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=4",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=2",
"results": [
{
"id": "mp-38637",
"created_at": "2022-09-04T14:45:10.657438Z",
"structure_string": "Rb1 W6 O18\n1.0\n-3.758859 3.865227 6.515897\n3.758859 -3.865227 6.515897\n3.758859 3.865227 -6.515897\nRb W O\n1 6 18\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.250759 0.500000 0.750759 W\n0.749241 0.500000 0.249241 W\n0.749972 0.000120 0.250147 O\n0.646217 0.212133 0.070262 O\n0.141871 0.212133 0.565916 O\n0.964596 0.212131 0.752464 O\n0.459667 0.212131 0.247536 O\n0.646217 0.575955 0.434084 O\n0.141871 0.575955 0.929738 O\n0.250028 0.999880 0.749853 O\n0.250028 0.500175 0.250147 O\n0.749972 0.499825 0.749853 O\n0.353783 0.424045 0.565916 O\n0.858129 0.424045 0.070262 O\n0.035404 0.787869 0.247536 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.540333 0.787869 0.752464 O\n0.353783 0.787867 0.929738 O\n0.858129 0.787867 0.434084 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.474651909547823,
"density_atomic": 0.06601988555475279,
"volume": 378.67378578332364,
"volume_molar": 9.121707360437048,
"formula_full": "Rb1 W6 O18",
"formula_reduced": "Rb(WO3)6",
"formula_anonymous": "AB6C18",
"energy": -223.53911317,
"energy_per_atom": -8.9415645268,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.54511317,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7391494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.477000Z",
"spacegroup": 71
},
{
"id": "mp-1045419",
"created_at": "2022-09-04T14:45:10.552522Z",
"structure_string": "Y2 Cr4 S8\n1.0\n-3.581547 3.831751 5.069200\n3.581547 -3.831751 5.069200\n3.581547 3.831751 -5.069200\nY Cr S\n2 4 8\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.730133 0.263950 0.466183 S\n0.742580 0.724247 0.481667 S\n0.297766 0.263950 0.033817 S\n0.257420 0.739087 0.981667 S\n0.702233 0.736050 0.966183 S\n0.257420 0.275753 0.518333 S\n0.742580 0.260913 0.018333 S\n0.269867 0.736050 0.533817 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Cr",
"S"
],
"chemical_system": "Cr-S-Y",
"density": 3.832927051376205,
"density_atomic": 0.050310737544717425,
"volume": 278.270617431447,
"volume_molar": 11.969891625316313,
"formula_full": "Y2 Cr4 S8",
"formula_reduced": "Y(CrS2)2",
"formula_anonymous": "AB2C4",
"energy": -103.88491179,
"energy_per_atom": -7.420350842142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.86091179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.5626291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.110000Z",
"spacegroup": 74
},
{
"id": "mp-772202",
"created_at": "2022-09-04T14:45:10.563929Z",
"structure_string": "Cr16 P8 O36\n1.0\n12.069537 0.000000 0.000000\n0.000000 6.536350 0.000000\n0.000000 2.492283 9.270198\nCr P O\n16 8 36\ndirect\n0.389397 0.927819 0.889016 Cr\n0.110603 0.927819 0.389016 Cr\n0.616929 0.774271 0.753526 Cr\n0.398972 0.818670 0.536167 Cr\n0.883071 0.774271 0.253526 Cr\n0.101028 0.818670 0.036167 Cr\n0.868867 0.541695 0.691085 Cr\n0.368867 0.458305 0.808915 Cr\n0.631133 0.541695 0.191085 Cr\n0.131133 0.458305 0.308915 Cr\n0.898972 0.181330 0.963833 Cr\n0.116929 0.225729 0.746474 Cr\n0.601028 0.181330 0.463833 Cr\n0.383071 0.225729 0.246474 Cr\n0.889397 0.072181 0.610984 Cr\n0.610603 0.072181 0.110984 Cr\n0.824359 0.706528 0.924092 P\n0.124894 0.761172 0.684237 P\n0.675641 0.706528 0.424092 P\n0.375106 0.761172 0.184237 P\n0.624894 0.238828 0.815763 P\n0.324359 0.293472 0.575908 P\n0.875106 0.238828 0.315763 P\n0.175641 0.293472 0.075908 P\n0.111774 0.889253 0.800644 O\n0.800478 0.819265 0.756545 O\n0.212919 0.871936 0.571661 O\n0.445435 0.754638 0.756780 O\n0.603178 0.848641 0.492157 O\n0.709639 0.650610 0.991048 O\n0.388226 0.889253 0.300644 O\n0.017038 0.777786 0.588915 O\n0.699522 0.819265 0.256545 O\n0.287081 0.871936 0.071661 O\n0.054565 0.754638 0.256780 O\n0.896822 0.848641 0.992157 O\n0.790361 0.650610 0.491048 O\n0.892648 0.510059 0.911941 O\n0.482962 0.777786 0.088915 O\n0.154326 0.531611 0.758053 O\n0.654326 0.468389 0.741947 O\n0.392648 0.489941 0.588059 O\n0.607352 0.510059 0.411941 O\n0.345674 0.531611 0.258053 O\n0.845674 0.468389 0.241947 O\n0.517038 0.222214 0.911085 O\n0.107352 0.489941 0.088059 O\n0.209639 0.349390 0.508952 O\n0.103178 0.151359 0.007843 O\n0.945435 0.245362 0.743220 O\n0.712919 0.128064 0.928339 O\n0.300478 0.180735 0.743455 O\n0.982962 0.222214 0.411085 O\n0.611774 0.110747 0.699356 O\n0.290361 0.349390 0.008952 O\n0.396822 0.151359 0.507843 O\n0.554565 0.245362 0.243220 O\n0.787081 0.128064 0.428339 O\n0.199522 0.180735 0.243455 O\n0.888226 0.110747 0.199356 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.759390376804111,
"density_atomic": 0.08204201730037317,
"volume": 731.3325777976341,
"volume_molar": 7.340312876451672,
"formula_full": "Cr16 P8 O36",
"formula_reduced": "Cr4P2O9",
"formula_anonymous": "A2B4C9",
"energy": -516.06924731,
"energy_per_atom": -8.601154121833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -459.35324731,
"band_gap": 1.7710000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 63.9997029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.354000Z",
"spacegroup": 14
},
{
"id": "mp-1218579",
"created_at": "2022-09-04T14:45:10.585606Z",
"structure_string": "Sr4 La1 Mn5 O13\n1.0\n0.000008 3.873345 -0.000003\n-0.025107 -0.000007 8.843152\n8.900727 0.000019 -0.068337\nSr La Mn O\n4 1 5 13\ndirect\n0.500017 0.899308 0.321261 Sr\n0.500015 0.100710 0.678727 Sr\n0.499995 0.701644 0.884977 Sr\n0.499999 0.298329 0.115043 Sr\n0.500070 0.500001 0.500007 La\n0.000025 0.800418 0.605063 Mn\n0.999996 0.199608 0.394910 Mn\n0.000013 0.606323 0.196923 Mn\n0.000013 0.393656 0.803100 Mn\n0.999717 0.000009 0.000034 Mn\n0.000035 0.685254 0.413412 O\n0.000022 0.314738 0.586598 O\n0.500017 0.587041 0.164687 O\n0.500012 0.412936 0.835352 O\n0.000033 0.000014 0.500035 O\n0.999978 0.796440 0.078794 O\n0.999976 0.203618 0.921207 O\n0.999998 0.916645 0.801329 O\n0.999992 0.083267 0.198495 O\n0.000027 0.595949 0.713889 O\n0.000022 0.404061 0.286124 O\n0.500025 0.791235 0.599891 O\n0.500002 0.208796 0.400141 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.29463970286269,
"density_atomic": 0.07544293068420672,
"volume": 304.86620537416155,
"volume_molar": 7.982379137957693,
"formula_full": "Sr4 La1 Mn5 O13",
"formula_reduced": "Sr4LaMn5O13",
"formula_anonymous": "AB4C5D13",
"energy": -182.13037702000003,
"energy_per_atom": -7.918712044347827,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.85937702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0012618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.153000Z",
"spacegroup": 10
},
{
"id": "mp-1100818",
"created_at": "2022-09-04T14:45:10.586288Z",
"structure_string": "Zr4 Pb4 O20\n1.0\n6.603525 -0.230839 0.706040\n-0.272546 7.953301 0.116762\n0.979142 0.223460 7.802259\nZr Pb O\n4 4 20\ndirect\n0.760411 0.248773 0.379683 Zr\n0.757129 0.772498 0.355082 Zr\n0.707277 0.247531 0.894513 Zr\n0.815263 0.769602 0.847129 Zr\n0.237304 0.993857 0.510807 Pb\n0.134191 0.038734 0.039881 Pb\n0.306332 0.480336 0.854537 Pb\n0.099545 0.520849 0.510152 Pb\n0.983739 0.268569 0.000045 O\n0.064919 0.225025 0.455849 O\n0.861977 0.766959 0.087977 O\n0.956191 0.788587 0.542675 O\n0.386021 0.472929 0.561362 O\n0.125050 0.927031 0.796328 O\n0.308601 0.017506 0.227650 O\n0.274793 0.537558 0.175859 O\n0.493691 0.160110 0.528837 O\n0.388981 0.231602 0.907316 O\n0.466102 0.800067 0.476990 O\n0.425050 0.757749 0.992881 O\n0.660587 0.305921 0.156220 O\n0.409806 0.678142 0.151201 O\n0.637024 0.531472 0.832999 O\n0.719465 0.006730 0.841841 O\n0.852679 0.019625 0.289230 O\n0.868257 0.522461 0.359532 O\n0.843751 0.321482 0.631756 O\n0.041860 0.575296 0.795666 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Zr",
"density": 6.228666397506701,
"density_atomic": 0.0693855099586996,
"volume": 403.5424689775497,
"volume_molar": 8.679248395788349,
"formula_full": "Zr4 Pb4 O20",
"formula_reduced": "ZrPbO5",
"formula_anonymous": "ABC5",
"energy": -188.8589448,
"energy_per_atom": -6.744962314285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -188.8589448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999782,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.704000Z",
"spacegroup": 1
},
{
"id": "mp-695965",
"created_at": "2022-09-04T14:45:10.587911Z",
"structure_string": "Rb2 Na4 P6 H12 O24\n1.0\n7.636598 0.000000 0.000000\n1.867471 8.605692 0.000000\n0.931672 3.905540 9.014525\nRb Na P H O\n2 4 6 12 24\ndirect\n0.754271 0.852528 0.619818 Rb\n0.245729 0.147472 0.380182 Rb\n0.470322 0.221818 0.713544 Na\n0.529678 0.778182 0.286456 Na\n0.851661 0.527200 0.140842 Na\n0.148339 0.472800 0.859158 Na\n0.926636 0.138266 0.757415 P\n0.073364 0.861734 0.242585 P\n0.258102 0.618613 0.118312 P\n0.741898 0.381387 0.881688 P\n0.754687 0.127678 0.200414 P\n0.245313 0.872322 0.799586 P\n0.714809 0.901986 0.970290 H\n0.285191 0.098014 0.029710 H\n0.569016 0.794188 0.992836 H\n0.430984 0.205812 0.007164 H\n0.486805 0.396785 0.386912 H\n0.513195 0.603215 0.613088 H\n0.656403 0.259216 0.404211 H\n0.343597 0.740784 0.595789 H\n0.817144 0.443025 0.461193 H\n0.182856 0.556975 0.538807 H\n0.880140 0.617942 0.401447 H\n0.119860 0.382058 0.598553 H\n0.238389 0.938396 0.211045 O\n0.761611 0.061604 0.788955 O\n0.017096 0.769280 0.401060 O\n0.982904 0.230720 0.598939 O\n0.915849 0.262263 0.844126 O\n0.084151 0.737737 0.155874 O\n0.908932 0.004054 0.148414 O\n0.091068 0.995946 0.851586 O\n0.666472 0.252185 0.037915 O\n0.333528 0.747815 0.962085 O\n0.181023 0.487889 0.094092 O\n0.818977 0.512111 0.905908 O\n0.402967 0.568893 0.228860 O\n0.597033 0.431107 0.771140 O\n0.838996 0.225827 0.262592 O\n0.161004 0.774173 0.737408 O\n0.384788 0.969600 0.710117 O\n0.615212 0.030400 0.289883 O\n0.665386 0.805564 0.044835 O\n0.334614 0.194436 0.955165 O\n0.449005 0.711472 0.539379 O\n0.550995 0.288528 0.460621 O\n0.796270 0.557414 0.382234 O\n0.203730 0.442586 0.617766 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Rb",
"Na",
"P",
"H",
"O"
],
"chemical_system": "H-Na-O-P-Rb",
"density": 2.3680111717276184,
"density_atomic": 0.08102381013349931,
"volume": 592.4184498471813,
"volume_molar": 7.432556862084846,
"formula_full": "Rb2 Na4 P6 H12 O24",
"formula_reduced": "RbNa2P3(HO2)6",
"formula_anonymous": "AB2C3D6E12",
"energy": -301.10776692,
"energy_per_atom": -6.2730784775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.61976692,
"band_gap": 5.0053,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004067,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.214000Z",
"spacegroup": 2
},
{
"id": "mp-1105411",
"created_at": "2022-09-04T14:45:10.593761Z",
"structure_string": "Li4 Cr4 Ge8 O24\n1.0\n-0.073069 0.000641 5.580678\n-4.813198 4.364040 1.786721\n-9.552619 -8.727171 -2.009262\nLi Cr Ge O\n4 4 8 24\ndirect\n0.887412 0.724093 0.138281 Li\n0.387523 0.724018 0.638368 Li\n0.612522 0.275989 0.361643 Li\n0.112584 0.275901 0.861712 Li\n0.706104 0.087725 0.956237 Cr\n0.293860 0.912311 0.043759 Cr\n0.206392 0.087246 0.456367 Cr\n0.793650 0.912767 0.543617 Cr\n0.154363 0.614404 0.402123 Ge\n0.654430 0.614637 0.902080 Ge\n0.940255 0.196118 0.192613 Ge\n0.440217 0.196538 0.692563 Ge\n0.345548 0.385353 0.097918 Ge\n0.845646 0.385594 0.597883 Ge\n0.559775 0.803462 0.307427 Ge\n0.059728 0.803852 0.807387 Ge\n0.134820 0.805389 0.493076 O\n0.634768 0.805683 0.992939 O\n0.955671 0.013652 0.097333 O\n0.455651 0.013775 0.597414 O\n0.365212 0.194321 0.007058 O\n0.865241 0.194601 0.506929 O\n0.544395 0.986232 0.402583 O\n0.044296 0.986357 0.902651 O\n0.255995 0.362262 0.459677 O\n0.756397 0.362388 0.959453 O\n0.021582 0.081889 0.318904 O\n0.521099 0.082806 0.818940 O\n0.243559 0.637609 0.040552 O\n0.744018 0.637740 0.540332 O\n0.478840 0.917187 0.181052 O\n0.978409 0.918124 0.681104 O\n0.882506 0.666681 0.304860 O\n0.382334 0.666569 0.804942 O\n0.089183 0.390298 0.166547 O\n0.589201 0.390725 0.666569 O\n0.617656 0.333431 0.195054 O\n0.117505 0.333350 0.695139 O\n0.410826 0.609260 0.333447 O\n0.910823 0.609665 0.833466 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ge",
"O"
],
"chemical_system": "Cr-Ge-Li-O",
"density": 4.274052931644044,
"density_atomic": 0.08573547951356592,
"volume": 466.5513067279317,
"volume_molar": 7.02409410219385,
"formula_full": "Li4 Cr4 Ge8 O24",
"formula_reduced": "LiCr(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -291.15656361,
"energy_per_atom": -7.27891409025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -266.67256361,
"band_gap": 2.8978,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0023297,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.881000Z",
"spacegroup": 15
},
{
"id": "mp-1182559",
"created_at": "2022-09-04T14:45:10.598230Z",
"structure_string": "Ba2 Cu2 C8 O28\n1.0\n6.440269 0.000000 0.000000\n1.972055 8.947331 0.000000\n2.066765 0.338948 10.549494\nBa Cu C O\n2 2 8 28\ndirect\n0.829886 0.111685 0.212060 Ba\n0.170114 0.888315 0.787940 Ba\n0.027911 0.440261 0.727579 Cu\n0.972089 0.559739 0.272421 Cu\n0.884936 0.229997 0.887210 C\n0.115064 0.770003 0.112790 C\n0.811090 0.378133 0.958285 C\n0.188910 0.621867 0.041715 C\n0.250783 0.501717 0.495935 C\n0.749217 0.498283 0.504065 C\n0.203922 0.645815 0.571648 C\n0.796078 0.354185 0.428352 C\n0.585827 0.831342 0.150189 O\n0.414173 0.168658 0.849811 O\n0.262433 0.179923 0.136739 O\n0.737567 0.820077 0.863261 O\n0.568706 0.965363 0.458627 O\n0.431294 0.034637 0.541373 O\n0.198575 0.070265 0.330953 O\n0.801425 0.929735 0.669047 O\n0.326647 0.140791 0.247056 O\n0.673353 0.859209 0.752944 O\n0.405304 0.303347 0.823885 O\n0.594696 0.696653 0.176115 O\n0.984110 0.238784 0.771120 O\n0.015890 0.761216 0.228880 O\n0.865836 0.492298 0.892968 O\n0.134164 0.507702 0.107032 O\n0.858092 0.108687 0.942717 O\n0.141908 0.891313 0.057283 O\n0.715159 0.377901 0.070228 O\n0.284841 0.622099 0.929772 O\n0.184207 0.389767 0.562044 O\n0.815793 0.610233 0.437956 O\n0.097073 0.631719 0.687575 O\n0.902927 0.368281 0.312425 O\n0.339537 0.494850 0.383240 O\n0.660463 0.505150 0.616760 O\n0.260439 0.763475 0.531339 O\n0.739561 0.236525 0.468661 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"C",
"O"
],
"chemical_system": "Ba-C-Cu-O",
"density": 2.583604676239226,
"density_atomic": 0.06580075098796782,
"volume": 607.8957975314645,
"volume_molar": 9.15208515036735,
"formula_full": "Ba2 Cu2 C8 O28",
"formula_reduced": "BaCu(C2O7)2",
"formula_anonymous": "ABC4D14",
"energy": -259.43598401,
"energy_per_atom": -6.485899600250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -259.43598401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.128000Z",
"spacegroup": 2
},
{
"id": "mp-1216438",
"created_at": "2022-09-04T14:45:10.615624Z",
"structure_string": "V2 Co6 As2 O16\n1.0\n3.055321 5.809053 0.000000\n-3.055321 5.809053 0.000000\n0.000000 0.014357 8.306776\nV Co As O\n2 6 2 16\ndirect\n0.621324 0.621324 0.881438 V\n0.378676 0.378676 0.118562 V\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.885716 0.385441 0.252083 Co\n0.614559 0.114284 0.747917 Co\n0.114284 0.614559 0.747917 Co\n0.385441 0.885716 0.252083 Co\n0.876538 0.876538 0.384600 As\n0.123462 0.123462 0.615400 As\n0.753533 0.753533 0.268096 O\n0.246467 0.246467 0.731904 O\n0.749242 0.749242 0.771057 O\n0.250758 0.250758 0.228943 O\n0.502076 0.502076 0.254196 O\n0.497924 0.497924 0.745804 O\n0.003882 0.003882 0.748927 O\n0.996118 0.996118 0.251073 O\n0.886202 0.354982 0.500227 O\n0.645018 0.113798 0.499773 O\n0.150846 0.615333 0.997546 O\n0.384667 0.849154 0.002454 O\n0.113798 0.645018 0.499773 O\n0.354982 0.886202 0.500227 O\n0.849154 0.384667 0.002454 O\n0.615333 0.150846 0.997546 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"V",
"Co",
"As",
"O"
],
"chemical_system": "As-Co-O-V",
"density": 4.850503443707389,
"density_atomic": 0.08817564981180984,
"volume": 294.8659868738238,
"volume_molar": 6.829709531886459,
"formula_full": "V2 Co6 As2 O16",
"formula_reduced": "VCo3AsO8",
"formula_anonymous": "ABC3D8",
"energy": -194.25507011,
"energy_per_atom": -7.471348850384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.03507011,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 18.000041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.044000Z",
"spacegroup": 12
},
{
"id": "mp-1096760",
"created_at": "2022-09-04T14:45:10.617148Z",
"structure_string": "Ti1 Al1 Ir2\n1.0\n-4.516259 5.357439 7.577035\n4.516259 -5.357439 7.577035\n4.516259 5.357439 -7.577035\nTi Al Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.267524 0.267524 Ir\n0.000000 0.732476 0.732476 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Ti",
"density": 1.0400007972957743,
"density_atomic": 0.005454621648001622,
"volume": 733.3230896895401,
"volume_molar": 110.40437171671289,
"formula_full": "Ti1 Al1 Ir2",
"formula_reduced": "TiAlIr2",
"formula_anonymous": "ABC2",
"energy": -19.94575277,
"energy_per_atom": -4.9864381925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.94575277,
"band_gap": 0.3952,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004068,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.574000Z",
"spacegroup": 71
},
{
"id": "mp-1217405",
"created_at": "2022-09-04T14:45:10.621059Z",
"structure_string": "Th1 Fe2 Co3\n1.0\n2.495617 -4.304920 0.000000\n2.495617 4.304920 0.000000\n0.000000 0.000000 4.030826\nTh Fe Co\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Co\n0.676379 0.323621 0.000000 Co\n0.323621 0.676379 0.000000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Th",
"density": 9.979891728574032,
"density_atomic": 0.06927622003223508,
"volume": 86.6098063261553,
"volume_molar": 8.692940748207429,
"formula_full": "Th1 Fe2 Co3",
"formula_reduced": "ThFe2Co3",
"formula_anonymous": "AB2C3",
"energy": -46.40639833,
"energy_per_atom": -7.734399721666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.40639833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0006598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.727000Z",
"spacegroup": 65
},
{
"id": "mp-12955",
"created_at": "2022-09-04T14:45:10.506695Z",
"structure_string": "Ho4 Ag4 Se8\n1.0\n4.264586 0.000000 0.000000\n0.000000 6.823607 0.000000\n0.000000 0.000000 13.783513\nHo Ag Se\n4 4 8\ndirect\n0.720496 0.293564 0.372623 Ho\n0.220496 0.206436 0.627377 Ho\n0.279504 0.793564 0.127377 Ho\n0.779504 0.706436 0.872623 Ho\n0.007386 0.706815 0.627150 Ag\n0.992614 0.206815 0.872850 Ag\n0.507386 0.793185 0.372850 Ag\n0.492614 0.293185 0.127150 Ag\n0.228277 0.489565 0.473309 Se\n0.728277 0.010435 0.526691 Se\n0.771723 0.989565 0.026691 Se\n0.271723 0.510435 0.973309 Se\n0.222805 0.088370 0.274342 Se\n0.277195 0.911630 0.774342 Se\n0.777195 0.588370 0.225658 Se\n0.722805 0.411630 0.725658 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ho",
"Ag",
"Se"
],
"chemical_system": "Ag-Ho-Se",
"density": 7.13266507622534,
"density_atomic": 0.03989047241136423,
"volume": 401.09828319410497,
"volume_molar": 15.096689499932765,
"formula_full": "Ho4 Ag4 Se8",
"formula_reduced": "HoAgSe2",
"formula_anonymous": "ABC2",
"energy": -80.65468526,
"energy_per_atom": -5.04091782875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.87868526,
"band_gap": 1.2712,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0056196,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.667000Z",
"spacegroup": 19
}
]
}