203,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0183367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.672000Z",
"spacegroup": 166
},
{
"id": "mp-766695",
"created_at": "2022-09-04T14:40:28.716845Z",
"structure_string": "Li12 Cr4 P4 C4 O28\n1.0\n6.489600 0.000000 0.000000\n0.000000 9.539717 0.000000\n0.000000 4.419761 8.948515\nLi Cr P C O\n12 4 4 4 28\ndirect\n0.249583 0.111456 0.307649 Li\n0.250417 0.111456 0.807649 Li\n0.020082 0.293562 0.486165 Li\n0.479918 0.293562 0.986165 Li\n0.757759 0.356701 0.684142 Li\n0.742241 0.356701 0.184142 Li\n0.242241 0.643299 0.315858 Li\n0.257759 0.643299 0.815858 Li\n0.979918 0.706438 0.513835 Li\n0.520082 0.706438 0.013835 Li\n0.750417 0.888544 0.692351 Li\n0.749583 0.888544 0.192351 Li\n0.517362 0.259304 0.495920 Cr\n0.982638 0.259304 0.995920 Cr\n0.482638 0.740696 0.504080 Cr\n0.017362 0.740696 0.004080 Cr\n0.253676 0.410758 0.682282 P\n0.246324 0.410758 0.182282 P\n0.746324 0.589242 0.317718 P\n0.753676 0.589242 0.817718 P\n0.736596 0.040507 0.376613 C\n0.763404 0.040507 0.876613 C\n0.263404 0.959493 0.623387 C\n0.236596 0.959493 0.123387 C\n0.750998 0.061816 0.741981 O\n0.749002 0.061816 0.241981 O\n0.277913 0.103183 0.512702 O\n0.741701 0.156504 0.411558 O\n0.222087 0.103183 0.012702 O\n0.758299 0.156504 0.911558 O\n0.064027 0.314706 0.678159 O\n0.442545 0.312740 0.673901 O\n0.057455 0.312740 0.173901 O\n0.435973 0.314706 0.178159 O\n0.749704 0.421894 0.450819 O\n0.235363 0.424965 0.330785 O\n0.750296 0.421894 0.950819 O\n0.264637 0.424965 0.830785 O\n0.764637 0.575035 0.669215 O\n0.250296 0.578106 0.549181 O\n0.735363 0.575035 0.169215 O\n0.249704 0.578106 0.049181 O\n0.935973 0.685294 0.321841 O\n0.557455 0.687260 0.326099 O\n0.942545 0.687260 0.826099 O\n0.564027 0.685294 0.821841 O\n0.258299 0.843496 0.588442 O\n0.722087 0.896817 0.487298 O\n0.241701 0.843496 0.088442 O\n0.777913 0.896817 0.987298 O\n0.249002 0.938184 0.258019 O\n0.250998 0.938184 0.758019 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Li",
"Cr",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-Li-O-P",
"density": 2.731223254135003,
"density_atomic": 0.09386397735298017,
"volume": 553.9931448296869,
"volume_molar": 6.4158167273835405,
"formula_full": "Li12 Cr4 P4 C4 O28",
"formula_reduced": "Li3CrPCO7",
"formula_anonymous": "ABCD3E7",
"energy": -382.38859924,
"energy_per_atom": -7.353626908461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.15659924,
"band_gap": 2.4109,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.998564,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.853000Z",
"spacegroup": 14
}
]
}