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=formation_energy_per_atom&page=12187",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12185",
"results": [
{
"id": "mp-705034",
"created_at": "2022-09-04T14:41:23.667608Z",
"structure_string": "Cr8 Pb40 O64\n1.0\n11.987311 0.000000 0.000000\n0.000000 11.979808 0.000000\n0.000000 0.289997 15.146744\nCr Pb O\n8 40 64\ndirect\n0.391128 0.157872 0.573434 Cr\n0.108872 0.657872 0.573434 Cr\n0.608872 0.842128 0.426566 Cr\n0.097749 0.650326 0.070842 Cr\n0.402251 0.150326 0.070842 Cr\n0.597749 0.849674 0.929158 Cr\n0.891128 0.342128 0.426566 Cr\n0.902251 0.349674 0.929158 Cr\n0.586719 0.390361 0.189033 Pb\n0.053939 0.116478 0.062700 Pb\n0.760602 0.108302 0.809504 Pb\n0.413281 0.609639 0.810967 Pb\n0.581592 0.862484 0.190102 Pb\n0.739097 0.099014 0.062337 Pb\n0.918648 0.372599 0.674137 Pb\n0.239097 0.400986 0.937663 Pb\n0.918408 0.362484 0.190102 Pb\n0.069288 0.107892 0.560272 Pb\n0.446061 0.616478 0.062700 Pb\n0.569288 0.392108 0.439728 Pb\n0.912506 0.892842 0.689123 Pb\n0.946061 0.883522 0.937300 Pb\n0.086719 0.109639 0.810967 Pb\n0.587494 0.392842 0.689123 Pb\n0.913281 0.890361 0.189033 Pb\n0.754236 0.110846 0.293782 Pb\n0.744413 0.113112 0.575108 Pb\n0.739398 0.608302 0.809504 Pb\n0.418408 0.137516 0.809898 Pb\n0.581352 0.872599 0.674137 Pb\n0.430712 0.607892 0.560272 Pb\n0.245764 0.889154 0.706218 Pb\n0.255587 0.886888 0.424892 Pb\n0.081592 0.637516 0.809898 Pb\n0.260602 0.391698 0.190496 Pb\n0.254236 0.389154 0.706218 Pb\n0.930712 0.892108 0.439728 Pb\n0.087494 0.107158 0.310877 Pb\n0.239398 0.891698 0.190496 Pb\n0.760903 0.599014 0.062337 Pb\n0.412506 0.607158 0.310877 Pb\n0.081352 0.627401 0.325863 Pb\n0.745764 0.610846 0.293782 Pb\n0.244413 0.386888 0.424892 Pb\n0.553939 0.383522 0.937300 Pb\n0.260903 0.900986 0.937663 Pb\n0.418648 0.127401 0.325863 Pb\n0.755587 0.613112 0.575108 Pb\n0.400688 0.290840 0.071539 O\n0.203017 0.651919 0.655555 O\n0.399838 0.505670 0.945824 O\n0.995128 0.591005 0.606765 O\n0.055207 0.611541 0.970825 O\n0.275016 0.018779 0.818158 O\n0.421450 0.292298 0.554195 O\n0.599312 0.709160 0.928461 O\n0.274196 0.102028 0.090425 O\n0.081110 0.995776 0.184457 O\n0.674576 0.709810 0.689477 O\n0.677219 0.701282 0.171381 O\n0.322781 0.298718 0.828619 O\n0.911435 0.009919 0.314461 O\n0.487574 0.104971 0.151131 O\n0.825424 0.209810 0.689477 O\n0.775016 0.481221 0.181842 O\n0.163606 0.603708 0.481493 O\n0.272672 0.013672 0.307023 O\n0.418890 0.495776 0.184457 O\n0.012426 0.604971 0.151131 O\n0.495128 0.908995 0.393235 O\n0.078550 0.792298 0.554195 O\n0.444793 0.111541 0.970825 O\n0.336394 0.103708 0.481493 O\n0.512426 0.895029 0.848869 O\n0.404729 0.494245 0.439815 O\n0.411435 0.490081 0.685539 O\n0.918890 0.004224 0.815543 O\n0.663606 0.896292 0.518507 O\n0.796983 0.348081 0.344445 O\n0.900688 0.209160 0.928461 O\n0.224984 0.518779 0.818158 O\n0.174576 0.790190 0.310523 O\n0.099312 0.790840 0.071539 O\n0.836394 0.396292 0.518507 O\n0.724984 0.981221 0.181842 O\n0.703017 0.848081 0.344445 O\n0.774196 0.397972 0.909575 O\n0.822781 0.201282 0.171381 O\n0.921450 0.207702 0.445805 O\n0.727328 0.986328 0.692977 O\n0.004872 0.408995 0.393235 O\n0.595271 0.505755 0.560185 O\n0.088565 0.990081 0.685539 O\n0.504872 0.091005 0.606765 O\n0.987574 0.395029 0.848869 O\n0.325424 0.290190 0.310523 O\n0.725804 0.897972 0.909575 O\n0.177219 0.798718 0.828619 O\n0.296983 0.151919 0.655555 O\n0.581110 0.504224 0.815543 O\n0.588565 0.509919 0.314461 O\n0.095271 0.994245 0.439815 O\n0.225804 0.602028 0.090425 O\n0.578550 0.707702 0.445805 O\n0.555207 0.888459 0.029175 O\n0.600162 0.494330 0.054176 O\n0.899838 0.994330 0.054176 O\n0.100162 0.005670 0.945824 O\n0.772672 0.486328 0.692977 O\n0.944793 0.388459 0.029175 O\n0.904729 0.005755 0.560185 O\n0.227328 0.513672 0.307023 O\n",
"nsites": 112,
"nelements": 3,
"elements": [
"Cr",
"Pb",
"O"
],
"chemical_system": "Cr-O-Pb",
"density": 7.426405110584362,
"density_atomic": 0.05149049973058912,
"volume": 2175.158535768955,
"volume_molar": 11.695634712246557,
"formula_full": "Cr8 Pb40 O64",
"formula_reduced": "CrPb5O8",
"formula_anonymous": "AB5C8",
"energy": -721.33210433,
"energy_per_atom": -6.440465217232143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -661.37210433,
"band_gap": 1.8799,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.541000Z",
"spacegroup": 14
},
{
"id": "mp-1355411",
"created_at": "2022-09-04T14:41:23.619852Z",
"structure_string": "Li4 Mn12 O24\n1.0\n5.927040 0.000000 0.000000\n-0.171590 5.950503 0.000000\n-2.763911 -3.024214 12.483167\nLi Mn O\n4 12 24\ndirect\n0.614664 0.129824 0.245558 Li\n0.714864 0.532979 0.419593 Li\n0.374906 0.880045 0.751015 Li\n0.969090 0.787942 0.918994 Li\n0.493819 0.004421 0.000342 Mn\n0.493989 0.502895 0.996776 Mn\n0.838032 0.660356 0.163516 Mn\n0.337291 0.655812 0.167847 Mn\n0.161564 0.333995 0.330644 Mn\n0.161883 0.839419 0.328605 Mn\n0.494362 0.003929 0.501766 Mn\n0.995638 0.009755 0.497271 Mn\n0.843772 0.665751 0.668079 Mn\n0.845178 0.163851 0.671755 Mn\n0.168499 0.340418 0.834319 Mn\n0.666416 0.334942 0.834122 Mn\n0.740660 0.725957 0.010588 O\n0.287595 0.742284 0.011185 O\n0.575818 0.446705 0.154504 O\n0.589318 0.877686 0.161749 O\n0.083599 0.440100 0.175224 O\n0.097122 0.865341 0.171390 O\n0.396489 0.563684 0.320328 O\n0.941196 0.585781 0.321813 O\n0.368084 0.095106 0.326708 O\n0.924158 0.104312 0.344282 O\n0.230996 0.803792 0.486868 O\n0.236390 0.233452 0.484969 O\n0.757249 0.774303 0.511054 O\n0.757153 0.215505 0.514556 O\n0.056794 0.927746 0.655192 O\n0.633781 0.908617 0.673347 O\n0.636113 0.405591 0.679010 O\n0.060850 0.415686 0.676407 O\n0.931577 0.110502 0.825269 O\n0.929081 0.569000 0.822184 O\n0.408753 0.566946 0.843162 O\n0.400592 0.113222 0.840308 O\n0.254501 0.286058 0.985707 O\n0.697649 0.263925 0.988125 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.039473290463321,
"density_atomic": 0.09085392081818364,
"volume": 440.2671853870542,
"volume_molar": 6.62837740602464,
"formula_full": "Li4 Mn12 O24",
"formula_reduced": "LiMn3O6",
"formula_anonymous": "AB3C6",
"energy": -294.54810809,
"energy_per_atom": -7.36370270225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.04410809,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 40.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.554000Z",
"spacegroup": 1
},
{
"id": "mp-1221925",
"created_at": "2022-09-04T14:41:23.628458Z",
"structure_string": "Mn4 Cu4 As2 P2\n1.0\n0.000000 -3.602567 0.000000\n-6.139159 0.000000 0.000000\n0.000000 0.000000 -7.383574\nMn Cu As P\n4 4 2 2\ndirect\n0.750000 0.959669 0.144207 Mn\n0.750000 0.459669 0.355793 Mn\n0.250000 0.030480 0.831905 Mn\n0.250000 0.530480 0.668095 Mn\n0.750000 0.866693 0.573415 Cu\n0.750000 0.366693 0.926585 Cu\n0.250000 0.141343 0.454364 Cu\n0.250000 0.641343 0.045636 Cu\n0.250000 0.753312 0.359709 As\n0.250000 0.253312 0.140291 As\n0.750000 0.248504 0.635638 P\n0.750000 0.748504 0.864362 P\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mn",
"Cu",
"As",
"P"
],
"chemical_system": "As-Cu-Mn-P",
"density": 6.97288827551752,
"density_atomic": 0.07348414851769901,
"volume": 163.30052456292316,
"volume_molar": 8.195156209164674,
"formula_full": "Mn4 Cu4 As2 P2",
"formula_reduced": "Mn2Cu2AsP",
"formula_anonymous": "ABC2D2",
"energy": -74.01916671,
"energy_per_atom": -6.1682638925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.01916671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.8320731,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.636000Z",
"spacegroup": 26
},
{
"id": "mp-29308",
"created_at": "2022-09-04T14:41:23.638151Z",
"structure_string": "Na5 Co2 S5\n1.0\n-4.692549 4.692549 2.762624\n4.692549 -4.692549 2.762624\n4.692549 4.692549 -2.762624\nNa Co S\n5 2 5\ndirect\n0.153681 0.545512 0.000000 Na\n0.545512 0.153681 0.000000 Na\n0.153681 0.153681 0.608169 Na\n0.545512 0.545512 0.391831 Na\n0.931318 0.931318 0.000000 Na\n0.236376 0.736376 0.500000 Co\n0.736376 0.236376 0.500000 Co\n0.985618 0.666221 0.680602 S\n0.985618 0.305016 0.319398 S\n0.666221 0.985618 0.680602 S\n0.446069 0.446069 0.000000 S\n0.305016 0.985618 0.319398 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Co",
"S"
],
"chemical_system": "Co-Na-S",
"density": 2.6828549177307455,
"density_atomic": 0.04931531844238201,
"volume": 243.33210002527525,
"volume_molar": 12.211501314821726,
"formula_full": "Na5 Co2 S5",
"formula_reduced": "Na5Co2S5",
"formula_anonymous": "A2B5C5",
"energy": -52.91693157,
"energy_per_atom": -4.4097442975000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.40193157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3450986,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.785000Z",
"spacegroup": 107
},
{
"id": "mp-1028327",
"created_at": "2022-09-04T14:41:23.641069Z",
"structure_string": "La1 Mg14 V1\n1.0\n6.529844 0.095122 0.000000\n-3.182544 5.512328 0.000000\n0.000000 0.000000 10.402355\nLa Mg V\n1 14 1\ndirect\n0.163714 0.831857 0.125000 La\n0.165436 0.332718 0.625000 Mg\n0.166525 0.833262 0.625000 Mg\n0.661043 0.335880 0.125000 Mg\n0.665638 0.331866 0.625000 Mg\n0.661043 0.825161 0.125000 Mg\n0.665638 0.833771 0.625000 Mg\n0.335453 0.175135 0.379545 Mg\n0.335453 0.175135 0.870455 Mg\n0.335453 0.660320 0.379545 Mg\n0.335453 0.660320 0.870455 Mg\n0.839797 0.169899 0.367758 Mg\n0.839797 0.169899 0.882242 Mg\n0.829508 0.664755 0.383399 Mg\n0.829508 0.664755 0.866601 Mg\n0.170540 0.335270 0.125000 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"V"
],
"chemical_system": "La-Mg-V",
"density": 2.331384757952049,
"density_atomic": 0.04237533367915438,
"volume": 377.57814772962723,
"volume_molar": 14.21142970954931,
"formula_full": "La1 Mg14 V1",
"formula_reduced": "LaMg14V",
"formula_anonymous": "ABC14",
"energy": -34.96448755,
"energy_per_atom": -2.185280471875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.96448755,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2724643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.073000Z",
"spacegroup": 38
},
{
"id": "mp-1031884",
"created_at": "2022-09-04T14:41:24.493213Z",
"structure_string": "Mg6 Ti1 Ni1 O8\n1.0\n8.597658 0.000000 0.000000\n0.000000 4.252362 0.000000\n0.000000 0.000000 4.252362\nMg Ti Ni O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251189 0.000000 0.500000 Mg\n0.748811 0.000000 0.500000 Mg\n0.251189 0.500000 0.000000 Mg\n0.748811 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ni\n0.256833 0.000000 0.000000 O\n0.743167 0.000000 0.000000 O\n0.251534 0.500000 0.500000 O\n0.748466 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O-Ti",
"density": 4.062866408774611,
"density_atomic": 0.10291516150420726,
"volume": 155.46786077137824,
"volume_molar": 5.851558382633263,
"formula_full": "Mg6 Ti1 Ni1 O8",
"formula_reduced": "Mg6TiNiO8",
"formula_anonymous": "ABC6D8",
"energy": -106.24766368,
"energy_per_atom": -6.64047898,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.21066368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.242000Z",
"spacegroup": 123
},
{
"id": "mp-26947",
"created_at": "2022-09-04T14:41:24.522122Z",
"structure_string": "Li4 V2 P4 O16\n1.0\n-0.000240 4.836371 0.000184\n-0.023172 0.000372 10.035777\n5.852488 -0.000294 -0.045811\nLi V P O\n4 2 4 16\ndirect\n0.004375 0.013254 0.566111 Li\n0.495657 0.513244 0.566060 Li\n0.467434 0.219586 0.755384 Li\n0.032627 0.719635 0.755349 Li\n0.969250 0.275136 0.237901 V\n0.530945 0.775165 0.237877 V\n0.399678 0.097404 0.246872 P\n0.100362 0.597517 0.246845 P\n0.950744 0.403405 0.741819 P\n0.549288 0.903506 0.741906 P\n0.260848 0.392136 0.735201 O\n0.239216 0.892124 0.735213 O\n0.821024 0.321945 0.950611 O\n0.678916 0.822008 0.950733 O\n0.261831 0.664503 0.451078 O\n0.238134 0.164621 0.450876 O\n0.809490 0.329689 0.522852 O\n0.690439 0.829751 0.522850 O\n0.831838 0.543076 0.744047 O\n0.668290 0.043163 0.744121 O\n0.255144 0.174929 0.049373 O\n0.244801 0.674811 0.049103 O\n0.325726 0.947158 0.244233 O\n0.174020 0.447288 0.244233 O\n0.715234 0.117489 0.254657 O\n0.784688 0.617456 0.254694 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.97863749156906,
"density_atomic": 0.09153138969266757,
"volume": 284.0555582877031,
"volume_molar": 6.579317521803587,
"formula_full": "Li4 V2 P4 O16",
"formula_reduced": "Li2V(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -195.23566535,
"energy_per_atom": -7.509064051923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.84366535,
"band_gap": 1.5765999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9997533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.725000Z",
"spacegroup": 7
},
{
"id": "mp-1444353",
"created_at": "2022-09-04T14:41:24.527244Z",
"structure_string": "Mg4 W2 N4\n1.0\n2.234002 4.805652 0.000000\n-2.234002 4.805652 0.000000\n0.000000 2.066448 5.697125\nMg W N\n4 2 4\ndirect\n0.332618 0.332618 0.594388 Mg\n0.667382 0.667382 0.405612 Mg\n0.997361 0.997361 0.740342 Mg\n0.002639 0.002639 0.259658 Mg\n0.661353 0.661353 0.903961 W\n0.338647 0.338647 0.096039 W\n0.824694 0.824694 0.602774 N\n0.175306 0.175306 0.397226 N\n0.497255 0.497255 0.241831 N\n0.502745 0.502745 0.758169 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"W",
"N"
],
"chemical_system": "Mg-N-W",
"density": 7.071380044583423,
"density_atomic": 0.08174823412934956,
"volume": 122.3268013860346,
"volume_molar": 7.366692166672634,
"formula_full": "Mg4 W2 N4",
"formula_reduced": "Mg2WN2",
"formula_anonymous": "AB2C2",
"energy": -71.11141916,
"energy_per_atom": -7.111141915999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.66741916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.99e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.947000Z",
"spacegroup": 12
},
{
"id": "mp-13516",
"created_at": "2022-09-04T14:41:24.634420Z",
"structure_string": "Tm1 Al3 B4 O12\n1.0\n3.626377 -4.669940 0.000000\n3.626377 4.669940 0.000000\n-2.387433 0.000000 5.409169\nTm Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.445000 0.000000 0.555000 Al\n0.555000 0.445000 0.000000 Al\n0.000000 0.555000 0.445000 Al\n0.944187 0.055813 0.500000 B\n0.500000 0.944187 0.055813 B\n0.055813 0.500000 0.944187 B\n0.500000 0.500000 0.500000 B\n0.907622 0.500000 0.092378 O\n0.500000 0.092378 0.907622 O\n0.092378 0.907622 0.500000 O\n0.648692 0.500000 0.351308 O\n0.500000 0.351308 0.648692 O\n0.351308 0.648692 0.500000 O\n0.028714 0.631005 0.781758 O\n0.631005 0.781758 0.028714 O\n0.781758 0.028714 0.631005 O\n0.368995 0.971286 0.218242 O\n0.971286 0.218242 0.368995 O\n0.218242 0.368995 0.971286 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tm",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O-Tm",
"density": 4.396930112622729,
"density_atomic": 0.10916544696156137,
"volume": 183.20815383133336,
"volume_molar": 5.516526453760115,
"formula_full": "Tm1 Al3 B4 O12",
"formula_reduced": "TmAl3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -166.87302155,
"energy_per_atom": -8.3436510775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.62902155,
"band_gap": 5.6716,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006099,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.341000Z",
"spacegroup": 155
},
{
"id": "mp-763057",
"created_at": "2022-09-04T14:41:24.824520Z",
"structure_string": "Mn1 Co2 O6\n1.0\n1.440088 6.285097 0.000000\n-1.440088 6.285097 0.000000\n0.000000 1.401921 5.598638\nMn Co O\n1 2 6\ndirect\n0.500000 0.500000 0.000000 Mn\n0.168053 0.168053 0.664210 Co\n0.831947 0.831947 0.335790 Co\n0.658060 0.658060 0.883302 O\n0.986740 0.986740 0.227266 O\n0.321748 0.321748 0.554327 O\n0.013260 0.013260 0.772734 O\n0.341940 0.341940 0.116698 O\n0.678252 0.678252 0.445673 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 4.404192687977071,
"density_atomic": 0.08880330107342752,
"volume": 101.34758383090173,
"volume_molar": 6.781437950173225,
"formula_full": "Mn1 Co2 O6",
"formula_reduced": "Mn(CoO3)2",
"formula_anonymous": "AB2C6",
"energy": -64.76175932,
"energy_per_atom": -7.195751035555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.69575932,
"band_gap": 1.068,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.218000Z",
"spacegroup": 12
},
{
"id": "mp-1238896",
"created_at": "2022-09-04T14:41:23.670788Z",
"structure_string": "Ti4 Cr4 Ag4 S16\n1.0\n7.190169 0.000000 0.000000\n0.000000 7.307955 0.000000\n0.000000 0.000000 10.645412\nTi Cr Ag S\n4 4 4 16\ndirect\n0.750000 0.004042 0.246200 Ti\n0.250000 0.995958 0.753800 Ti\n0.250000 0.495958 0.746200 Ti\n0.750000 0.504042 0.253800 Ti\n0.250000 0.250573 0.109961 Cr\n0.750000 0.749427 0.890039 Cr\n0.750000 0.249427 0.609961 Cr\n0.250000 0.750573 0.390039 Cr\n0.250000 0.240959 0.387240 Ag\n0.750000 0.759041 0.612760 Ag\n0.750000 0.259041 0.887240 Ag\n0.250000 0.740959 0.112760 Ag\n0.016359 0.247422 0.728478 S\n0.983641 0.752578 0.271522 S\n0.983641 0.252578 0.228478 S\n0.016359 0.747422 0.771522 S\n0.483641 0.747422 0.771522 S\n0.516359 0.252578 0.228478 S\n0.516359 0.752578 0.271522 S\n0.483641 0.247422 0.728478 S\n0.250000 0.522131 0.521648 S\n0.750000 0.477869 0.478352 S\n0.750000 0.977869 0.021648 S\n0.250000 0.022131 0.978352 S\n0.750000 0.029843 0.473033 S\n0.250000 0.970157 0.526967 S\n0.250000 0.470157 0.973033 S\n0.750000 0.529843 0.026967 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Ti",
"density": 3.989694885025774,
"density_atomic": 0.05005651317985373,
"volume": 559.3677669756105,
"volume_molar": 12.03068367619288,
"formula_full": "Ti4 Cr4 Ag4 S16",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -173.18408056,
"energy_per_atom": -6.185145734285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.13608056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9977513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.580000Z",
"spacegroup": 62
},
{
"id": "mp-1225616",
"created_at": "2022-09-04T14:41:23.673893Z",
"structure_string": "Er1 Al1 Ni4\n1.0\n2.510319 -4.348001 0.000000\n2.510319 4.348001 0.000000\n0.000000 0.000000 3.846888\nEr Al Ni\n1 1 4\ndirect\n0.666667 0.333333 0.000000 Er\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.000000 Ni\n0.663007 0.831503 0.500000 Ni\n0.168497 0.831503 0.500000 Ni\n0.168497 0.336993 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Al",
"Ni"
],
"chemical_system": "Al-Er-Ni",
"density": 8.48325684345885,
"density_atomic": 0.07144850796606897,
"volume": 83.97656117394938,
"volume_molar": 8.428644532171235,
"formula_full": "Er1 Al1 Ni4",
"formula_reduced": "ErAlNi4",
"formula_anonymous": "ABC4",
"energy": -34.24110626,
"energy_per_atom": -5.706851043333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.24110626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057475,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.936000Z",
"spacegroup": 187
}
]
}