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=elements&page=10257",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10255",
"results": [
{
"id": "mp-14635",
"created_at": "2022-09-04T14:39:46.370142Z",
"structure_string": "Rb4 V2 Ag2 Se8\n1.0\n0.000000 7.075793 12.268814\n3.025750 0.000000 12.268814\n3.025750 7.075793 0.000000\nRb V Ag Se\n4 2 2 8\ndirect\n0.680914 0.680914 0.319086 Rb\n0.319086 0.319086 0.680914 Rb\n0.930914 0.930914 0.569086 Rb\n0.569086 0.569086 0.930914 Rb\n0.750000 0.750000 0.750000 V\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Ag\n0.553363 0.334382 0.250368 Se\n0.861887 0.250368 0.334382 Se\n0.999632 0.388113 0.696637 Se\n0.915618 0.696637 0.388113 Se\n0.250368 0.861887 0.553363 Se\n0.334382 0.553363 0.861887 Se\n0.388113 0.999632 0.915618 Se\n0.696637 0.915618 0.999632 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"V",
"Ag",
"Se"
],
"chemical_system": "Ag-Rb-Se-V",
"density": 4.081238611206736,
"density_atomic": 0.030456447382339644,
"volume": 525.3403261103164,
"volume_molar": 19.772958692128928,
"formula_full": "Rb4 V2 Ag2 Se8",
"formula_reduced": "Rb2VAgSe4",
"formula_anonymous": "ABC2D4",
"energy": -73.39221438999999,
"energy_per_atom": -4.5870133993749995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.61621439,
"band_gap": 1.0307,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005711,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.707000Z",
"spacegroup": 70
},
{
"id": "mp-1110581",
"created_at": "2022-09-04T14:41:12.406084Z",
"structure_string": "Rb2 V1 Au1 F6\n1.0\n6.299085 0.000000 0.000000\n3.149543 5.455168 0.000000\n3.149543 1.818389 5.143181\nRb V Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Au\n0.220531 0.779469 0.220531 F\n0.779469 0.779469 0.220531 F\n0.779469 0.220531 0.779469 F\n0.779469 0.220531 0.220531 F\n0.220531 0.779469 0.779469 F\n0.220531 0.220531 0.779469 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"V",
"Au",
"F"
],
"chemical_system": "Au-F-Rb-V",
"density": 5.006378625373171,
"density_atomic": 0.056582560046261374,
"volume": 176.7329013007558,
"volume_molar": 10.643104085563383,
"formula_full": "Rb2 V1 Au1 F6",
"formula_reduced": "Rb2VAuF6",
"formula_anonymous": "ABC2D6",
"energy": -51.00218538,
"energy_per_atom": -5.100218538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.53018537999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9997613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.317000Z",
"spacegroup": 225
},
{
"id": "mp-1219122",
"created_at": "2022-09-04T14:39:28.486928Z",
"structure_string": "Rb2 V6 Cd8 O24\n1.0\n6.880856 6.648865 0.000000\n-6.880856 6.648865 0.000000\n0.000000 3.045228 6.520711\nRb V Cd O\n2 6 8 24\ndirect\n0.974036 0.027206 0.749622 Rb\n0.027206 0.974036 0.249622 Rb\n0.703393 0.296396 0.750445 V\n0.296396 0.703393 0.250445 V\n0.129523 0.351158 0.859266 V\n0.649929 0.871879 0.639215 V\n0.871879 0.649929 0.139215 V\n0.351158 0.129523 0.359266 V\n0.263853 0.735385 0.751623 Cd\n0.735385 0.263853 0.251623 Cd\n0.938517 0.615188 0.649311 Cd\n0.383383 0.063921 0.849963 Cd\n0.063921 0.383383 0.349963 Cd\n0.615188 0.938517 0.149311 Cd\n0.513727 0.523823 0.530097 Cd\n0.523823 0.513727 0.030097 Cd\n0.182072 0.180104 0.867964 O\n0.819587 0.817518 0.632475 O\n0.817518 0.819587 0.132475 O\n0.180104 0.182072 0.367964 O\n0.714497 0.476013 0.772872 O\n0.527539 0.285236 0.725600 O\n0.285236 0.527539 0.225600 O\n0.476013 0.714497 0.272872 O\n0.821063 0.269959 0.530169 O\n0.730059 0.178072 0.969716 O\n0.178072 0.730059 0.469716 O\n0.269959 0.821063 0.030169 O\n0.994212 0.329670 0.097925 O\n0.671422 0.005431 0.401937 O\n0.005431 0.671422 0.901937 O\n0.329670 0.994212 0.597925 O\n0.285477 0.484474 0.789207 O\n0.518596 0.710051 0.708707 O\n0.710051 0.518596 0.208707 O\n0.484474 0.285477 0.289207 O\n0.040609 0.397145 0.674990 O\n0.602882 0.958393 0.824697 O\n0.958393 0.602882 0.324697 O\n0.397145 0.040609 0.174990 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-Rb-V",
"density": 4.8979217344545125,
"density_atomic": 0.06704170626142855,
"volume": 596.6435258079553,
"volume_molar": 8.982678239895499,
"formula_full": "Rb2 V6 Cd8 O24",
"formula_reduced": "RbV3Cd4O12",
"formula_anonymous": "AB3C4D12",
"energy": -263.85736134,
"energy_per_atom": -6.5964340335000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -237.16936134,
"band_gap": 2.3178,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.075000Z",
"spacegroup": 9
},
{
"id": "mp-558909",
"created_at": "2022-09-04T14:39:07.892545Z",
"structure_string": "Rb4 V12 Cd12 O44\n1.0\n9.968229 0.000000 0.000000\n0.000000 8.568776 0.000000\n0.000000 1.864606 12.738654\nRb V Cd O\n4 12 12 44\ndirect\n0.747572 0.888623 0.509737 Rb\n0.247572 0.111377 0.990263 Rb\n0.252428 0.111377 0.490263 Rb\n0.752428 0.888623 0.009737 Rb\n0.675213 0.679163 0.784161 V\n0.431847 0.764436 0.149269 V\n0.068153 0.764436 0.649269 V\n0.567791 0.222452 0.605392 V\n0.568153 0.235564 0.850731 V\n0.324787 0.320837 0.215839 V\n0.824787 0.679163 0.284161 V\n0.432209 0.777548 0.394608 V\n0.175213 0.320837 0.715839 V\n0.067791 0.777548 0.894608 V\n0.932209 0.222452 0.105392 V\n0.931847 0.235564 0.350731 V\n0.895091 0.432576 0.846955 Cd\n0.645168 0.452376 0.067819 Cd\n0.375104 0.919686 0.761253 Cd\n0.124896 0.919686 0.261253 Cd\n0.875104 0.080314 0.738747 Cd\n0.854832 0.452376 0.567819 Cd\n0.354832 0.547624 0.932181 Cd\n0.604909 0.432576 0.346955 Cd\n0.145168 0.547624 0.432181 Cd\n0.624896 0.080314 0.238747 Cd\n0.395091 0.567424 0.653045 Cd\n0.104909 0.567424 0.153045 Cd\n0.007735 0.678934 0.282968 O\n0.769519 0.868799 0.266357 O\n0.269519 0.131201 0.233643 O\n0.256225 0.784195 0.396673 O\n0.495208 0.676023 0.507503 O\n0.730481 0.868799 0.766357 O\n0.258288 0.782513 0.149100 O\n0.498371 0.962070 0.376534 O\n0.510490 0.346350 0.944840 O\n0.732649 0.583387 0.907263 O\n0.983597 0.323401 0.216867 O\n0.992265 0.321066 0.717032 O\n0.504792 0.323977 0.492497 O\n0.232649 0.416613 0.592737 O\n0.741712 0.217487 0.850900 O\n0.489510 0.653650 0.055160 O\n0.483597 0.676599 0.283133 O\n0.267351 0.416613 0.092737 O\n0.260678 0.420159 0.312832 O\n0.743775 0.215805 0.603327 O\n0.010490 0.653650 0.555160 O\n0.516403 0.323401 0.716867 O\n0.998371 0.037930 0.123466 O\n0.004792 0.676023 0.007503 O\n0.758288 0.217487 0.350900 O\n0.997856 0.946227 0.627583 O\n0.239322 0.420159 0.812832 O\n0.002144 0.053773 0.372417 O\n0.001629 0.962070 0.876534 O\n0.016403 0.676599 0.783133 O\n0.739322 0.579841 0.687168 O\n0.497856 0.053773 0.872417 O\n0.756225 0.215805 0.103327 O\n0.507735 0.321066 0.217032 O\n0.995208 0.323977 0.992497 O\n0.243775 0.784195 0.896673 O\n0.767351 0.583387 0.407263 O\n0.501629 0.037930 0.623466 O\n0.989510 0.346350 0.444840 O\n0.760678 0.579841 0.187168 O\n0.502144 0.946227 0.127583 O\n0.230481 0.131201 0.733643 O\n0.492265 0.678934 0.782968 O\n0.241712 0.782513 0.649100 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-Rb-V",
"density": 4.5876316713221215,
"density_atomic": 0.06617167961450585,
"volume": 1088.0787735697206,
"volume_molar": 9.100782683895869,
"formula_full": "Rb4 V12 Cd12 O44",
"formula_reduced": "RbV3Cd3O11",
"formula_anonymous": "AB3C3D11",
"energy": -492.9786697799999,
"energy_per_atom": -6.846925969166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -442.35066978,
"band_gap": 2.978,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041479,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.015000Z",
"spacegroup": 14
},
{
"id": "mp-557660",
"created_at": "2022-09-04T14:43:54.233768Z",
"structure_string": "Rb2 V4 Cr2 O14\n1.0\n4.955671 0.000000 0.000000\n0.000000 6.850473 -1.367188\n0.000000 0.006223 8.670384\nRb V Cr O\n2 4 2 14\ndirect\n0.610447 0.750000 0.500000 Rb\n0.389553 0.250000 0.500000 Rb\n0.003387 0.124966 0.833210 V\n0.996613 0.875034 0.166790 V\n0.996613 0.624966 0.833210 V\n0.003387 0.375034 0.166790 V\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.716558 0.250000 0.000000 O\n0.283442 0.750000 0.000000 O\n0.678233 0.978406 0.201009 O\n0.678233 0.521594 0.798991 O\n0.321767 0.021594 0.798991 O\n0.321767 0.478406 0.201009 O\n0.841721 0.611396 0.110698 O\n0.158279 0.111396 0.110698 O\n0.841721 0.888604 0.889302 O\n0.158279 0.388604 0.889302 O\n0.876807 0.379773 0.342702 O\n0.123193 0.620227 0.657298 O\n0.876807 0.120227 0.657298 O\n0.123193 0.879773 0.342702 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-Rb-V",
"density": 3.963569385949925,
"density_atomic": 0.0747307117487071,
"volume": 294.39034481537124,
"volume_molar": 8.058454976650461,
"formula_full": "Rb2 V4 Cr2 O14",
"formula_reduced": "RbV2CrO7",
"formula_anonymous": "ABC2D7",
"energy": -179.05210522999997,
"energy_per_atom": -8.13873205590909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.63610523,
"band_gap": 1.8638,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999245,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.292000Z",
"spacegroup": 13
},
{
"id": "mp-1113787",
"created_at": "2022-09-04T14:47:36.502098Z",
"structure_string": "Rb2 V1 Cu1 F6\n1.0\n6.002608 0.000000 0.000000\n3.001304 5.198411 0.000000\n3.001304 1.732804 4.901109\nRb V Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Cu\n0.234190 0.765810 0.234190 F\n0.765810 0.765810 0.234190 F\n0.765810 0.234190 0.765810 F\n0.765810 0.234190 0.234190 F\n0.234190 0.765810 0.765810 F\n0.234190 0.234190 0.765810 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cu",
"F"
],
"chemical_system": "Cu-F-Rb-V",
"density": 4.336775103916321,
"density_atomic": 0.06538754667489251,
"volume": 152.9343201958638,
"volume_molar": 9.209920032544025,
"formula_full": "Rb2 V1 Cu1 F6",
"formula_reduced": "Rb2VCuF6",
"formula_anonymous": "ABC2D6",
"energy": -53.46730401000001,
"energy_per_atom": -5.346730401,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.99530401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.979000Z",
"spacegroup": 225
},
{
"id": "mp-1209206",
"created_at": "2022-09-04T14:45:35.540893Z",
"structure_string": "Rb4 V4 Cu4 F24\n1.0\n6.971030 0.000000 0.000000\n0.000000 7.667373 0.000000\n0.000000 0.000000 10.451757\nRb V Cu F\n4 4 4 24\ndirect\n0.010481 0.250000 0.624331 Rb\n0.989519 0.750000 0.375669 Rb\n0.489519 0.750000 0.124331 Rb\n0.510481 0.250000 0.875669 Rb\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.209380 0.250000 0.256314 Cu\n0.790620 0.750000 0.743686 Cu\n0.290620 0.750000 0.756314 Cu\n0.709380 0.250000 0.243686 Cu\n0.269736 0.050211 0.403275 F\n0.730264 0.949789 0.596725 F\n0.230264 0.949789 0.903275 F\n0.730264 0.550211 0.596725 F\n0.769736 0.050211 0.096725 F\n0.269736 0.449789 0.403275 F\n0.769736 0.449789 0.096725 F\n0.230264 0.550211 0.903275 F\n0.570442 0.250000 0.514557 F\n0.429558 0.750000 0.485443 F\n0.929558 0.750000 0.014557 F\n0.070442 0.250000 0.985443 F\n0.147974 0.508925 0.156102 F\n0.852026 0.491075 0.843898 F\n0.352026 0.491075 0.656102 F\n0.852026 0.008925 0.843898 F\n0.647974 0.508925 0.343898 F\n0.147974 0.991075 0.156102 F\n0.647974 0.991075 0.343898 F\n0.352026 0.008925 0.656102 F\n0.453798 0.250000 0.175390 F\n0.546202 0.750000 0.824610 F\n0.046202 0.750000 0.675390 F\n0.953798 0.250000 0.324610 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cu",
"F"
],
"chemical_system": "Cu-F-Rb-V",
"density": 3.7327663595536977,
"density_atomic": 0.06444209545467863,
"volume": 558.6410520328033,
"volume_molar": 9.34504180460007,
"formula_full": "Rb4 V4 Cu4 F24",
"formula_reduced": "RbVCuF6",
"formula_anonymous": "ABCD6",
"energy": -200.92701667,
"energy_per_atom": -5.581306018611111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.03901667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1204765,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.186000Z",
"spacegroup": 62
},
{
"id": "mp-15998",
"created_at": "2022-09-04T14:41:17.836600Z",
"structure_string": "Rb2 V2 Cu4 S8\n1.0\n2.712902 -9.277182 0.000000\n2.712902 9.277182 0.000000\n0.000000 0.000000 7.489758\nRb V Cu S\n2 2 4 8\ndirect\n0.175653 0.541281 0.750000 Rb\n0.541281 0.175653 0.250000 Rb\n0.709415 0.497294 0.750000 V\n0.497294 0.709415 0.250000 V\n0.618818 0.618818 0.500000 Cu\n0.998743 0.206849 0.250000 Cu\n0.206849 0.998743 0.750000 Cu\n0.618818 0.618818 0.000000 Cu\n0.731622 0.943210 0.010442 S\n0.377178 0.363239 0.750000 S\n0.363239 0.377178 0.250000 S\n0.943210 0.731622 0.510442 S\n0.567820 0.167029 0.750000 S\n0.943210 0.731622 0.989558 S\n0.167029 0.567820 0.250000 S\n0.731622 0.943210 0.489558 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cu",
"S"
],
"chemical_system": "Cu-Rb-S-V",
"density": 3.451061205399365,
"density_atomic": 0.04243967202982496,
"volume": 377.0057409669853,
"volume_molar": 14.189885246445526,
"formula_full": "Rb2 V2 Cu4 S8",
"formula_reduced": "RbV(CuS2)2",
"formula_anonymous": "ABC2D4",
"energy": -86.97388298,
"energy_per_atom": -5.43586768625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.94988298,
"band_gap": 0.8835999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002579,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.141000Z",
"spacegroup": 40
},
{
"id": "mp-15219",
"created_at": "2022-09-04T14:43:14.272742Z",
"structure_string": "Rb4 V2 Cu2 S8\n1.0\n0.000000 6.814159 11.955503\n2.726186 0.000000 11.955503\n2.726186 6.814159 0.000000\nRb V Cu S\n4 2 2 8\ndirect\n0.572417 0.572417 0.927583 Rb\n0.927583 0.927583 0.572417 Rb\n0.322417 0.322417 0.677583 Rb\n0.677583 0.677583 0.322417 Rb\n0.750000 0.750000 0.750000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Cu\n0.228394 0.876341 0.585785 S\n0.309480 0.585785 0.876341 S\n0.585785 0.309480 0.228394 S\n0.876341 0.228394 0.309480 S\n0.373659 0.021606 0.940520 S\n0.940520 0.664215 0.373659 S\n0.664215 0.940520 0.021606 S\n0.021606 0.373659 0.664215 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cu",
"S"
],
"chemical_system": "Cu-Rb-S-V",
"density": 3.093009669049532,
"density_atomic": 0.03602088575625977,
"volume": 444.1867451085511,
"volume_molar": 16.7184693923121,
"formula_full": "Rb4 V2 Cu2 S8",
"formula_reduced": "Rb2VCuS4",
"formula_anonymous": "ABC2D4",
"energy": -83.86855656,
"energy_per_atom": -5.241784785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.84455656,
"band_gap": 1.2439,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012885,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.181000Z",
"spacegroup": 70
},
{
"id": "mp-672155",
"created_at": "2022-09-04T14:40:55.519327Z",
"structure_string": "Rb4 V2 Cu2 S8\n1.0\n0.000000 6.814159 11.955503\n2.726186 0.000000 11.955503\n2.726186 6.814159 0.000000\nRb V Cu S\n4 2 2 8\ndirect\n0.947216 0.943511 0.303262 Rb\n0.300262 0.301639 0.953778 Rb\n0.690481 0.704355 0.062454 Rb\n0.056853 0.049656 0.700095 Rb\n0.121569 0.126268 0.122182 V\n0.875760 0.875267 0.867706 V\n0.380209 0.371007 0.376755 Cu\n0.627459 0.622981 0.629756 Cu\n0.603086 0.253522 0.966780 S\n0.692148 0.956012 0.247788 S\n0.960086 0.684454 0.610706 S\n0.249518 0.601940 0.682021 S\n0.758300 0.387861 0.306397 S\n0.322102 0.030172 0.745376 S\n0.036288 0.321631 0.401415 S\n0.389255 0.753513 0.041397 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cu",
"S"
],
"chemical_system": "Cu-Rb-S-V",
"density": 3.093009669049532,
"density_atomic": 0.03602088575625977,
"volume": 444.1867451085511,
"volume_molar": 16.7184693923121,
"formula_full": "Rb4 V2 Cu2 S8",
"formula_reduced": "Rb2VCuS4",
"formula_anonymous": "ABC2D4",
"energy": -83.68010088,
"energy_per_atom": -5.230006305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.65610088,
"band_gap": 1.2306,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.391000Z",
"spacegroup": 5
},
{
"id": "mp-1179694",
"created_at": "2022-09-04T14:47:12.920252Z",
"structure_string": "Rb1 V1 Cu3 Se4\n1.0\n6.159101 0.000000 0.000000\n0.000000 6.159101 0.000000\n0.000000 0.000000 6.159101\nRb V Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.217767 0.217767 0.217767 Se\n0.782233 0.782233 0.217767 Se\n0.217767 0.782233 0.782233 Se\n0.782233 0.217767 0.782233 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se-V",
"density": 4.56911370870693,
"density_atomic": 0.038520377242805846,
"volume": 233.64257165162786,
"volume_molar": 15.633649489049873,
"formula_full": "Rb1 V1 Cu3 Se4",
"formula_reduced": "RbVCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -42.13767251,
"energy_per_atom": -4.681963612222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.24967251,
"band_gap": 0.2951999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9995558,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.351000Z",
"spacegroup": 215
},
{
"id": "mp-1113932",
"created_at": "2022-09-04T14:45:55.909882Z",
"structure_string": "Rb2 V1 Hg1 F6\n1.0\n6.790356 0.000000 0.000000\n3.395178 5.880621 0.000000\n3.395178 1.960207 5.544302\nRb V Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Hg\n0.194812 0.805188 0.194812 F\n0.805188 0.805188 0.194812 F\n0.805188 0.194812 0.805188 F\n0.805188 0.194812 0.194812 F\n0.194812 0.805188 0.805188 F\n0.194812 0.194812 0.805188 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"V",
"Hg",
"F"
],
"chemical_system": "F-Hg-Rb-V",
"density": 4.023665059471057,
"density_atomic": 0.0451686787869749,
"volume": 221.39235126097284,
"volume_molar": 13.332559024809418,
"formula_full": "Rb2 V1 Hg1 F6",
"formula_reduced": "Rb2VHgF6",
"formula_anonymous": "ABC2D6",
"energy": -49.54081476,
"energy_per_atom": -4.954081476000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.06881476,
"band_gap": 0.0035999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.999896,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.475000Z",
"spacegroup": 225
}
]
}