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=10131",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=10129",
"results": [
{
"id": "mp-631277",
"created_at": "2022-09-04T14:47:34.032010Z",
"structure_string": "Sr1 Cr1 W2\n1.0\n0.000000 3.275613 3.275613\n3.275613 0.000000 3.275613\n3.275613 3.275613 0.000000\nSr Cr W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.750000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cr",
"W"
],
"chemical_system": "Cr-Sr-W",
"density": 11.984029439735096,
"density_atomic": 0.05690523714494074,
"volume": 70.29229998307154,
"volume_molar": 10.58275312105506,
"formula_full": "Sr1 Cr1 W2",
"formula_reduced": "SrCrW2",
"formula_anonymous": "ABC2",
"energy": -31.41971132,
"energy_per_atom": -7.85492783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.41971132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.571000Z",
"spacegroup": 225
},
{
"id": "mp-558478",
"created_at": "2022-09-04T14:47:34.184200Z",
"structure_string": "La12 Nb4 Se8 O16 F8\n1.0\n4.029295 0.000000 0.000000\n0.000000 11.424587 0.000000\n0.000000 0.000000 18.261684\nLa Nb Se O F\n12 4 8 16 8\ndirect\n0.750000 0.706236 0.531810 La\n0.750000 0.496216 0.106644 La\n0.250000 0.793764 0.031810 La\n0.250000 0.066383 0.198480 La\n0.750000 0.433617 0.698480 La\n0.750000 0.996216 0.393356 La\n0.250000 0.293764 0.468190 La\n0.250000 0.503784 0.893356 La\n0.750000 0.933617 0.801520 La\n0.250000 0.566383 0.301520 La\n0.750000 0.206236 0.968190 La\n0.250000 0.003784 0.606644 La\n0.250000 0.692218 0.695117 Nb\n0.750000 0.307782 0.304883 Nb\n0.250000 0.192218 0.804883 Nb\n0.750000 0.807782 0.195117 Nb\n0.250000 0.784467 0.408580 Se\n0.750000 0.993424 0.079696 Se\n0.750000 0.493424 0.420304 Se\n0.750000 0.215533 0.591420 Se\n0.750000 0.715533 0.908580 Se\n0.250000 0.506576 0.579696 Se\n0.250000 0.284467 0.091420 Se\n0.250000 0.006576 0.920304 Se\n0.250000 0.830208 0.178942 O\n0.750000 0.947790 0.255023 O\n0.250000 0.052210 0.744977 O\n0.250000 0.330208 0.321058 O\n0.750000 0.185690 0.238601 O\n0.250000 0.814310 0.761399 O\n0.750000 0.217868 0.401213 O\n0.750000 0.717868 0.098787 O\n0.250000 0.314310 0.738601 O\n0.250000 0.282132 0.901213 O\n0.750000 0.685690 0.261399 O\n0.750000 0.169792 0.821058 O\n0.750000 0.447790 0.244977 O\n0.250000 0.782132 0.598787 O\n0.750000 0.669792 0.678942 O\n0.250000 0.552210 0.755023 O\n0.750000 0.430321 0.973768 F\n0.250000 0.569679 0.026232 F\n0.250000 0.069679 0.473768 F\n0.750000 0.930321 0.526232 F\n0.250000 0.061854 0.331515 F\n0.750000 0.438146 0.831515 F\n0.750000 0.938146 0.668485 F\n0.250000 0.561854 0.168485 F\n",
"nsites": 48,
"nelements": 5,
"elements": [
"La",
"Nb",
"Se",
"O",
"F"
],
"chemical_system": "F-La-Nb-O-Se",
"density": 6.080346204131484,
"density_atomic": 0.05709930731576853,
"volume": 840.6406707274421,
"volume_molar": 10.546784266044726,
"formula_full": "La12 Nb4 Se8 O16 F8",
"formula_reduced": "La3NbSe2(O2F)2",
"formula_anonymous": "AB2C2D3E4",
"energy": -387.17198507,
"energy_per_atom": -8.066083022291666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -368.70798507,
"band_gap": 1.3741000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0192,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.596000Z",
"spacegroup": 62
},
{
"id": "mp-31451",
"created_at": "2022-09-04T14:47:34.231615Z",
"structure_string": "Zr1 Co1 Bi1\n1.0\n0.000000 3.118434 3.118434\n3.118434 0.000000 3.118434\n3.118434 3.118434 0.000000\nZr Co Bi\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Bi"
],
"chemical_system": "Bi-Co-Zr",
"density": 9.83264367851283,
"density_atomic": 0.04946312927394143,
"volume": 60.65123747802355,
"volume_molar": 12.17500964536151,
"formula_full": "Zr1 Co1 Bi1",
"formula_reduced": "ZrCoBi",
"formula_anonymous": "ABC",
"energy": -20.80899668,
"energy_per_atom": -6.936332226666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.80899668,
"band_gap": 0.9771999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.74e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.406000Z",
"spacegroup": 216
},
{
"id": "mp-555485",
"created_at": "2022-09-04T14:47:34.256586Z",
"structure_string": "Rb8 Gd4 Ga4 Si16 O48\n1.0\n3.704592 13.651683 0.000000\n-3.704592 13.651683 0.000000\n0.000000 8.279808 12.605425\nRb Gd Ga Si O\n8 4 4 16 48\ndirect\n0.688586 0.695067 0.033865 Rb\n0.311414 0.304933 0.966135 Rb\n0.304933 0.311414 0.466135 Rb\n0.695067 0.688586 0.533865 Rb\n0.227785 0.702655 0.952862 Rb\n0.297345 0.772215 0.547138 Rb\n0.772215 0.297345 0.047138 Rb\n0.702655 0.227785 0.452862 Rb\n0.486163 0.051516 0.750019 Gd\n0.513837 0.948484 0.249981 Gd\n0.948484 0.513837 0.749981 Gd\n0.051516 0.486163 0.250019 Gd\n0.628959 0.231195 0.726238 Ga\n0.231195 0.628959 0.226238 Ga\n0.371041 0.768805 0.273762 Ga\n0.768805 0.371041 0.773762 Ga\n0.760585 0.478311 0.339076 Si\n0.239415 0.521689 0.660924 Si\n0.195393 0.139585 0.491241 Si\n0.832589 0.291863 0.577337 Si\n0.708137 0.167411 0.922663 Si\n0.861556 0.814327 0.795337 Si\n0.167411 0.708137 0.422663 Si\n0.804607 0.860415 0.508759 Si\n0.478311 0.760585 0.839076 Si\n0.138444 0.185673 0.204663 Si\n0.521689 0.239415 0.160924 Si\n0.814327 0.861556 0.295337 Si\n0.860415 0.804607 0.008759 Si\n0.291863 0.832589 0.077337 Si\n0.185673 0.138444 0.704663 Si\n0.139585 0.195393 0.991241 Si\n0.652345 0.922939 0.074614 O\n0.347655 0.077061 0.925386 O\n0.562021 0.255780 0.032267 O\n0.081357 0.269109 0.089846 O\n0.269109 0.081357 0.589846 O\n0.585425 0.560887 0.332753 O\n0.610339 0.764065 0.774582 O\n0.730838 0.043483 0.200629 O\n0.918643 0.730891 0.910154 O\n0.967334 0.378640 0.924229 O\n0.429606 0.707052 0.157276 O\n0.560887 0.585425 0.832753 O\n0.058448 0.136388 0.555888 O\n0.956517 0.269162 0.299371 O\n0.744220 0.437979 0.467733 O\n0.202505 0.242305 0.201609 O\n0.621360 0.032666 0.575771 O\n0.269162 0.956517 0.799371 O\n0.764065 0.610339 0.274582 O\n0.730891 0.918643 0.410154 O\n0.047529 0.671447 0.270104 O\n0.032666 0.621360 0.075771 O\n0.169744 0.819099 0.121411 O\n0.707052 0.429606 0.657276 O\n0.414575 0.439113 0.667247 O\n0.180901 0.830256 0.378589 O\n0.671447 0.047529 0.770104 O\n0.757695 0.797495 0.298391 O\n0.830256 0.180901 0.878589 O\n0.439113 0.414575 0.167247 O\n0.077061 0.347655 0.425386 O\n0.922939 0.652345 0.574614 O\n0.235935 0.389661 0.725418 O\n0.570394 0.292948 0.842724 O\n0.389661 0.235935 0.225418 O\n0.941552 0.863612 0.444112 O\n0.255780 0.562021 0.532267 O\n0.328553 0.952471 0.229896 O\n0.378640 0.967334 0.424229 O\n0.292948 0.570394 0.342724 O\n0.819099 0.169744 0.621411 O\n0.797495 0.757695 0.798391 O\n0.136388 0.058448 0.055888 O\n0.863612 0.941552 0.944112 O\n0.437979 0.744220 0.967733 O\n0.043483 0.730838 0.700629 O\n0.952471 0.328553 0.729896 O\n0.242305 0.202505 0.701609 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Rb",
"Gd",
"Ga",
"Si",
"O"
],
"chemical_system": "Ga-Gd-O-Rb-Si",
"density": 3.658328385811458,
"density_atomic": 0.06274453698895174,
"volume": 1275.0114008186347,
"volume_molar": 9.597872657918247,
"formula_full": "Rb8 Gd4 Ga4 Si16 O48",
"formula_reduced": "Rb2GdGa(SiO3)4",
"formula_anonymous": "ABC2D4E12",
"energy": -651.12169178,
"energy_per_atom": -8.13902114725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -618.14569178,
"band_gap": 3.3463,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 28.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.046000Z",
"spacegroup": 15
},
{
"id": "mp-568643",
"created_at": "2022-09-04T14:47:34.284475Z",
"structure_string": "Rb2 C16\n1.0\n0.000000 4.309365 11.490352\n2.486643 0.000000 11.490352\n2.486643 4.309365 0.000000\nRb C\n2 16\ndirect\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n0.791662 0.458305 0.541471 C\n0.541471 0.208562 0.791662 C\n0.458305 0.791662 0.208562 C\n0.791695 0.458338 0.041438 C\n0.957156 0.290702 0.709581 C\n0.042561 0.709581 0.290702 C\n0.708529 0.041438 0.458338 C\n0.292844 0.959298 0.540419 C\n0.959298 0.292844 0.207439 C\n0.207439 0.540419 0.959298 C\n0.041438 0.708529 0.791695 C\n0.458338 0.791695 0.708529 C\n0.208562 0.541471 0.458305 C\n0.290702 0.957156 0.042561 C\n0.540419 0.207439 0.292844 C\n0.709581 0.042561 0.957156 C\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Rb",
"C"
],
"chemical_system": "C-Rb",
"density": 2.4484623556758898,
"density_atomic": 0.07309412250546259,
"volume": 246.2578300827785,
"volume_molar": 8.23888508894808,
"formula_full": "Rb2 C16",
"formula_reduced": "RbC8",
"formula_anonymous": "AB8",
"energy": -150.35278035,
"energy_per_atom": -8.352932241666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.35278035,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.025321,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.172000Z",
"spacegroup": 70
},
{
"id": "mp-23508",
"created_at": "2022-09-04T14:47:34.372734Z",
"structure_string": "Rb4 Cu2 Cl8\n1.0\n3.593462 -7.941117 0.000000\n3.593462 7.941117 0.000000\n0.000000 0.000000 7.192604\nRb Cu Cl\n4 2 8\ndirect\n0.139308 0.860692 0.500000 Rb\n0.639308 0.360692 0.000000 Rb\n0.360692 0.639308 0.000000 Rb\n0.860692 0.139308 0.500000 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.849749 0.150251 0.000000 Cl\n0.650251 0.349749 0.500000 Cl\n0.150251 0.849749 0.000000 Cl\n0.226562 0.226562 0.774806 Cl\n0.349749 0.650251 0.500000 Cl\n0.273438 0.273438 0.274806 Cl\n0.726562 0.726562 0.725194 Cl\n0.773438 0.773438 0.225194 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Rb",
"density": 3.0443538362020464,
"density_atomic": 0.03410493596445241,
"volume": 410.49776532617466,
"volume_molar": 17.657680888997653,
"formula_full": "Rb4 Cu2 Cl8",
"formula_reduced": "Rb2CuCl4",
"formula_anonymous": "AB2C4",
"energy": -50.63495021,
"energy_per_atom": -3.6167821578571426,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.72295021,
"band_gap": 0.0631,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9993863,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.504000Z",
"spacegroup": 64
},
{
"id": "mp-1197032",
"created_at": "2022-09-04T14:47:34.029805Z",
"structure_string": "Ag28 P4 S24\n1.0\n10.531028 0.000000 0.000000\n0.000000 10.531028 0.000000\n0.000000 0.000000 10.531028\nAg P S\n28 4 24\ndirect\n0.233383 0.926578 0.902503 Ag\n0.097497 0.733383 0.573422 Ag\n0.426578 0.597497 0.766617 Ag\n0.733383 0.573422 0.097497 Ag\n0.597497 0.766617 0.426578 Ag\n0.926578 0.902503 0.233383 Ag\n0.766617 0.426578 0.597497 Ag\n0.902503 0.233383 0.926578 Ag\n0.573422 0.097497 0.733383 Ag\n0.266617 0.073422 0.402503 Ag\n0.402503 0.266617 0.073422 Ag\n0.073422 0.402503 0.266617 Ag\n0.007742 0.772735 0.984096 Ag\n0.015904 0.507742 0.727265 Ag\n0.272735 0.515904 0.992258 Ag\n0.507742 0.727265 0.015904 Ag\n0.515904 0.992258 0.272735 Ag\n0.772735 0.984096 0.007742 Ag\n0.992258 0.272735 0.515904 Ag\n0.984096 0.007742 0.772735 Ag\n0.727265 0.015904 0.507742 Ag\n0.492258 0.227265 0.484096 Ag\n0.484096 0.492258 0.227265 Ag\n0.227265 0.484096 0.492258 Ag\n0.351958 0.851958 0.648042 Ag\n0.851958 0.648042 0.351958 Ag\n0.648042 0.351958 0.851958 Ag\n0.148042 0.148042 0.148042 Ag\n0.751380 0.251380 0.248620 P\n0.251380 0.248620 0.751380 P\n0.248620 0.751380 0.251380 P\n0.748620 0.748620 0.748620 P\n0.865357 0.365357 0.134643 S\n0.365357 0.134643 0.865357 S\n0.134643 0.865357 0.365357 S\n0.634643 0.634643 0.634643 S\n0.354587 0.868343 0.133092 S\n0.866908 0.854587 0.631657 S\n0.368343 0.366908 0.645413 S\n0.854587 0.631657 0.866908 S\n0.366908 0.645413 0.368343 S\n0.868343 0.133092 0.354587 S\n0.645413 0.368343 0.366908 S\n0.133092 0.354587 0.868343 S\n0.631657 0.866908 0.854587 S\n0.145413 0.131657 0.633092 S\n0.633092 0.145413 0.131657 S\n0.131657 0.633092 0.145413 S\n0.219230 0.719230 0.780770 S\n0.719230 0.780770 0.219230 S\n0.780770 0.219230 0.719230 S\n0.280770 0.280770 0.280770 S\n0.485340 0.985340 0.514660 S\n0.985340 0.514660 0.485340 S\n0.514660 0.485340 0.985340 S\n0.014660 0.014660 0.014660 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Ag",
"P",
"S"
],
"chemical_system": "Ag-P-S",
"density": 5.564568604235669,
"density_atomic": 0.04794857718889619,
"volume": 1167.9178670804927,
"volume_molar": 12.559581770853029,
"formula_full": "Ag28 P4 S24",
"formula_reduced": "Ag7PS6",
"formula_anonymous": "AB6C7",
"energy": -219.30051979,
"energy_per_atom": -3.9160807105357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.22851979,
"band_gap": 0.9116,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002278,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.048000Z",
"spacegroup": 198
},
{
"id": "mp-28870",
"created_at": "2022-09-04T14:47:34.127407Z",
"structure_string": "P6 Rh6 O24\n1.0\n-3.238794 5.281405 6.663621\n3.238794 -5.281405 6.663621\n3.238794 5.281405 -6.663621\nP Rh O\n6 6 24\ndirect\n0.174244 0.674244 0.000000 P\n0.325756 0.325756 0.500000 P\n0.825756 0.325756 0.000000 P\n0.674244 0.674244 0.500000 P\n0.750000 0.830787 0.080787 P\n0.250000 0.169213 0.919213 P\n0.118973 0.118973 0.500000 Rh\n0.381027 0.881027 0.000000 Rh\n0.881027 0.881027 0.500000 Rh\n0.618973 0.118973 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.143986 0.783295 0.913870 O\n0.356014 0.269884 0.639310 O\n0.130575 0.216705 0.360690 O\n0.369425 0.730116 0.086130 O\n0.856014 0.216705 0.086130 O\n0.643986 0.730116 0.360690 O\n0.869425 0.783295 0.639310 O\n0.630575 0.269884 0.913870 O\n0.914913 0.577323 0.214754 O\n0.585087 0.799841 0.662410 O\n0.637431 0.422677 0.337590 O\n0.862569 0.200159 0.785246 O\n0.154038 0.202537 0.048499 O\n0.345962 0.394461 0.048499 O\n0.845962 0.797463 0.951501 O\n0.654038 0.605539 0.951501 O\n0.628173 0.976928 0.105101 O\n0.871827 0.976928 0.348754 O\n0.128173 0.023072 0.651246 O\n0.371827 0.023072 0.894899 O\n0.137431 0.799841 0.214754 O\n0.362569 0.577323 0.662410 O\n0.414913 0.200159 0.337590 O\n0.085087 0.422677 0.785246 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"P",
"Rh",
"O"
],
"chemical_system": "O-P-Rh",
"density": 4.324065705597544,
"density_atomic": 0.07895859701958295,
"volume": 455.9351528380304,
"volume_molar": 7.626960188396479,
"formula_full": "P6 Rh6 O24",
"formula_reduced": "PRhO4",
"formula_anonymous": "ABC4",
"energy": -266.28736884,
"energy_per_atom": -7.396871356666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.79936884,
"band_gap": 0.9836,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002697,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.708000Z",
"spacegroup": 74
},
{
"id": "mp-768070",
"created_at": "2022-09-04T14:47:34.134783Z",
"structure_string": "Na8 Ni4 P4 C4 O28\n1.0\n6.666401 0.000000 0.000000\n-0.042951 10.098392 0.000000\n-0.043519 -5.030255 8.991314\nNa Ni P C O\n8 4 4 4 28\ndirect\n0.481774 0.267096 0.259881 Na\n0.017044 0.266356 0.260603 Na\n0.989850 0.742339 0.253606 Na\n0.513099 0.740829 0.250125 Na\n0.736357 0.911534 0.055333 Na\n0.010486 0.255267 0.749555 Na\n0.487833 0.254813 0.749649 Na\n0.979766 0.733939 0.734284 Na\n0.750738 0.347396 0.064121 Ni\n0.255713 0.654111 0.439119 Ni\n0.749661 0.347449 0.561176 Ni\n0.253676 0.655174 0.935625 Ni\n0.249955 0.420493 0.070078 P\n0.751110 0.580782 0.430103 P\n0.250967 0.423379 0.573118 P\n0.749935 0.579760 0.933858 P\n0.247381 0.931075 0.109884 C\n0.250700 0.928282 0.607905 C\n0.749807 0.068199 0.387765 C\n0.752467 0.072228 0.891889 C\n0.748335 0.135222 0.037590 O\n0.063677 0.323754 0.057108 O\n0.436730 0.326224 0.058581 O\n0.752566 0.426121 0.282995 O\n0.250345 0.460386 0.441334 O\n0.757450 0.541810 0.065302 O\n0.249697 0.573586 0.218105 O\n0.938587 0.677250 0.443834 O\n0.565006 0.672745 0.436670 O\n0.250338 0.830106 0.154376 O\n0.249656 0.828980 0.652958 O\n0.254776 0.866890 0.463636 O\n0.751945 0.926123 0.299984 O\n0.759749 0.931468 0.812574 O\n0.247702 0.071676 0.197846 O\n0.248018 0.068852 0.693141 O\n0.749344 0.129607 0.530905 O\n0.747789 0.163570 0.336482 O\n0.749034 0.169785 0.844227 O\n0.064637 0.323085 0.553738 O\n0.437018 0.326983 0.558244 O\n0.748470 0.429346 0.786415 O\n0.248878 0.458215 0.939367 O\n0.755889 0.540368 0.557755 O\n0.243940 0.573968 0.719726 O\n0.563240 0.678979 0.960044 O\n0.932966 0.681690 0.949376 O\n0.246052 0.872388 0.966883 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Na-Ni-O-P",
"density": 2.8492853509750686,
"density_atomic": 0.07930022391975518,
"volume": 605.2946338281688,
"volume_molar": 7.594103096220604,
"formula_full": "Na8 Ni4 P4 C4 O28",
"formula_reduced": "Na2NiPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -330.55794641,
"energy_per_atom": -6.886623883541667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.15794641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2050222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.445000Z",
"spacegroup": 1
},
{
"id": "mp-974059",
"created_at": "2022-09-04T14:47:34.182114Z",
"structure_string": "Li1 Dy1 In2\n1.0\n0.000000 3.634214 3.634214\n3.634214 0.000000 3.634214\n3.634214 3.634214 0.000000\nLi Dy In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Dy",
"In"
],
"chemical_system": "Dy-In-Li",
"density": 6.903102299499409,
"density_atomic": 0.04166760173363168,
"volume": 95.99784565405959,
"volume_molar": 14.452813479637527,
"formula_full": "Li1 Dy1 In2",
"formula_reduced": "LiDyIn2",
"formula_anonymous": "ABC2",
"energy": -13.52194776,
"energy_per_atom": -3.38048694,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.52194776,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.62e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.686000Z",
"spacegroup": 225
},
{
"id": "mp-1218848",
"created_at": "2022-09-04T14:47:34.285223Z",
"structure_string": "Sr16 Cu2 W6 O36\n1.0\n5.960109 0.000000 0.000000\n-0.002901 10.417041 0.000000\n-2.961161 -5.193681 14.640847\nSr Cu W O\n16 2 6 36\ndirect\n0.535824 0.845314 0.066443 Sr\n0.874771 0.856288 0.746064 Sr\n0.203777 0.849078 0.419962 Sr\n0.453358 0.056046 0.900202 Sr\n0.784463 0.043214 0.565638 Sr\n0.115399 0.086979 0.240376 Sr\n0.961266 0.642223 0.907410 Sr\n0.294441 0.651158 0.593746 Sr\n0.624539 0.652231 0.266331 Sr\n0.044062 0.338776 0.073254 Sr\n0.361962 0.337892 0.740407 Sr\n0.710803 0.344819 0.412736 Sr\n0.079320 0.735717 0.161627 Sr\n0.252723 0.247866 0.500966 Sr\n0.583566 0.252475 0.165603 Sr\n0.914500 0.252603 0.834009 Sr\n0.405780 0.674891 0.815559 Cu\n0.735704 0.674368 0.488096 Cu\n0.507658 0.502341 0.998402 W\n0.829905 0.506810 0.668347 W\n0.164859 0.503176 0.338088 W\n0.663523 0.003270 0.332848 W\n0.002980 0.999510 0.998815 W\n0.335632 0.995676 0.666603 W\n0.411082 0.636752 0.104691 O\n0.682671 0.642286 0.767001 O\n0.022073 0.621628 0.444708 O\n0.783101 0.625596 0.031776 O\n0.114685 0.642218 0.727766 O\n0.451761 0.636987 0.396290 O\n0.379813 0.632442 0.922325 O\n0.733234 0.639042 0.601411 O\n0.048087 0.636825 0.279650 O\n0.606908 0.391597 0.890716 O\n0.970442 0.408554 0.571297 O\n0.301104 0.414344 0.235276 O\n0.203323 0.414274 0.960823 O\n0.541602 0.408775 0.625526 O\n0.887849 0.391914 0.292422 O\n0.637564 0.399044 0.071960 O\n0.954227 0.415659 0.750821 O\n0.301603 0.400596 0.412537 O\n0.562916 0.122103 0.442616 O\n0.887730 0.124454 0.104746 O\n0.215350 0.118023 0.770592 O\n0.947417 0.123861 0.376351 O\n0.284424 0.124381 0.041559 O\n0.616125 0.118848 0.707119 O\n0.202417 0.113494 0.595341 O\n0.533773 0.129471 0.269538 O\n0.874610 0.119443 0.930254 O\n0.137831 0.887961 0.900303 O\n0.469563 0.880974 0.566749 O\n0.787956 0.895679 0.227250 O\n0.721001 0.888005 0.951272 O\n0.052194 0.881110 0.617846 O\n0.371878 0.893486 0.290008 O\n0.452685 0.887644 0.741271 O\n0.784389 0.884796 0.400660 O\n0.125794 0.895013 0.077996 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"W",
"O"
],
"chemical_system": "Cu-O-Sr-W",
"density": 5.860339748092362,
"density_atomic": 0.06600646467059271,
"volume": 909.0018727624915,
"volume_molar": 9.123562048132223,
"formula_full": "Sr16 Cu2 W6 O36",
"formula_reduced": "Sr8Cu(WO6)3",
"formula_anonymous": "AB3C8D18",
"energy": -458.34184357,
"energy_per_atom": -7.639030726166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -406.98184357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0054094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.394000Z",
"spacegroup": 1
},
{
"id": "mp-1097141",
"created_at": "2022-09-04T14:47:34.618220Z",
"structure_string": "Fe1 Sn1 Rh2\n1.0\n-4.764817 5.513684 7.771700\n4.764817 -5.513684 7.771700\n4.764817 5.513684 -7.771700\nFe Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Sn\n0.000000 0.237425 0.237425 Rh\n0.000000 0.762575 0.762575 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Sn",
"Rh"
],
"chemical_system": "Fe-Rh-Sn",
"density": 0.7733688403752439,
"density_atomic": 0.004897741667496218,
"volume": 816.7029360788738,
"volume_molar": 122.95750100430651,
"formula_full": "Fe1 Sn1 Rh2",
"formula_reduced": "FeSnRh2",
"formula_anonymous": "ABC2",
"energy": -17.22601368,
"energy_per_atom": -4.30650342,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.22601368,
"band_gap": 0.2374,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9995855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.939000Z",
"spacegroup": 71
}
]
}