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"results": [
{
"id": "mp-1213288",
"created_at": "2022-09-04T14:43:36.436582Z",
"structure_string": "Dy10 In8 Pt4\n1.0\n0.000000 0.000000 3.622087\n8.187949 0.000000 0.000000\n0.000000 18.362435 0.000000\nDy In Pt\n10 8 4\ndirect\n0.000000 0.115639 0.413757 Dy\n0.000000 0.884361 0.586243 Dy\n0.000000 0.384361 0.913757 Dy\n0.000000 0.615639 0.086243 Dy\n0.000000 0.244457 0.220262 Dy\n0.000000 0.755543 0.779738 Dy\n0.000000 0.255543 0.720262 Dy\n0.000000 0.744457 0.279738 Dy\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.426146 0.351307 In\n0.500000 0.573854 0.648693 In\n0.500000 0.073854 0.851307 In\n0.500000 0.926146 0.148693 In\n0.500000 0.291996 0.067417 In\n0.500000 0.708004 0.932583 In\n0.500000 0.208004 0.567417 In\n0.500000 0.791996 0.432583 In\n0.500000 0.025305 0.302981 Pt\n0.500000 0.974695 0.697019 Pt\n0.500000 0.474695 0.802981 Pt\n0.500000 0.525305 0.197019 Pt\n",
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"volume": 544.5832481627148,
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"formula_full": "Dy10 In8 Pt4",
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"band_gap": 0.0,
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"total_magnetization": 2.53e-05,
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"updated_at": "2021-11-28T01:36:26.716000Z",
"spacegroup": 55
},
{
"id": "mp-35138",
"created_at": "2022-09-04T14:43:36.445974Z",
"structure_string": "Tl8 Te6 Mo2\n1.0\n-4.309846 4.309846 6.714098\n4.309846 -4.309846 6.714098\n4.309846 4.309846 -6.714098\nTl Te Mo\n8 6 2\ndirect\n0.194072 0.694072 0.210940 Tl\n0.983132 0.194072 0.500000 Tl\n0.694072 0.483132 0.500000 Tl\n0.516868 0.016868 0.210940 Tl\n0.483132 0.983132 0.789060 Tl\n0.305928 0.516868 0.500000 Tl\n0.016868 0.805928 0.500000 Tl\n0.805928 0.305928 0.789060 Tl\n0.827485 0.327485 0.154970 Te\n0.250000 0.250000 0.000000 Te\n0.672515 0.827485 0.500000 Te\n0.327485 0.172515 0.500000 Te\n0.750000 0.750000 0.000000 Te\n0.172515 0.672515 0.845030 Te\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Te",
"Mo"
],
"chemical_system": "Mo-Te-Tl",
"density": 8.629874175719456,
"density_atomic": 0.03207368140927784,
"volume": 498.85137274487414,
"volume_molar": 18.775957406180375,
"formula_full": "Tl8 Te6 Mo2",
"formula_reduced": "Tl4Te3Mo",
"formula_anonymous": "AB3C4",
"energy": -60.52726209,
"energy_per_atom": -3.782953880625,
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"energy_uncorrected": -57.99526209,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.0019901,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.878000Z",
"spacegroup": 140
},
{
"id": "mp-556533",
"created_at": "2022-09-04T14:43:36.462483Z",
"structure_string": "Sr4 V6 Bi2 O22\n1.0\n7.094651 0.000000 0.000000\n-0.360474 7.120650 0.000000\n-1.072972 -1.721243 10.178493\nSr V Bi O\n4 6 2 22\ndirect\n0.649919 0.251431 0.979379 Sr\n0.350081 0.748569 0.020621 Sr\n0.340431 0.388378 0.636817 Sr\n0.659569 0.611622 0.363183 Sr\n0.640529 0.111245 0.335481 V\n0.359471 0.888755 0.664519 V\n0.159549 0.235667 0.961900 V\n0.840451 0.764333 0.038100 V\n0.132836 0.427439 0.264759 V\n0.867164 0.572561 0.735241 V\n0.849270 0.071449 0.640410 Bi\n0.150730 0.928551 0.359590 Bi\n0.991260 0.394385 0.654732 O\n0.008740 0.605615 0.345268 O\n0.028474 0.340158 0.095662 O\n0.971526 0.659842 0.904338 O\n0.419299 0.746716 0.525670 O\n0.580701 0.253284 0.474330 O\n0.699968 0.262158 0.232229 O\n0.300032 0.737842 0.767771 O\n0.970562 0.121168 0.850793 O\n0.029438 0.878832 0.149207 O\n0.681212 0.913417 0.988211 O\n0.318788 0.086583 0.011789 O\n0.542460 0.059608 0.734856 O\n0.457540 0.940392 0.265144 O\n0.167386 0.025898 0.604611 O\n0.832614 0.974102 0.395389 O\n0.299893 0.397395 0.902430 O\n0.700107 0.602605 0.097570 O\n0.661414 0.460762 0.761543 O\n0.338586 0.539238 0.238457 O\n0.825854 0.743740 0.634908 O\n0.174146 0.256260 0.365092 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
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"V",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr-V",
"density": 4.605298584330192,
"density_atomic": 0.06612181386977933,
"volume": 514.2024698076158,
"volume_molar": 9.107646036238567,
"formula_full": "Sr4 V6 Bi2 O22",
"formula_reduced": "Sr2V3BiO11",
"formula_anonymous": "AB2C3D11",
"energy": -267.86918425,
"energy_per_atom": -7.878505419117647,
"energy_above_hull": null,
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"energy_uncorrected": -242.55518425,
"band_gap": 2.781,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.77e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.753000Z",
"spacegroup": 2
},
{
"id": "mp-1521837",
"created_at": "2022-09-04T14:43:36.612424Z",
"structure_string": "Sr1 La1 Dy1 Sn1 O6\n1.0\n0.000000 -4.221837 -4.221837\n4.221837 0.000000 -4.221837\n4.221837 -4.221837 0.000000\nSr La Dy Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sn\n0.742075 0.257925 0.257925 O\n0.257925 0.742075 0.742075 O\n0.742075 0.257925 0.742075 O\n0.257925 0.742075 0.257925 O\n0.742075 0.742075 0.257925 O\n0.257925 0.257925 0.742075 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"La",
"Dy",
"Sn",
"O"
],
"chemical_system": "Dy-La-O-Sn-Sr",
"density": 6.661297326699111,
"density_atomic": 0.06644550694243907,
"volume": 150.49926564128523,
"volume_molar": 9.063277619684513,
"formula_full": "Sr1 La1 Dy1 Sn1 O6",
"formula_reduced": "SrLaDySnO6",
"formula_anonymous": "ABCDE6",
"energy": -75.94676338,
"energy_per_atom": -7.594676337999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -71.82476338,
"band_gap": 1.3247,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.568000Z",
"spacegroup": 216
},
{
"id": "mp-1093737",
"created_at": "2022-09-04T14:43:36.627142Z",
"structure_string": "Hf2 Co1 Rh1\n1.0\n-4.560044 5.523431 7.798961\n4.560044 -5.523431 7.798961\n4.560044 5.523431 -7.798961\nHf Co Rh\n2 1 1\ndirect\n0.000000 0.242558 0.242558 Hf\n0.000000 0.757442 0.757442 Hf\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
"Hf",
"Co",
"Rh"
],
"chemical_system": "Co-Hf-Rh",
"density": 1.096452969904275,
"density_atomic": 0.0050907912050204285,
"volume": 785.7324802587241,
"volume_molar": 118.29478989554894,
"formula_full": "Hf2 Co1 Rh1",
"formula_reduced": "Hf2CoRh",
"formula_anonymous": "ABC2",
"energy": -22.91109793,
"energy_per_atom": -5.7277744825,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -22.91109793,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.000188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.008000Z",
"spacegroup": 71
},
{
"id": "mp-28741",
"created_at": "2022-09-04T14:43:36.777409Z",
"structure_string": "Cu4 Se12 Br4\n1.0\n4.987981 0.000000 0.000000\n0.000000 7.586638 0.000000\n0.000000 0.000000 14.478317\nCu Se Br\n4 12 4\ndirect\n0.791728 0.750000 0.750000 Cu\n0.208272 0.250000 0.750000 Cu\n0.208272 0.250000 0.250000 Cu\n0.791728 0.750000 0.250000 Cu\n0.073667 0.655001 0.126351 Se\n0.926333 0.155001 0.626351 Se\n0.073667 0.844999 0.626351 Se\n0.817304 0.734557 0.500000 Se\n0.182696 0.234557 0.000000 Se\n0.817304 0.765443 0.000000 Se\n0.926333 0.155001 0.373649 Se\n0.182696 0.265443 0.500000 Se\n0.926333 0.344999 0.873649 Se\n0.073667 0.844999 0.373649 Se\n0.073667 0.655001 0.873649 Se\n0.926333 0.344999 0.126351 Se\n0.500000 0.000000 0.191508 Br\n0.500000 0.500000 0.308492 Br\n0.500000 0.000000 0.808492 Br\n0.500000 0.500000 0.691508 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cu",
"Se",
"Br"
],
"chemical_system": "Br-Cu-Se",
"density": 4.610812252034261,
"density_atomic": 0.03650377357725999,
"volume": 547.8885616488425,
"volume_molar": 16.497310195216336,
"formula_full": "Cu4 Se12 Br4",
"formula_reduced": "CuSe3Br",
"formula_anonymous": "ABC3",
"energy": -75.61228002,
"energy_per_atom": -3.780614001,
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"updated_at": "2021-11-28T01:36:19.280000Z",
"spacegroup": 53
},
{
"id": "mp-607711",
"created_at": "2022-09-04T14:43:37.231857Z",
"structure_string": "Nd4 N4 O16\n1.0\n5.453552 0.000000 0.000000\n0.000000 7.352033 0.000000\n0.000000 0.000000 9.539464\nNd N O\n4 4 16\ndirect\n0.750000 0.710292 0.841956 Nd\n0.250000 0.289708 0.158044 Nd\n0.250000 0.789708 0.341956 Nd\n0.750000 0.210292 0.658044 Nd\n0.750000 0.204543 0.341663 N\n0.250000 0.295457 0.841663 N\n0.250000 0.795457 0.658337 N\n0.750000 0.704543 0.158337 N\n0.750000 0.997909 0.814851 O\n0.250000 0.502091 0.314851 O\n0.951018 0.677289 0.094217 O\n0.048982 0.322711 0.905783 O\n0.750000 0.260514 0.215951 O\n0.048982 0.822711 0.594217 O\n0.548982 0.177289 0.405783 O\n0.750000 0.760514 0.284049 O\n0.451018 0.822711 0.594217 O\n0.250000 0.002091 0.185149 O\n0.451018 0.322711 0.905783 O\n0.548982 0.677289 0.094217 O\n0.750000 0.497909 0.685149 O\n0.250000 0.239486 0.715951 O\n0.951018 0.177289 0.405783 O\n0.250000 0.739486 0.784049 O\n",
"nsites": 24,
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"elements": [
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"N",
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],
"chemical_system": "N-Nd-O",
"density": 3.859515137378565,
"density_atomic": 0.06274806850960377,
"volume": 382.4818925912713,
"volume_molar": 9.597332480565987,
"formula_full": "Nd4 N4 O16",
"formula_reduced": "NdNO4",
"formula_anonymous": "ABC4",
"energy": -178.117502,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:13.283000Z",
"spacegroup": 62
},
{
"id": "mp-581920",
"created_at": "2022-09-04T14:43:36.196523Z",
"structure_string": "La26 Cd116\n1.0\n16.143752 0.000000 0.000000\n-8.071876 13.980900 0.000000\n0.000000 0.000000 15.765297\nLa Cd\n26 116\ndirect\n0.411287 0.205644 0.551826 La\n0.872255 0.744510 0.250000 La\n0.205644 0.411287 0.051826 La\n0.084575 0.542287 0.750000 La\n0.794356 0.588713 0.948174 La\n0.794356 0.205644 0.551826 La\n0.915425 0.457713 0.250000 La\n0.794356 0.205644 0.948174 La\n0.794356 0.588713 0.551826 La\n0.457713 0.915425 0.750000 La\n0.127745 0.872255 0.750000 La\n0.872255 0.127745 0.250000 La\n0.588713 0.794356 0.051826 La\n0.588713 0.794356 0.448174 La\n0.205644 0.794356 0.448174 La\n0.000000 0.000000 0.000000 La\n0.457713 0.542287 0.750000 La\n0.542287 0.084575 0.250000 La\n0.127745 0.255490 0.750000 La\n0.744510 0.872255 0.750000 La\n0.205644 0.411287 0.448174 La\n0.411287 0.205644 0.948174 La\n0.000000 0.000000 0.500000 La\n0.255490 0.127745 0.250000 La\n0.205644 0.794356 0.051826 La\n0.542287 0.457713 0.250000 La\n0.905806 0.094194 0.656155 Cd\n0.000000 0.199850 0.000000 Cd\n0.634795 0.964185 0.602777 Cd\n0.365205 0.329390 0.397223 Cd\n0.670610 0.634795 0.102777 Cd\n0.600527 0.399473 0.053063 Cd\n0.634795 0.670610 0.897223 Cd\n0.964185 0.634795 0.102777 Cd\n0.201055 0.600527 0.946937 Cd\n0.094194 0.905806 0.343845 Cd\n0.562493 0.124986 0.643495 Cd\n0.811611 0.905806 0.343845 Cd\n0.731601 0.268399 0.750000 Cd\n0.437507 0.875014 0.356505 Cd\n0.329390 0.365205 0.897223 Cd\n0.035815 0.670610 0.897223 Cd\n0.529851 0.764925 0.841446 Cd\n0.800150 0.800150 0.000000 Cd\n0.365205 0.035815 0.397223 Cd\n0.000000 0.199850 0.500000 Cd\n0.917378 0.637519 0.750000 Cd\n0.199850 0.199850 0.500000 Cd\n0.670610 0.035815 0.102777 Cd\n0.600527 0.399473 0.446937 Cd\n0.764925 0.529851 0.341446 Cd\n0.764925 0.529851 0.158554 Cd\n0.964185 0.329390 0.102777 Cd\n0.666667 0.333333 0.594205 Cd\n0.279859 0.917378 0.250000 Cd\n0.470149 0.235075 0.341446 Cd\n0.035815 0.365205 0.602777 Cd\n0.333333 0.666667 0.750000 Cd\n0.720141 0.082622 0.750000 Cd\n0.035815 0.365205 0.897223 Cd\n0.800150 0.000000 0.500000 Cd\n0.600527 0.201055 0.446937 Cd\n0.670610 0.035815 0.397223 Cd\n0.362481 0.082622 0.750000 Cd\n0.917378 0.279859 0.750000 Cd\n1.000000 0.800150 0.000000 Cd\n0.437507 0.562493 0.143495 Cd\n0.124986 0.562493 0.356505 Cd\n0.500000 0.000000 0.500000 Cd\n0.905806 0.811611 0.843845 Cd\n0.094194 0.188389 0.156155 Cd\n0.035815 0.670610 0.602777 Cd\n0.329390 0.365205 0.602777 Cd\n0.562493 0.124986 0.856505 Cd\n0.201055 0.600527 0.553063 Cd\n0.634795 0.670610 0.602777 Cd\n0.437507 0.562493 0.356505 Cd\n0.000000 0.000000 0.250000 Cd\n0.600527 0.201055 0.053063 Cd\n0.798945 0.399473 0.446937 Cd\n0.731601 0.463202 0.750000 Cd\n0.399473 0.798945 0.946937 Cd\n0.666667 0.333333 0.905795 Cd\n0.235075 0.470149 0.841446 Cd\n0.764925 0.235075 0.158554 Cd\n0.279859 0.362481 0.250000 Cd\n0.399473 0.600527 0.553063 Cd\n0.365205 0.035815 0.102777 Cd\n0.764925 0.235075 0.341446 Cd\n0.811611 0.905806 0.156155 Cd\n0.329390 0.964185 0.897223 Cd\n0.875014 0.437507 0.856505 Cd\n0.905806 0.811611 0.656155 Cd\n0.124986 0.562493 0.143495 Cd\n0.964185 0.329390 0.397223 Cd\n0.637519 0.720141 0.250000 Cd\n0.562493 0.437507 0.856505 Cd\n0.470149 0.235075 0.158554 Cd\n0.800150 0.800150 0.500000 Cd\n0.000000 0.000000 0.750000 Cd\n0.188389 0.094194 0.656155 Cd\n0.199850 0.199850 0.000000 Cd\n0.199850 0.000000 0.500000 Cd\n0.082622 0.362481 0.250000 Cd\n0.670610 0.634795 0.397223 Cd\n0.529851 0.764925 0.658554 Cd\n0.798945 0.399473 0.053063 Cd\n0.365205 0.329390 0.102777 Cd\n0.235075 0.764925 0.841446 Cd\n0.666667 0.333333 0.250000 Cd\n0.437507 0.875014 0.143495 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.235075 0.764925 0.658554 Cd\n0.333333 0.666667 0.405795 Cd\n0.199850 0.000000 0.000000 Cd\n0.082622 0.720141 0.250000 Cd\n1.000000 0.800150 0.500000 Cd\n0.634795 0.964185 0.897223 Cd\n0.500000 0.500000 0.500000 Cd\n0.188389 0.094194 0.843845 Cd\n0.536798 0.268399 0.750000 Cd\n0.094194 0.905806 0.156155 Cd\n0.905806 0.094194 0.843845 Cd\n0.562493 0.437507 0.643495 Cd\n0.362481 0.279859 0.750000 Cd\n0.268399 0.731601 0.250000 Cd\n0.964185 0.634795 0.397223 Cd\n0.333333 0.666667 0.094205 Cd\n0.268399 0.536798 0.250000 Cd\n0.800150 0.000000 0.000000 Cd\n0.637519 0.917378 0.250000 Cd\n0.500000 0.000000 0.000000 Cd\n0.875014 0.437507 0.643495 Cd\n0.329390 0.964185 0.602777 Cd\n0.000000 0.500000 0.000000 Cd\n0.094194 0.188389 0.343845 Cd\n0.399473 0.600527 0.946937 Cd\n0.235075 0.470149 0.658554 Cd\n0.720141 0.637519 0.750000 Cd\n0.399473 0.798945 0.553063 Cd\n0.463202 0.731601 0.250000 Cd\n",
"nsites": 142,
"nelements": 2,
"elements": [
"La",
"Cd"
],
"chemical_system": "Cd-La",
"density": 7.770578397805632,
"density_atomic": 0.03990677026777245,
"volume": 3558.2934686818057,
"volume_molar": 15.090524037880623,
"formula_full": "La26 Cd116",
"formula_reduced": "La13Cd58",
"formula_anonymous": "A13B58",
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}