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{
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"results": [
{
"id": "mp-1093860",
"created_at": "2022-09-04T14:46:10.828680Z",
"structure_string": "Li2 Ga1 Ag1\n1.0\n-5.379452 5.470241 7.710886\n5.379452 -5.470241 7.710886\n5.379452 5.470241 -7.710886\nLi Ga Ag\n2 1 1\ndirect\n0.000000 0.258425 0.258425 Li\n0.000000 0.741575 0.741575 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ag"
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"chemical_system": "Ag-Ga-Li",
"density": 0.350306601953431,
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"volume": 907.6298506334816,
"volume_molar": 136.64686796231504,
"formula_full": "Li2 Ga1 Ag1",
"formula_reduced": "Li2GaAg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:21.181000Z",
"spacegroup": 71
},
{
"id": "mp-1027978",
"created_at": "2022-09-04T14:46:13.472881Z",
"structure_string": "K1 Mg14 Zn1\n1.0\n6.502579 0.015370 0.000000\n-3.237978 5.608342 0.000000\n0.000000 0.000000 10.526018\nK Mg Zn\n1 14 1\ndirect\n0.163855 0.831927 0.125000 K\n0.164235 0.332117 0.625000 Mg\n0.167445 0.833722 0.625000 Mg\n0.659136 0.338117 0.125000 Mg\n0.665676 0.330445 0.625000 Mg\n0.659136 0.821018 0.125000 Mg\n0.665676 0.835230 0.625000 Mg\n0.335502 0.176805 0.384699 Mg\n0.335502 0.176805 0.865301 Mg\n0.335502 0.658698 0.384699 Mg\n0.335502 0.658698 0.865301 Mg\n0.838528 0.169264 0.365145 Mg\n0.838528 0.169264 0.884855 Mg\n0.824009 0.662005 0.388631 Mg\n0.824009 0.662005 0.861369 Mg\n0.187759 0.343879 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Zn"
],
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"density": 1.9213886114720198,
"density_atomic": 0.04162396840645995,
"volume": 384.3939108294353,
"volume_molar": 14.467963989385924,
"formula_full": "K1 Mg14 Zn1",
"formula_reduced": "KMg14Zn",
"formula_anonymous": "ABC14",
"energy": -23.26864957,
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"updated_at": "2021-11-28T01:37:25.081000Z",
"spacegroup": 38
},
{
"id": "mp-680531",
"created_at": "2022-09-04T14:47:23.155793Z",
"structure_string": "Ca8 Zn24\n1.0\n4.560458 -7.898945 0.000000\n4.560458 7.898945 0.000000\n0.000000 0.000000 9.762362\nCa Zn\n8 24\ndirect\n0.000000 0.000000 0.750000 Ca\n0.543196 0.086392 0.250000 Ca\n0.913608 0.456804 0.250000 Ca\n0.086392 0.543196 0.750000 Ca\n0.456804 0.543196 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.543196 0.456804 0.250000 Ca\n0.456804 0.913608 0.750000 Ca\n0.831514 0.663028 0.507734 Zn\n0.168486 0.336972 0.007734 Zn\n0.336972 0.168486 0.992266 Zn\n0.831514 0.168486 0.992266 Zn\n0.333333 0.666667 0.490959 Zn\n0.234348 0.468696 0.250000 Zn\n0.831514 0.168486 0.507734 Zn\n0.831514 0.663028 0.992266 Zn\n0.666667 0.333333 0.990959 Zn\n0.168486 0.831514 0.007734 Zn\n0.663028 0.831514 0.492266 Zn\n0.468696 0.234348 0.750000 Zn\n0.336972 0.168486 0.507734 Zn\n0.531304 0.765652 0.250000 Zn\n0.663028 0.831514 0.007734 Zn\n0.168486 0.831514 0.492266 Zn\n0.666667 0.333333 0.509041 Zn\n0.000000 0.000000 0.500000 Zn\n0.765652 0.234348 0.750000 Zn\n0.333333 0.666667 0.009041 Zn\n0.234348 0.765652 0.250000 Zn\n0.168486 0.336972 0.492266 Zn\n0.765652 0.531304 0.750000 Zn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 32,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ca-Zn",
"density": 4.4632328179299945,
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"volume": 703.3353627560061,
"volume_molar": 13.236201737507281,
"formula_full": "Ca8 Zn24",
"formula_reduced": "CaZn3",
"formula_anonymous": "AB3",
"energy": -46.53755409,
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"updated_at": "2021-11-28T01:38:07.931000Z",
"spacegroup": 194
},
{
"id": "mp-1026852",
"created_at": "2022-09-04T14:47:05.882085Z",
"structure_string": "K1 Sr1 Mg14\n1.0\n6.724913 0.040445 0.000000\n-3.327430 5.763278 0.000000\n0.000000 0.000000 10.809626\nK Sr Mg\n1 1 14\ndirect\n0.168989 0.334494 0.125000 K\n0.170097 0.835048 0.125000 Sr\n0.165540 0.332770 0.625000 Mg\n0.165944 0.832971 0.625000 Mg\n0.663722 0.334458 0.125000 Mg\n0.667084 0.332679 0.625000 Mg\n0.663722 0.829263 0.125000 Mg\n0.667084 0.834403 0.625000 Mg\n0.343865 0.170698 0.394934 Mg\n0.343865 0.170698 0.855066 Mg\n0.343865 0.673168 0.394934 Mg\n0.343865 0.673168 0.855066 Mg\n0.822122 0.161061 0.382599 Mg\n0.822122 0.161061 0.867401 Mg\n0.824057 0.662029 0.381599 Mg\n0.824057 0.662029 0.868401 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Sr",
"Mg"
],
"chemical_system": "K-Mg-Sr",
"density": 1.8445175863575738,
"density_atomic": 0.03805815106949595,
"volume": 420.40928290980975,
"volume_molar": 15.823524240584605,
"formula_full": "K1 Sr1 Mg14",
"formula_reduced": "KSrMg14",
"formula_anonymous": "ABC14",
"energy": -23.27056169,
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"total_magnetization": 2.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.415000Z",
"spacegroup": 38
},
{
"id": "mp-1218673",
"created_at": "2022-09-04T14:47:36.357992Z",
"structure_string": "Sr4 Zn51\n1.0\n14.310878 -4.362261 0.000000\n14.310878 4.362261 0.000000\n12.981168 0.000000 7.437730\nSr Zn\n4 51\ndirect\n0.875002 0.875002 0.875002 Sr\n0.375596 0.375596 0.375596 Sr\n0.124998 0.124998 0.124998 Sr\n0.624404 0.624404 0.624404 Sr\n0.718139 0.479766 0.081934 Zn\n0.219018 0.979041 0.580717 Zn\n0.400891 0.158826 0.039198 Zn\n0.900599 0.659750 0.539758 Zn\n0.281861 0.520234 0.918066 Zn\n0.780982 0.020959 0.419283 Zn\n0.599109 0.841174 0.960802 Zn\n0.099401 0.340250 0.460242 Zn\n0.822189 0.237427 0.469022 Zn\n0.331869 0.729775 0.967623 Zn\n0.295195 0.413797 0.645032 Zn\n0.789628 0.907608 0.151347 Zn\n0.704805 0.586203 0.354968 Zn\n0.210372 0.092392 0.848653 Zn\n0.177811 0.762573 0.530978 Zn\n0.668131 0.270225 0.032377 Zn\n0.158826 0.039198 0.400891 Zn\n0.659750 0.539758 0.900599 Zn\n0.479766 0.081934 0.718139 Zn\n0.979041 0.580717 0.219018 Zn\n0.841174 0.960802 0.599109 Zn\n0.340250 0.460242 0.099401 Zn\n0.520234 0.918066 0.281861 Zn\n0.020959 0.419283 0.780982 Zn\n0.413797 0.645032 0.295195 Zn\n0.907608 0.151347 0.789628 Zn\n0.237427 0.469022 0.822189 Zn\n0.729775 0.967623 0.331869 Zn\n0.762573 0.530978 0.177811 Zn\n0.270225 0.032377 0.668131 Zn\n0.586203 0.354968 0.704805 Zn\n0.092392 0.848653 0.210372 Zn\n0.918066 0.281861 0.520234 Zn\n0.419283 0.780982 0.020959 Zn\n0.960802 0.599109 0.841174 Zn\n0.460242 0.099401 0.340250 Zn\n0.081934 0.718139 0.479766 Zn\n0.580717 0.219018 0.979041 Zn\n0.039198 0.400891 0.158826 Zn\n0.539758 0.900599 0.659750 Zn\n0.354968 0.704805 0.586203 Zn\n0.848653 0.210372 0.092392 Zn\n0.530978 0.177811 0.762573 Zn\n0.032377 0.668131 0.270225 Zn\n0.469022 0.822189 0.237427 Zn\n0.967623 0.331869 0.729775 Zn\n0.645032 0.295195 0.413797 Zn\n0.151347 0.789628 0.907608 Zn\n0.000000 0.000000 0.000000 Zn\n0.750071 0.750071 0.750071 Zn\n0.249929 0.249929 0.249929 Zn\n",
"nsites": 55,
"nelements": 2,
"elements": [
"Sr",
"Zn"
],
"chemical_system": "Sr-Zn",
"density": 6.5916788188473285,
"density_atomic": 0.05922626686813119,
"volume": 928.6420182865639,
"volume_molar": 10.168023545040331,
"formula_full": "Sr4 Zn51",
"formula_reduced": "Sr4Zn51",
"formula_anonymous": "A4B51",
"energy": -79.99826991,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:19.720000Z",
"spacegroup": 148
},
{
"id": "mp-1026860",
"created_at": "2022-09-04T14:45:34.445859Z",
"structure_string": "Rb1 Li1 Mg14\n1.0\n6.573419 0.106405 0.000000\n-3.194560 5.533140 0.000000\n0.000000 0.000000 10.804676\nRb Li Mg\n1 1 14\ndirect\n0.163522 0.831761 0.125000 Rb\n0.167767 0.333883 0.125000 Li\n0.162968 0.331483 0.625000 Mg\n0.165210 0.832604 0.625000 Mg\n0.664084 0.334698 0.125000 Mg\n0.666919 0.331469 0.625000 Mg\n0.664084 0.829386 0.125000 Mg\n0.666919 0.835449 0.625000 Mg\n0.341610 0.177079 0.392836 Mg\n0.341610 0.177079 0.857164 Mg\n0.341610 0.664532 0.392836 Mg\n0.341610 0.664532 0.857164 Mg\n0.833514 0.166757 0.371337 Mg\n0.833514 0.166757 0.878663 Mg\n0.822529 0.661265 0.391611 Mg\n0.822529 0.661265 0.858389 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Li",
"Mg"
],
"chemical_system": "Li-Mg-Rb",
"density": 1.8113403841810776,
"density_atomic": 0.040337161928268445,
"volume": 396.65656271139727,
"volume_molar": 14.92951033766126,
"formula_full": "Rb1 Li1 Mg14",
"formula_reduced": "RbLiMg14",
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"energy": -23.28459763,
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"updated_at": "2021-11-28T01:37:09.949000Z",
"spacegroup": 38
},
{
"id": "mp-1026849",
"created_at": "2022-09-04T14:44:23.618519Z",
"structure_string": "K1 Ba1 Mg14\n1.0\n6.890592 -0.000000 -0.000000\n-3.445296 5.967427 0.000000\n-0.000000 0.000000 10.582983\nK Ba Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 K\n0.166667 0.333333 0.625000 Ba\n0.169632 0.834816 0.125000 Mg\n0.177526 0.838762 0.625000 Mg\n0.665184 0.330368 0.125000 Mg\n0.661238 0.322474 0.625000 Mg\n0.665184 0.834816 0.125000 Mg\n0.661238 0.838762 0.625000 Mg\n0.345520 0.154480 0.372838 Mg\n0.345520 0.154480 0.877162 Mg\n0.345520 0.691041 0.372838 Mg\n0.345520 0.691041 0.877162 Mg\n0.808959 0.154480 0.372838 Mg\n0.808959 0.154480 0.877162 Mg\n0.833333 0.666667 0.376158 Mg\n0.833333 0.666667 0.873842 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 1.9716592451731478,
"density_atomic": 0.036767849862125904,
"volume": 435.1627865104344,
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"formula_full": "K1 Ba1 Mg14",
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"updated_at": "2021-11-28T01:36:42.421000Z",
"spacegroup": 187
},
{
"id": "mp-1247741",
"created_at": "2022-09-04T14:42:40.259060Z",
"structure_string": "Ba12 Na12\n1.0\n-8.918369 -8.918369 0.000000\n-8.918369 0.000000 -8.918369\n-0.000000 -8.918369 -8.918369\nBa Na\n12 12\ndirect\n0.592377 0.222870 0.592377 Ba\n0.527130 0.157623 0.157623 Ba\n0.592377 0.592377 0.592377 Ba\n0.157623 0.157623 0.527130 Ba\n0.222870 0.592377 0.592377 Ba\n0.157623 0.527130 0.157623 Ba\n0.592377 0.592377 0.222870 Ba\n0.157623 0.157623 0.157623 Ba\n0.375000 0.375000 0.375000 Ba\n0.375000 0.375000 0.875000 Ba\n0.375000 0.875000 0.375000 Ba\n0.875000 0.375000 0.375000 Ba\n0.211713 0.788287 0.788287 Na\n0.961713 0.961713 0.538287 Na\n0.788287 0.211713 0.211713 Na\n0.538287 0.538287 0.961713 Na\n0.788287 0.211713 0.788287 Na\n0.538287 0.961713 0.961713 Na\n0.211713 0.788287 0.211713 Na\n0.961713 0.538287 0.538287 Na\n0.788287 0.788287 0.211713 Na\n0.961713 0.538287 0.961713 Na\n0.211713 0.211713 0.788287 Na\n0.538287 0.961713 0.538287 Na\n",
"nsites": 24,
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"elements": [
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],
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"density": 2.2517646028535263,
"density_atomic": 0.016917061717694356,
"volume": 1418.6860815727393,
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"formula_full": "Ba12 Na12",
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"updated_at": "2021-11-28T01:35:50.093000Z",
"spacegroup": 227
},
{
"id": "mp-1016475",
"created_at": "2022-09-04T14:45:05.040563Z",
"structure_string": "Cs1 Mg6 Ga1\n1.0\n4.036619 -5.999389 0.000000\n4.036619 5.999389 0.000000\n0.000000 0.000000 4.800066\nCs Mg Ga\n1 6 1\ndirect\n0.871275 0.128725 0.000000 Cs\n0.802613 0.598559 0.000000 Mg\n0.401441 0.197387 0.000000 Mg\n0.305595 0.694405 0.000000 Mg\n0.597681 0.760490 0.500000 Mg\n0.239510 0.402319 0.500000 Mg\n0.147852 0.852148 0.500000 Mg\n0.634033 0.365967 0.500000 Ga\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.488846505573279,
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"volume": 232.48877388428022,
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"formula_full": "Cs1 Mg6 Ga1",
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"spacegroup": 38
},
{
"id": "mp-1094435",
"created_at": "2022-09-04T14:45:55.529728Z",
"structure_string": "Mg3 Zn3\n1.0\n1.498655 5.581686 0.000000\n-1.498655 5.581686 0.000000\n0.000000 1.647892 6.535802\nMg Zn\n3 3\ndirect\n0.991647 0.991647 0.022615 Mg\n0.945908 0.945908 0.592412 Mg\n0.673336 0.673336 0.665651 Mg\n0.622135 0.622135 0.269905 Zn\n0.325037 0.325037 0.328125 Zn\n0.275271 0.275271 0.954625 Zn\n",
"nsites": 6,
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"elements": [
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],
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"volume": 109.34425022925137,
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"formula_full": "Mg3 Zn3",
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{
"id": "mp-1210281",
"created_at": "2022-09-04T14:43:49.123057Z",
"structure_string": "Na8 Ag2\n1.0\n-5.860055 -5.860055 0.000000\n-5.860055 0.000000 -5.860055\n0.000000 -5.860055 -5.860055\nNa Ag\n8 2\ndirect\n0.609925 0.609925 0.609925 Na\n0.170224 0.609925 0.609925 Na\n0.609925 0.170224 0.609925 Na\n0.579776 0.140075 0.140075 Na\n0.140075 0.140075 0.140075 Na\n0.609925 0.609925 0.170224 Na\n0.140075 0.579776 0.140075 Na\n0.140075 0.140075 0.579776 Na\n0.000000 0.000000 0.000000 Ag\n0.750000 0.750000 0.750000 Ag\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Na",
"Ag"
],
"chemical_system": "Ag-Na",
"density": 1.648916985456053,
"density_atomic": 0.024846483259239095,
"volume": 402.4714441743593,
"volume_molar": 24.23739688698474,
"formula_full": "Na8 Ag2",
"formula_reduced": "Na4Ag",
"formula_anonymous": "AB4",
"energy": -14.56535169,
"energy_per_atom": -1.456535169,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.56535169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.350000Z",
"spacegroup": 227
},
{
"id": "mp-1039055",
"created_at": "2022-09-04T14:40:34.244113Z",
"structure_string": "Mg3 Cd1\n1.0\n1.617714 -2.801963 0.000000\n1.617714 2.801963 0.000000\n0.000000 0.000000 9.890729\nMg Cd\n3 1\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.744856 Mg\n0.000000 0.000000 0.255144 Mg\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.432124324897516,
"density_atomic": 0.04461054746229992,
"volume": 89.66489378729041,
"volume_molar": 13.499365290437808,
"formula_full": "Mg3 Cd1",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy": -5.82818498,
"energy_per_atom": -1.457046245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.82818498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.016000Z",
"spacegroup": 187
}
]
}