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=-updated_at&page=91",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=89",
"results": [
{
"id": "mp-757749",
"created_at": "2022-09-04T14:48:30.127333Z",
"structure_string": "Li16 Mn8 P16 O64\n1.0\n8.956027 0.000000 0.000000\n0.000000 9.083163 0.000000\n0.000000 0.000000 13.436482\nLi Mn P O\n16 8 16 64\ndirect\n0.784363 0.958657 0.372997 Li\n0.715637 0.958657 0.872997 Li\n0.045633 0.773659 0.373423 Li\n0.454367 0.773659 0.873423 Li\n0.954367 0.726341 0.873423 Li\n0.545633 0.726341 0.373423 Li\n0.284363 0.541343 0.372997 Li\n0.215637 0.541343 0.872997 Li\n0.784363 0.458657 0.127003 Li\n0.715637 0.458657 0.627003 Li\n0.454367 0.273659 0.626577 Li\n0.045633 0.273659 0.126577 Li\n0.954367 0.226341 0.626577 Li\n0.545633 0.226341 0.126577 Li\n0.215637 0.041343 0.627003 Li\n0.284363 0.041343 0.127003 Li\n0.895446 0.860347 0.123865 Mn\n0.604554 0.860347 0.623865 Mn\n0.104554 0.639653 0.623865 Mn\n0.395446 0.639653 0.123865 Mn\n0.895446 0.360347 0.376135 Mn\n0.604554 0.360347 0.876135 Mn\n0.395446 0.139653 0.376135 Mn\n0.104554 0.139653 0.876135 Mn\n0.934517 0.926513 0.719565 P\n0.565483 0.926513 0.219565 P\n0.186408 0.840082 0.989655 P\n0.313592 0.840082 0.489655 P\n0.813592 0.659918 0.489655 P\n0.686408 0.659918 0.989655 P\n0.434517 0.573487 0.719565 P\n0.065483 0.573487 0.219565 P\n0.565483 0.426513 0.280435 P\n0.934517 0.426513 0.780435 P\n0.313592 0.340082 0.010345 P\n0.186408 0.340082 0.510345 P\n0.813592 0.159918 0.010345 P\n0.686408 0.159918 0.510345 P\n0.434517 0.073487 0.780435 P\n0.065483 0.073487 0.280435 P\n0.298020 0.009670 0.474246 O\n0.201980 0.009670 0.974246 O\n0.999367 0.976245 0.358954 O\n0.500633 0.976245 0.858954 O\n0.531783 0.978890 0.330530 O\n0.968217 0.978890 0.830530 O\n0.741052 0.921628 0.220565 O\n0.758948 0.921628 0.720565 O\n0.276426 0.810455 0.087197 O\n0.223574 0.810455 0.587197 O\n0.020914 0.798302 0.013375 O\n0.479086 0.798302 0.513375 O\n0.996797 0.765286 0.718648 O\n0.503203 0.765286 0.218648 O\n0.264922 0.752823 0.400009 O\n0.235078 0.752823 0.900009 O\n0.764922 0.747177 0.400009 O\n0.735078 0.747177 0.900009 O\n0.003203 0.734714 0.218648 O\n0.496797 0.734714 0.718648 O\n0.979086 0.701698 0.513375 O\n0.520914 0.701698 0.013375 O\n0.776426 0.689545 0.087197 O\n0.723574 0.689545 0.587197 O\n0.258948 0.578372 0.720565 O\n0.241052 0.578372 0.220565 O\n0.468217 0.521110 0.830530 O\n0.031783 0.521110 0.330530 O\n0.499367 0.523755 0.358954 O\n0.000633 0.523755 0.858954 O\n0.798020 0.490330 0.474246 O\n0.701980 0.490330 0.974246 O\n0.298020 0.509670 0.025754 O\n0.201980 0.509670 0.525754 O\n0.500633 0.476245 0.641046 O\n0.999367 0.476245 0.141046 O\n0.531783 0.478890 0.169470 O\n0.968217 0.478890 0.669470 O\n0.758948 0.421628 0.779435 O\n0.741052 0.421628 0.279435 O\n0.276426 0.310455 0.412803 O\n0.223574 0.310455 0.912803 O\n0.479086 0.298302 0.986625 O\n0.020914 0.298302 0.486625 O\n0.996797 0.265286 0.781352 O\n0.503203 0.265286 0.281352 O\n0.264922 0.252823 0.099991 O\n0.235078 0.252823 0.599991 O\n0.764922 0.247177 0.099991 O\n0.735078 0.247177 0.599991 O\n0.496797 0.234714 0.781352 O\n0.003203 0.234714 0.281352 O\n0.979086 0.201698 0.986625 O\n0.520914 0.201698 0.486625 O\n0.776426 0.189545 0.412803 O\n0.723574 0.189545 0.912803 O\n0.258948 0.078372 0.779435 O\n0.241052 0.078372 0.279435 O\n0.468217 0.021110 0.669470 O\n0.031783 0.021110 0.169470 O\n0.000633 0.023755 0.641046 O\n0.499367 0.023755 0.141046 O\n0.798020 0.990330 0.025754 O\n0.701980 0.990330 0.525754 O\n",
"nsites": 104,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.1448707240622746,
"density_atomic": 0.09514703574881865,
"volume": 1093.0450873377972,
"volume_molar": 6.3292993970910665,
"formula_full": "Li16 Mn8 P16 O64",
"formula_reduced": "Li2Mn(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -766.78805394,
"energy_per_atom": -7.3729620571153855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -709.47605394,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.4859145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.234000Z",
"spacegroup": 61
},
{
"id": "mp-1291748",
"created_at": "2022-09-04T14:48:28.437370Z",
"structure_string": "Ca4 Mn8 O16\n1.0\n3.112464 5.446092 0.066595\n3.096074 -1.682149 10.109371\n6.356619 -0.078248 -0.065547\nCa Mn O\n4 8 16\ndirect\n0.012384 0.001664 0.977530 Ca\n0.522511 0.505969 0.961816 Ca\n0.938339 0.311135 0.118557 Ca\n0.434200 0.811990 0.133052 Ca\n0.934451 0.814195 0.634259 Mn\n0.187592 0.563058 0.630208 Mn\n0.431703 0.813488 0.633728 Mn\n0.352863 0.118277 0.278924 Mn\n0.854147 0.619168 0.287563 Mn\n0.438226 0.310129 0.615428 Mn\n0.683541 0.061934 0.621116 Mn\n0.950306 0.313302 0.610957 Mn\n0.543436 0.182167 0.849169 O\n0.053774 0.688742 0.900523 O\n0.346682 0.417796 0.385318 O\n0.799746 0.960787 0.396816 O\n0.560069 0.184805 0.418909 O\n0.057433 0.686526 0.436056 O\n0.779609 0.410035 0.433428 O\n0.274946 0.914871 0.441546 O\n0.006572 0.181536 0.431735 O\n0.504838 0.684467 0.445405 O\n0.884031 0.437931 0.799021 O\n0.379286 0.943540 0.812765 O\n0.106238 0.216290 0.799790 O\n0.599634 0.721987 0.810836 O\n0.314837 0.430062 0.813348 O\n0.798597 0.944152 0.822206 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.0078414449814925,
"density_atomic": 0.07896665706939171,
"volume": 354.5800346517782,
"volume_molar": 7.626181711995307,
"formula_full": "Ca4 Mn8 O16",
"formula_reduced": "CaMn2O4",
"formula_anonymous": "AB2C4",
"energy": -226.58214046,
"energy_per_atom": -8.092219302142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.24614046,
"band_gap": 0.6416999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.0008331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.211000Z",
"spacegroup": 1
},
{
"id": "mp-1190171",
"created_at": "2022-09-04T14:48:28.630528Z",
"structure_string": "C16\n1.0\n2.526018 0.000000 0.000000\n0.000000 4.159595 0.000000\n0.000000 0.000000 9.072088\nC\n16\ndirect\n0.750000 0.423520 0.695227 C\n0.750000 0.076480 0.195227 C\n0.250000 0.576480 0.304773 C\n0.250000 0.923520 0.804773 C\n0.250000 0.198409 0.689480 C\n0.250000 0.301591 0.189480 C\n0.750000 0.801591 0.310520 C\n0.750000 0.698409 0.810520 C\n0.250000 0.408205 0.020556 C\n0.250000 0.091795 0.520556 C\n0.750000 0.591795 0.979444 C\n0.750000 0.908205 0.479444 C\n0.250000 0.068374 0.963167 C\n0.250000 0.431626 0.463167 C\n0.750000 0.931626 0.036833 C\n0.750000 0.568374 0.536833 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3476701266416686,
"density_atomic": 0.16785150513833555,
"volume": 95.3223504717073,
"volume_molar": 3.5877788257167107,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -142.97592617,
"energy_per_atom": -8.935995385625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.97592617,
"band_gap": 4.3505,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.210000Z",
"spacegroup": 62
},
{
"id": "mp-1079823",
"created_at": "2022-09-04T14:48:28.946217Z",
"structure_string": "Hf3 As3 Os3\n1.0\n3.295873 -5.708620 0.000000\n3.295873 5.708620 0.000000\n0.000000 0.000000 3.982102\nHf As Os\n3 3 3\ndirect\n0.419648 0.419648 0.500000 Hf\n0.580352 0.000000 0.500000 Hf\n0.000000 0.580352 0.500000 Hf\n0.666667 0.333333 0.000000 As\n0.333333 0.666667 0.000000 As\n0.000000 0.000000 0.500000 As\n0.753263 0.753263 0.000000 Os\n0.246737 0.000000 0.000000 Os\n0.000000 0.246737 0.000000 Os\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Hf",
"As",
"Os"
],
"chemical_system": "As-Hf-Os",
"density": 14.748866205422527,
"density_atomic": 0.060061825832038125,
"volume": 149.84559452402175,
"volume_molar": 10.026569583217158,
"formula_full": "Hf3 As3 Os3",
"formula_reduced": "HfAsOs",
"formula_anonymous": "ABC",
"energy": -82.55781099,
"energy_per_atom": -9.173090109999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.55781099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:46.199000Z",
"spacegroup": 189
},
{
"id": "mp-1187584",
"created_at": "2022-09-04T14:48:25.572625Z",
"structure_string": "Tm2 Br2\n1.0\n1.814762 -3.143260 0.000000\n1.814762 3.143260 0.000000\n0.000000 0.000000 9.896988\nTm Br\n2 2\ndirect\n0.666667 0.333333 0.831338 Tm\n0.333333 0.666667 0.331338 Tm\n0.666667 0.333333 0.543662 Br\n0.333333 0.666667 0.043662 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Br"
],
"chemical_system": "Br-Tm",
"density": 7.319191996126452,
"density_atomic": 0.03542639570134427,
"volume": 112.91015980629999,
"volume_molar": 16.99902188969082,
"formula_full": "Tm2 Br2",
"formula_reduced": "TmBr",
"formula_anonymous": "AB",
"energy": -17.134539880000002,
"energy_per_atom": -4.2836349700000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.06653988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.181000Z",
"spacegroup": 186
},
{
"id": "mp-755398",
"created_at": "2022-09-04T14:48:30.506088Z",
"structure_string": "Li1 Co3 O4\n1.0\n3.034448 -4.197368 0.000000\n3.034448 4.197368 0.000000\n0.000000 0.000000 2.994222\nLi Co O\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.766576 0.766576 0.000000 O\n0.242512 0.757488 0.500000 O\n0.757488 0.242512 0.500000 O\n0.233424 0.233424 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 5.393507779772176,
"density_atomic": 0.10488641644377167,
"volume": 76.27298435053983,
"volume_molar": 5.741583099302851,
"formula_full": "Li1 Co3 O4",
"formula_reduced": "LiCo3O4",
"formula_anonymous": "AB3C4",
"energy": -54.29208017,
"energy_per_atom": -6.78651002125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.63008017,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.3557586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.171000Z",
"spacegroup": 65
},
{
"id": "mp-756963",
"created_at": "2022-09-04T14:48:27.365087Z",
"structure_string": "Li4 V3 O8\n1.0\n5.171870 -2.855500 0.000000\n5.171870 2.855500 0.000000\n3.595288 0.000000 4.687859\nLi V O\n4 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.746320 0.746320 0.746320 O\n0.726129 0.244301 0.244301 O\n0.244301 0.726129 0.244301 O\n0.253680 0.253680 0.253680 O\n0.244301 0.244301 0.726129 O\n0.273871 0.755699 0.755699 O\n0.755699 0.273871 0.755699 O\n0.755699 0.755699 0.273871 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.7007332213711295,
"density_atomic": 0.1083320492074283,
"volume": 138.46317973067065,
"volume_molar": 5.558965056101851,
"formula_full": "Li4 V3 O8",
"formula_reduced": "Li4V3O8",
"formula_anonymous": "A3B4C8",
"energy": -109.59784885,
"energy_per_atom": -7.306523256666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.00184885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.153000Z",
"spacegroup": 166
},
{
"id": "mp-755603",
"created_at": "2022-09-04T14:48:29.439191Z",
"structure_string": "K2 P2 W2 C2 O14\n1.0\n6.539530 0.000000 0.000000\n0.000000 5.341601 0.000000\n0.000000 0.431788 10.570475\nK P W C O\n2 2 2 2 14\ndirect\n0.606949 0.759855 0.790979 K\n0.106949 0.240145 0.209021 K\n0.725215 0.268145 0.564080 P\n0.225215 0.731855 0.435920 P\n0.223249 0.226541 0.651357 W\n0.723249 0.773459 0.348643 W\n0.262672 0.288685 0.887021 C\n0.762672 0.711315 0.112979 C\n0.790277 0.666645 0.001126 O\n0.245632 0.065120 0.837684 O\n0.250163 0.474103 0.791843 O\n0.911909 0.215125 0.652752 O\n0.538820 0.205329 0.651161 O\n0.229874 0.907061 0.547517 O\n0.717389 0.545464 0.519861 O\n0.217389 0.454536 0.480139 O\n0.729874 0.092939 0.452483 O\n0.038820 0.794671 0.348839 O\n0.411909 0.784875 0.347248 O\n0.750163 0.525897 0.208157 O\n0.745632 0.934880 0.162316 O\n0.290277 0.333355 0.998874 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"P",
"W",
"C",
"O"
],
"chemical_system": "C-K-O-P-W",
"density": 3.399106970882299,
"density_atomic": 0.05958133040426532,
"volume": 369.2431815591862,
"volume_molar": 10.107429154634799,
"formula_full": "K2 P2 W2 C2 O14",
"formula_reduced": "KPWCO7",
"formula_anonymous": "ABCDE7",
"energy": -176.4220837,
"energy_per_atom": -8.019185622727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.9280837,
"band_gap": 2.8067,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0003395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.129000Z",
"spacegroup": 4
},
{
"id": "mp-4920",
"created_at": "2022-09-04T14:48:26.505112Z",
"structure_string": "Nd1 Ge2 Rh2\n1.0\n-2.092645 2.092645 5.283820\n2.092645 -2.092645 5.283820\n2.092645 2.092645 -5.283820\nNd Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.624126 0.624126 0.000000 Ge\n0.375874 0.375874 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Rh"
],
"chemical_system": "Ge-Nd-Rh",
"density": 8.886837397926517,
"density_atomic": 0.05402202734326223,
"volume": 92.55483820015527,
"volume_molar": 11.147565273207203,
"formula_full": "Nd1 Ge2 Rh2",
"formula_reduced": "Nd(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -33.20304138,
"energy_per_atom": -6.640608276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.20304138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:46.104000Z",
"spacegroup": 139
},
{
"id": "mp-755454",
"created_at": "2022-09-04T14:48:29.042558Z",
"structure_string": "Li3 Nb1 V3 O8\n1.0\n5.306428 -2.967402 0.000000\n5.306428 2.967402 0.000000\n3.647030 0.000000 4.864445\nLi Nb V O\n3 1 3 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.258476 0.258476 0.258476 O\n0.251066 0.759810 0.759810 O\n0.759810 0.759810 0.251066 O\n0.741524 0.741524 0.741524 O\n0.759810 0.251066 0.759810 O\n0.748934 0.240190 0.240190 O\n0.240190 0.240190 0.748934 O\n0.240190 0.748934 0.240190 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.276694011286657,
"density_atomic": 0.09791501731160139,
"volume": 153.19406983572821,
"volume_molar": 6.150375014320169,
"formula_full": "Li3 Nb1 V3 O8",
"formula_reduced": "Li3NbV3O8",
"formula_anonymous": "AB3C3D8",
"energy": -120.02504945,
"energy_per_atom": -8.001669963333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.42904945,
"band_gap": 0.0171000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000043,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.099000Z",
"spacegroup": 166
},
{
"id": "mp-1213800",
"created_at": "2022-09-04T14:48:23.156192Z",
"structure_string": "Ce6 Zr2 Sb10\n1.0\n4.706104 -8.151211 0.000000\n4.706104 8.151211 0.000000\n0.000000 0.000000 6.327280\nCe Zr Sb\n6 2 10\ndirect\n0.617416 0.000000 0.250000 Ce\n0.382584 0.000000 0.750000 Ce\n0.000000 0.617416 0.250000 Ce\n0.000000 0.382584 0.750000 Ce\n0.382584 0.382584 0.250000 Ce\n0.617416 0.617416 0.750000 Ce\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.267401 0.000000 0.250000 Sb\n0.732599 0.000000 0.750000 Sb\n0.000000 0.267401 0.250000 Sb\n0.000000 0.732599 0.750000 Sb\n0.732599 0.732599 0.250000 Sb\n0.267401 0.267401 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"Zr",
"Sb"
],
"chemical_system": "Ce-Sb-Zr",
"density": 7.66497309280376,
"density_atomic": 0.037080177130618834,
"volume": 485.4345742900068,
"volume_molar": 16.24086297858388,
"formula_full": "Ce6 Zr2 Sb10",
"formula_reduced": "Ce3ZrSb5",
"formula_anonymous": "AB3C5",
"energy": -113.08422945,
"energy_per_atom": -6.2824571916666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.16422945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8021167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.081000Z",
"spacegroup": 193
},
{
"id": "mp-1211455",
"created_at": "2022-09-04T14:48:29.659517Z",
"structure_string": "K2 Gd2 Mo4 O16\n1.0\n5.260043 5.424421 0.000000\n-5.260043 5.424421 0.000000\n0.000000 5.175761 5.886931\nK Gd Mo O\n2 2 4 16\ndirect\n0.200196 0.799804 0.750000 K\n0.799804 0.200196 0.250000 K\n0.770622 0.229378 0.750000 Gd\n0.229378 0.770622 0.250000 Gd\n0.694254 0.697189 0.760753 Mo\n0.305746 0.302811 0.239247 Mo\n0.302811 0.305746 0.739247 Mo\n0.697189 0.694254 0.260753 Mo\n0.613706 0.767750 0.561885 O\n0.386294 0.232250 0.438115 O\n0.232250 0.386294 0.938115 O\n0.767750 0.613706 0.061885 O\n0.383413 0.069224 0.873226 O\n0.616587 0.930776 0.126774 O\n0.930776 0.616587 0.626774 O\n0.069224 0.383413 0.373226 O\n0.584172 0.367912 0.971964 O\n0.415828 0.632088 0.028036 O\n0.632088 0.415828 0.528036 O\n0.367912 0.584172 0.471964 O\n0.793724 0.951338 0.690650 O\n0.206276 0.048662 0.309350 O\n0.048662 0.206276 0.809350 O\n0.951338 0.793724 0.190650 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Gd",
"Mo",
"O"
],
"chemical_system": "Gd-K-Mo-O",
"density": 5.1033486552313665,
"density_atomic": 0.07144134420795806,
"volume": 335.9399275878487,
"volume_molar": 8.429489711825966,
"formula_full": "K2 Gd2 Mo4 O16",
"formula_reduced": "KGd(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy": -213.3371596,
"energy_per_atom": -8.889048316666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.5371596,
"band_gap": 3.1820000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9998905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.062000Z",
"spacegroup": 15
}
]
}