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{
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"results": [
{
"id": "mp-1192102",
"created_at": "2022-09-04T14:40:31.683122Z",
"structure_string": "Co4 Sb4 O14\n1.0\n0.000000 5.084278 5.084278\n5.084278 0.000000 5.084278\n5.084278 5.084278 0.000000\nCo Sb O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Co\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.125000 0.125000 0.125000 Co\n0.125000 0.625000 0.625000 Sb\n0.625000 0.125000 0.625000 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.706331 0.706331 0.293669 O\n0.293669 0.293669 0.706331 O\n0.706331 0.293669 0.706331 O\n0.293669 0.706331 0.293669 O\n0.293669 0.706331 0.706331 O\n0.706331 0.293669 0.293669 O\n0.543669 0.543669 0.956331 O\n0.956331 0.956331 0.543669 O\n0.543669 0.956331 0.543669 O\n0.956331 0.543669 0.956331 O\n0.956331 0.543669 0.543669 O\n0.543669 0.956331 0.956331 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Co4 Sb4 O14",
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{
"id": "mp-1246994",
"created_at": "2022-09-04T14:43:11.890676Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n7.437443 0.051589 0.022070\n0.051589 7.437443 0.022070\n0.036920 0.036920 10.536334\nZr Cr Ag S\n4 4 4 16\ndirect\n0.001529 0.239409 0.622984 Zr\n0.739409 0.001529 0.372984 Zr\n0.501529 0.739409 0.122984 Zr\n0.239409 0.501529 0.872984 Zr\n0.003012 0.749455 0.624042 Cr\n0.749455 0.503012 0.874042 Cr\n0.249455 0.003012 0.374042 Cr\n0.503012 0.249455 0.124042 Cr\n0.011792 0.996329 0.004412 Ag\n0.511792 0.496329 0.504412 Ag\n0.496329 0.011792 0.754412 Ag\n0.996329 0.511792 0.254412 Ag\n0.005034 0.226259 0.380593 S\n0.772043 0.986446 0.617761 S\n0.013348 0.778522 0.392975 S\n0.732419 0.484401 0.107233 S\n0.486446 0.772043 0.367761 S\n0.278522 0.013348 0.142975 S\n0.484401 0.232419 0.357233 S\n0.726259 0.005034 0.130593 S\n0.505034 0.726259 0.880593 S\n0.272043 0.486446 0.117761 S\n0.513348 0.278522 0.892975 S\n0.232419 0.984401 0.607233 S\n0.986446 0.272043 0.867761 S\n0.778522 0.513348 0.642975 S\n0.984401 0.732419 0.857233 S\n0.226259 0.505034 0.630593 S\n",
"nsites": 28,
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"elements": [
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"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.32354781656251,
"density_atomic": 0.04804531740368825,
"volume": 582.7831204597381,
"volume_molar": 12.53429279985921,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -183.98824288,
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"updated_at": "2021-11-28T01:36:05.823000Z",
"spacegroup": 46
},
{
"id": "mp-22248",
"created_at": "2022-09-04T14:43:20.949796Z",
"structure_string": "Eu2 B6 O12\n1.0\n4.099965 4.956388 0.000000\n-4.099965 4.956388 0.000000\n0.000000 3.904058 5.144475\nEu B O\n2 6 12\ndirect\n0.794838 0.205162 0.750000 Eu\n0.205162 0.794838 0.250000 Eu\n0.777634 0.222366 0.250000 B\n0.222366 0.777634 0.750000 B\n0.340351 0.205354 0.584705 B\n0.794646 0.659649 0.915295 B\n0.659649 0.794646 0.415295 B\n0.205354 0.340351 0.084705 B\n0.780268 0.009821 0.212658 O\n0.209420 0.383941 0.503412 O\n0.616059 0.790580 0.996588 O\n0.790580 0.616059 0.496588 O\n0.214245 0.583290 0.991035 O\n0.416710 0.785755 0.508965 O\n0.785755 0.416710 0.008965 O\n0.583290 0.214245 0.491035 O\n0.219732 0.990179 0.787342 O\n0.009821 0.780268 0.712658 O\n0.383941 0.209420 0.003412 O\n0.990179 0.219732 0.287342 O\n",
"nsites": 20,
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"elements": [
"Eu",
"B",
"O"
],
"chemical_system": "B-Eu-O",
"density": 4.453796576284661,
"density_atomic": 0.09565628116803465,
"volume": 209.08193122066905,
"volume_molar": 6.295604100917538,
"formula_full": "Eu2 B6 O12",
"formula_reduced": "Eu(BO2)3",
"formula_anonymous": "AB3C6",
"energy": -179.19498203,
"energy_per_atom": -8.9597491015,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:15.725000Z",
"spacegroup": 15
},
{
"id": "mp-1100681",
"created_at": "2022-09-04T14:39:07.412816Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.879063 5.187253 0.000000\n-2.879063 5.187253 0.000000\n0.000000 3.819893 9.613068\nLi Mn Co O\n9 2 5 16\ndirect\n0.504908 0.504908 0.995187 Li\n0.007102 0.007102 0.991797 Li\n0.747562 0.247211 0.260017 Li\n0.247211 0.747562 0.260017 Li\n0.997790 0.997790 0.505121 Li\n0.497417 0.497417 0.509292 Li\n0.251889 0.747897 0.736484 Li\n0.747897 0.251889 0.736484 Li\n0.249992 0.249992 0.746924 Li\n0.999875 0.500832 0.996965 Mn\n0.500832 0.999875 0.996965 Mn\n0.248207 0.248207 0.258339 Co\n0.748757 0.748757 0.251075 Co\n0.501712 0.001310 0.507491 Co\n0.001310 0.501712 0.507491 Co\n0.752299 0.752299 0.749471 Co\n0.367046 0.367046 0.893704 O\n0.870339 0.870339 0.891304 O\n0.608138 0.097429 0.127651 O\n0.097429 0.608138 0.127651 O\n0.863947 0.863947 0.379705 O\n0.367393 0.367393 0.372131 O\n0.095736 0.628407 0.627744 O\n0.628407 0.095736 0.627744 O\n0.635493 0.635493 0.110543 O\n0.135182 0.135182 0.109645 O\n0.878660 0.393498 0.364264 O\n0.393498 0.878660 0.364264 O\n0.133077 0.133077 0.611628 O\n0.625470 0.625470 0.625247 O\n0.409186 0.886239 0.878827 O\n0.886239 0.409186 0.878827 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.181264738022913,
"density_atomic": 0.11144725330657627,
"volume": 287.13134734664425,
"volume_molar": 5.403579344781076,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.38637842,
"energy_per_atom": -6.512074325625,
"energy_above_hull": null,
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"energy_uncorrected": -185.86837842,
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"updated_at": "2021-11-28T01:34:30.216000Z",
"spacegroup": 8
},
{
"id": "mp-1378139",
"created_at": "2022-09-04T14:41:48.510017Z",
"structure_string": "Mn4 Zn6 O14\n1.0\n2.581260 -9.046007 0.000000\n2.581260 9.046007 0.000000\n0.000000 0.000000 5.182063\nMn Zn O\n4 6 14\ndirect\n0.849911 0.646194 0.248410 Mn\n0.150089 0.353806 0.748410 Mn\n0.353806 0.150089 0.748410 Mn\n0.646194 0.849911 0.248410 Mn\n0.249953 0.249953 0.292747 Zn\n0.750047 0.750047 0.792747 Zn\n0.030353 0.423384 0.197482 Zn\n0.969647 0.576616 0.697482 Zn\n0.423384 0.030353 0.197482 Zn\n0.576616 0.969647 0.697482 Zn\n0.648547 0.054257 0.307033 O\n0.351454 0.945743 0.807033 O\n0.945743 0.351453 0.807033 O\n0.054257 0.648547 0.307033 O\n0.442985 0.699721 0.931927 O\n0.557015 0.300279 0.431927 O\n0.300279 0.557015 0.431927 O\n0.699721 0.442985 0.931927 O\n0.992563 0.146863 0.065837 O\n0.007437 0.853137 0.565837 O\n0.633299 0.633299 0.185872 O\n0.366701 0.366701 0.685872 O\n0.146863 0.992563 0.065837 O\n0.853137 0.007437 0.565837 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.737685671080305,
"density_atomic": 0.09917218606293306,
"volume": 242.0033373547901,
"volume_molar": 6.072409008084634,
"formula_full": "Mn4 Zn6 O14",
"formula_reduced": "Mn2Zn3O7",
"formula_anonymous": "A2B3C7",
"energy": -155.1604659,
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"updated_at": "2021-11-28T01:35:26.200000Z",
"spacegroup": 36
},
{
"id": "mp-1229233",
"created_at": "2022-09-04T14:43:16.879944Z",
"structure_string": "Ag4 Os4 N8 O12\n1.0\n0.000000 6.195113 0.000000\n0.043638 0.000000 8.602767\n9.308724 3.097556 -1.168257\nAg Os N O\n4 4 8 12\ndirect\n0.997471 0.500000 0.000000 Ag\n0.298070 0.190236 0.380693 Ag\n0.678763 0.809764 0.619307 Ag\n0.503196 0.500000 0.000000 Ag\n0.313317 0.678911 0.389182 Os\n0.702498 0.321089 0.610818 Os\n0.103909 0.996888 0.775462 Os\n0.879371 0.003112 0.224538 Os\n0.112714 0.521992 0.779965 N\n0.892678 0.478008 0.220035 N\n0.504354 0.249137 0.992486 N\n0.496840 0.750863 0.007514 N\n0.806836 0.942367 0.390722 N\n0.197558 0.057633 0.609278 N\n0.489553 0.681490 0.492826 N\n0.982379 0.318510 0.507174 N\n0.036916 0.163442 0.904456 O\n0.941372 0.836558 0.095544 O\n0.392961 0.513854 0.254329 O\n0.647290 0.486146 0.745671 O\n0.349490 0.851315 0.307396 O\n0.656886 0.148685 0.692604 O\n0.644929 0.117267 0.217729 O\n0.120937 0.119424 0.206662 O\n0.327599 0.880576 0.793338 O\n0.862658 0.882733 0.782271 O\n0.029929 0.670257 0.499597 O\n0.529526 0.329743 0.500403 O\n",
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],
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"density_atomic": 0.056403245629683095,
"volume": 496.42533310644376,
"volume_molar": 10.676940117131759,
"formula_full": "Ag4 Os4 N8 O12",
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"formula_anonymous": "ABC2D3",
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"spacegroup": 5
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{
"id": "mp-26705",
"created_at": "2022-09-04T14:45:21.490232Z",
"structure_string": "Li6 Cr4 P6 O24\n1.0\n4.377074 7.178501 0.000000\n-4.377074 7.178501 0.000000\n0.000000 4.788900 7.103843\nLi Cr P O\n6 4 6 24\ndirect\n0.157517 0.236979 0.359464 Li\n0.842483 0.763021 0.640536 Li\n0.000000 0.500000 0.000000 Li\n0.763021 0.842483 0.140536 Li\n0.500000 0.000000 0.500000 Li\n0.236979 0.157517 0.859464 Li\n0.858329 0.365887 0.851170 Cr\n0.365887 0.858329 0.351170 Cr\n0.634113 0.141671 0.648830 Cr\n0.141671 0.634113 0.148830 Cr\n0.043078 0.956922 0.750000 P\n0.255188 0.447514 0.531754 P\n0.744812 0.552486 0.468246 P\n0.956922 0.043078 0.250000 P\n0.447514 0.255188 0.031754 P\n0.552486 0.744812 0.968246 P\n0.318927 0.617426 0.464616 O\n0.556666 0.904741 0.770688 O\n0.873514 0.982394 0.705348 O\n0.982394 0.873514 0.205348 O\n0.017606 0.126486 0.794652 O\n0.126486 0.017606 0.294652 O\n0.443334 0.095259 0.229312 O\n0.249834 0.407427 0.070723 O\n0.452209 0.188576 0.889516 O\n0.617426 0.318927 0.964616 O\n0.053003 0.770660 0.922022 O\n0.547791 0.811424 0.110484 O\n0.407427 0.249834 0.570723 O\n0.188576 0.452209 0.389516 O\n0.095259 0.443334 0.729312 O\n0.770660 0.053003 0.422022 O\n0.229340 0.946997 0.577978 O\n0.681073 0.382574 0.535384 O\n0.811424 0.547791 0.610484 O\n0.592573 0.750166 0.429277 O\n0.904741 0.556666 0.270688 O\n0.946997 0.229340 0.077978 O\n0.382574 0.681073 0.035384 O\n0.750166 0.592573 0.929277 O\n",
"nsites": 40,
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"P",
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"formula_full": "Li6 Cr4 P6 O24",
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"energy": -306.79058079,
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"updated_at": "2021-11-28T01:37:03.880000Z",
"spacegroup": 15
},
{
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