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{
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"results": [
{
"id": "mp-1213273",
"created_at": "2022-09-04T14:44:00.601510Z",
"structure_string": "Eu4 Cu2 Ge4 O16\n1.0\n7.631253 5.063808 0.000000\n-7.631253 5.063808 0.000000\n0.000000 2.537911 4.566752\nEu Cu Ge O\n4 2 4 16\ndirect\n0.458208 0.698637 0.192910 Eu\n0.698637 0.458208 0.192910 Eu\n0.200396 0.958914 0.675822 Eu\n0.958914 0.200396 0.675822 Eu\n0.664465 0.077599 0.362049 Cu\n0.077599 0.664465 0.362049 Cu\n0.842545 0.842545 0.352509 Ge\n0.527792 0.105597 0.918544 Ge\n0.105597 0.527792 0.918544 Ge\n0.333498 0.333498 0.988483 Ge\n0.375540 0.907075 0.934652 O\n0.907075 0.375540 0.934652 O\n0.756153 0.947851 0.550288 O\n0.947851 0.756153 0.550288 O\n0.499694 0.499694 0.019294 O\n0.716840 0.226063 0.564244 O\n0.226063 0.716840 0.564244 O\n0.427666 0.241242 0.772823 O\n0.241242 0.427666 0.772823 O\n0.672340 0.672340 0.335607 O\n0.175634 0.175634 0.343737 O\n0.515729 0.156621 0.241743 O\n0.156621 0.515729 0.241743 O\n0.998310 0.998310 0.992339 O\n0.655187 0.996003 0.078540 O\n0.996003 0.655187 0.078540 O\n",
"nsites": 26,
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"elements": [
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"Ge",
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],
"chemical_system": "Cu-Eu-Ge-O",
"density": 6.0291579269965725,
"density_atomic": 0.07366527968688491,
"volume": 352.9478216944711,
"volume_molar": 8.17500562761341,
"formula_full": "Eu4 Cu2 Ge4 O16",
"formula_reduced": "Eu2Cu(GeO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -209.66510335,
"energy_per_atom": -8.064042436538461,
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:12.832000Z",
"spacegroup": 8
},
{
"id": "mp-1178069",
"created_at": "2022-09-04T14:44:00.605600Z",
"structure_string": "Li2 Fe3 Cu1 O8\n1.0\n5.163221 1.569094 -2.518274\n1.651451 -5.688838 0.000513\n1.649642 -2.593469 -5.065615\nLi Fe Cu O\n2 3 1 8\ndirect\n0.500003 0.000019 0.000024 Li\n0.499998 0.499996 0.499991 Li\n0.999985 0.999981 0.500010 Fe\n0.999993 0.500002 0.999993 Fe\n0.000011 0.499984 0.499981 Fe\n0.000003 0.999999 0.999999 Cu\n0.211775 0.228470 0.016858 O\n0.209510 0.737599 0.042163 O\n0.209532 0.252031 0.527733 O\n0.221469 0.737947 0.516666 O\n0.778519 0.262055 0.483338 O\n0.790477 0.747962 0.472265 O\n0.790496 0.262413 0.957829 O\n0.788227 0.771544 0.983148 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.154267104511535,
"density_atomic": 0.09391029282453715,
"volume": 149.0784404874312,
"volume_molar": 6.412652520689955,
"formula_full": "Li2 Fe3 Cu1 O8",
"formula_reduced": "Li2Fe3CuO8",
"formula_anonymous": "AB2C3D8",
"energy": -93.80180535,
"energy_per_atom": -6.700128953571428,
"energy_above_hull": null,
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"energy_uncorrected": -81.53780535,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.483000Z",
"spacegroup": 12
},
{
"id": "mp-1233606",
"created_at": "2022-09-04T14:44:00.617430Z",
"structure_string": "Sr4 Mg1 Mn2 Ga2 O10\n1.0\n0.000824 0.024998 5.780629\n-0.001565 5.768677 0.022498\n-8.438045 2.898920 2.900042\nSr Mg Mn Ga O\n4 1 2 2 10\ndirect\n0.084991 0.616545 0.816781 Sr\n0.901433 0.374779 0.211210 Sr\n0.597414 0.067161 0.816923 Sr\n0.387103 0.913692 0.211244 Sr\n0.969398 0.468938 0.561502 Mg\n0.489402 0.484384 0.025524 Mn\n0.984650 0.990058 0.025471 Mn\n0.623513 0.730467 0.494529 Ga\n0.381912 0.274146 0.494597 Ga\n0.249801 0.250155 0.999805 O\n0.246125 0.746325 0.007420 O\n0.752529 0.252764 0.994274 O\n0.742222 0.742332 0.015170 O\n0.724886 0.662940 0.673236 O\n0.361986 0.311527 0.296234 O\n0.102130 0.162990 0.673435 O\n0.841389 0.892048 0.296138 O\n0.301884 0.644054 0.500414 O\n0.697708 0.355172 0.500380 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
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"Mg",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mg-Mn-O-Sr",
"density": 4.6275852972173945,
"density_atomic": 0.06752846510125664,
"volume": 281.36282931220404,
"volume_molar": 8.9179292776313,
"formula_full": "Sr4 Mg1 Mn2 Ga2 O10",
"formula_reduced": "Sr4MgMn2(GaO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -129.80815616,
"energy_per_atom": -6.832008218947369,
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:29.214000Z",
"spacegroup": 5
},
{
"id": "mp-766096",
"created_at": "2022-09-04T14:44:00.636892Z",
"structure_string": "Li1 Co3 Sb1 P6 O24\n1.0\n7.639259 -4.281543 0.000000\n7.639259 4.281543 0.000000\n5.239601 0.000000 7.016870\nLi Co Sb P O\n1 3 1 6 24\ndirect\n0.989884 0.989884 0.989884 Li\n0.852196 0.852196 0.852196 Co\n0.643730 0.643730 0.643730 Co\n0.355988 0.355988 0.355988 Co\n0.143748 0.143748 0.143748 Sb\n0.967833 0.250719 0.540982 P\n0.540982 0.967833 0.250719 P\n0.250719 0.540982 0.967833 P\n0.743730 0.461460 0.040505 P\n0.461460 0.040505 0.743730 P\n0.040505 0.743730 0.461460 P\n0.863763 0.721233 0.490467 O\n0.721233 0.490467 0.863763 O\n0.942577 0.080406 0.728099 O\n0.490467 0.863763 0.721233 O\n0.785353 0.424768 0.562443 O\n0.983541 0.219038 0.372057 O\n0.728099 0.942577 0.080406 O\n0.562443 0.785353 0.424768 O\n0.424768 0.562443 0.785353 O\n0.789478 0.622649 0.012591 O\n0.920484 0.268878 0.059871 O\n0.622649 0.012591 0.789478 O\n0.372057 0.983541 0.219038 O\n0.080406 0.728099 0.942577 O\n0.219038 0.372057 0.983541 O\n0.571533 0.437690 0.223554 O\n0.437690 0.223554 0.571533 O\n0.268878 0.059871 0.920484 O\n0.012591 0.789478 0.622649 O\n0.223554 0.571533 0.437690 O\n0.508984 0.143935 0.275833 O\n0.059871 0.920484 0.268878 O\n0.275833 0.508984 0.143935 O\n0.143935 0.275833 0.508984 O\n",
"nsites": 35,
"nelements": 5,
"elements": [
"Li",
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-Li-O-P-Sb",
"density": 3.1666154269169313,
"density_atomic": 0.07625056632401922,
"volume": 459.01298426127056,
"volume_molar": 7.8978308625401015,
"formula_full": "Li1 Co3 Sb1 P6 O24",
"formula_reduced": "LiCo3Sb(PO4)6",
"formula_anonymous": "ABC3D6E24",
"energy": -251.83808986000005,
"energy_per_atom": -7.195373996000002,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.965000Z",
"spacegroup": 146
},
{
"id": "mp-768404",
"created_at": "2022-09-04T14:44:00.649063Z",
"structure_string": "Li16 Ti4 Cr4 O24\n1.0\n-5.044491 0.000000 0.000000\n-2.485563 -4.402636 0.000000\n-1.032947 -1.335456 19.324914\nLi Ti Cr O\n16 4 4 24\ndirect\n0.500000 0.500000 0.500000 Li\n0.501508 0.376783 0.875032 Li\n0.180402 0.410314 0.749604 Li\n0.500000 0.000000 0.000000 Li\n0.498895 0.873207 0.374974 Li\n0.492192 0.751090 0.750045 Li\n0.175142 0.909970 0.249426 Li\n0.507808 0.248910 0.249955 Li\n0.819398 0.331524 0.999913 Li\n0.175260 0.156126 0.499665 Li\n0.824740 0.843874 0.500335 Li\n0.180602 0.668476 0.000087 Li\n0.824858 0.090030 0.750574 Li\n0.501105 0.126793 0.625026 Li\n0.819598 0.589686 0.250396 Li\n0.498492 0.623217 0.124968 Li\n0.832040 0.455836 0.624720 Ti\n0.167721 0.295547 0.125215 Ti\n0.832279 0.704453 0.874785 Ti\n0.167960 0.544164 0.375280 Ti\n0.832497 0.955545 0.124871 Cr\n0.167116 0.794221 0.625246 Cr\n0.832884 0.205779 0.374754 Cr\n0.167503 0.044455 0.875129 Cr\n0.501484 0.459798 0.683178 O\n0.493709 0.788870 0.567821 O\n0.506922 0.960915 0.182232 O\n0.145481 0.347551 0.931108 O\n0.145868 0.503587 0.568762 O\n0.497885 0.290315 0.066758 O\n0.854616 0.396628 0.817680 O\n0.146565 0.853538 0.431790 O\n0.140744 0.998552 0.069071 O\n0.146468 0.753163 0.819063 O\n0.859716 0.751050 0.681234 O\n0.853474 0.902123 0.319117 O\n0.146526 0.097877 0.680883 O\n0.140284 0.248950 0.318766 O\n0.853532 0.246837 0.180937 O\n0.859256 0.001448 0.930929 O\n0.853435 0.146462 0.568210 O\n0.145384 0.603372 0.182320 O\n0.502115 0.709685 0.933242 O\n0.854132 0.496413 0.431238 O\n0.854519 0.652449 0.068892 O\n0.493078 0.039085 0.817768 O\n0.506291 0.211130 0.432179 O\n0.498516 0.540202 0.316822 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
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"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.460818529714931,
"density_atomic": 0.1118390670280822,
"volume": 429.18812965372337,
"volume_molar": 5.384648602699692,
"formula_full": "Li16 Ti4 Cr4 O24",
"formula_reduced": "Li4TiCrO6",
"formula_anonymous": "ABC4D6",
"energy": -344.35518555,
"energy_per_atom": -7.174066365624999,
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"updated_at": "2021-11-28T01:36:08.523000Z",
"spacegroup": 15
},
{
"id": "mp-1226388",
"created_at": "2022-09-04T14:44:00.661556Z",
"structure_string": "Cr4 Cd2 Se6 S2\n1.0\n-3.788389 3.810371 5.374114\n3.788389 -3.810371 5.374114\n3.788389 3.810371 -5.374114\nCr Cd Se S\n4 2 6 2\ndirect\n0.629716 0.379223 0.749507 Cr\n0.629716 0.880208 0.250493 Cr\n0.633745 0.375018 0.258727 Cr\n0.116290 0.375018 0.741273 Cr\n0.251991 0.751991 0.500000 Cd\n0.989020 0.989020 0.000000 Cd\n0.860770 0.138828 0.721942 Se\n0.416886 0.138828 0.278058 Se\n0.392738 0.609328 0.216590 Se\n0.392738 0.176148 0.783410 Se\n0.390411 0.611252 0.779159 Se\n0.832093 0.611252 0.220841 Se\n0.856943 0.142539 0.285596 S\n0.856943 0.571347 0.714404 S\n",
"nsites": 14,
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"elements": [
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"Cd",
"Se",
"S"
],
"chemical_system": "Cd-Cr-S-Se",
"density": 5.194500832462983,
"density_atomic": 0.04511690914128817,
"volume": 310.3049447859467,
"volume_molar": 13.34785754303571,
"formula_full": "Cr4 Cd2 Se6 S2",
"formula_reduced": "Cr2CdSe3S",
"formula_anonymous": "ABC2D3",
"energy": -81.79680809999999,
"energy_per_atom": -5.84262915,
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"updated_at": "2021-11-28T01:36:09.986000Z",
"spacegroup": 44
},
{
"id": "mp-1044745",
"created_at": "2022-09-04T14:44:00.670928Z",
"structure_string": "Ba1 Ca1 Mo4 O8\n1.0\n2.920190 -5.057917 0.000000\n2.920190 5.057917 0.000000\n0.000000 0.000000 7.579887\nBa Ca Mo O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.730211 Mo\n0.666667 0.333333 0.730211 Mo\n0.333333 0.666667 0.269789 Mo\n0.666667 0.333333 0.269789 Mo\n0.304850 0.304850 0.701005 O\n0.695150 0.000000 0.701005 O\n0.000000 0.695150 0.701005 O\n0.695150 0.695150 0.298995 O\n0.000000 0.304850 0.298995 O\n0.304850 0.000000 0.298995 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
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"elements": [
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"Mo",
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],
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"density": 5.110857252179079,
"density_atomic": 0.06252482732249451,
"volume": 223.9110542087532,
"volume_molar": 9.631599186893586,
"formula_full": "Ba1 Ca1 Mo4 O8",
"formula_reduced": "BaCa(MoO2)4",
"formula_anonymous": "ABC4D8",
"energy": -112.02467691,
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"updated_at": "2021-11-28T01:36:36.513000Z",
"spacegroup": 162
},
{
"id": "mp-1207800",
"created_at": "2022-09-04T14:44:00.869361Z",
"structure_string": "Y4 Cr4 Fe30\n1.0\n4.192931 -7.262370 0.000000\n4.192931 7.262370 0.000000\n0.000000 0.000000 8.298380\nY Cr Fe\n4 4 30\ndirect\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.750000 Y\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.618766 Cr\n0.666667 0.333333 0.381234 Cr\n0.666667 0.333333 0.118766 Cr\n0.333333 0.666667 0.881234 Cr\n0.166520 0.333040 0.012123 Fe\n0.833480 0.666960 0.987877 Fe\n0.666960 0.833480 0.012123 Fe\n0.833480 0.666960 0.512123 Fe\n0.333040 0.166520 0.987877 Fe\n0.166520 0.333040 0.487877 Fe\n0.166520 0.833480 0.012123 Fe\n0.333040 0.166520 0.512123 Fe\n0.833480 0.166520 0.987877 Fe\n0.666960 0.833480 0.487877 Fe\n0.833480 0.166520 0.512123 Fe\n0.166520 0.833480 0.487877 Fe\n0.960266 0.330008 0.250000 Fe\n0.039734 0.669992 0.750000 Fe\n0.669992 0.630257 0.250000 Fe\n0.330008 0.960266 0.750000 Fe\n0.330008 0.369743 0.750000 Fe\n0.669992 0.039734 0.250000 Fe\n0.369743 0.039734 0.250000 Fe\n0.630257 0.669992 0.750000 Fe\n0.630257 0.960266 0.750000 Fe\n0.369743 0.330008 0.250000 Fe\n0.039734 0.369743 0.750000 Fe\n0.960266 0.630257 0.250000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 38,
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"elements": [
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],
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"density": 7.356573945283695,
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"volume": 505.381570690569,
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"formula_full": "Y4 Cr4 Fe30",
"formula_reduced": "Y2Cr2Fe15",
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"energy": -318.13928363,
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"updated_at": "2021-11-28T01:36:12.091000Z",
"spacegroup": 194
},
{
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{
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