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{
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"results": [
{
"id": "mp-1093662",
"created_at": "2022-09-04T14:42:46.384672Z",
"structure_string": "Ca1 Mg1 Ag2\n1.0\n-5.738357 6.274529 8.865973\n5.738357 -6.274529 8.865973\n5.738357 6.274529 -8.865973\nCa Mg Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.248258 0.248258 Ag\n0.000000 0.751742 0.751742 Ag\n",
"nsites": 4,
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"density_atomic": 0.0031325996945070116,
"volume": 1276.8947168749228,
"volume_molar": 192.2409930180283,
"formula_full": "Ca1 Mg1 Ag2",
"formula_reduced": "CaMgAg2",
"formula_anonymous": "ABC2",
"energy": -5.08681073,
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"updated_at": "2021-11-28T01:35:49.552000Z",
"spacegroup": 71
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{
"id": "mp-1227417",
"created_at": "2022-09-04T14:48:23.818654Z",
"structure_string": "Ca4 Mg2 Ag6\n1.0\n3.006607 -5.207597 0.000000\n3.006607 5.207597 0.000000\n0.000000 0.000000 9.063194\nCa Mg Ag\n4 2 6\ndirect\n0.333333 0.666667 0.440742 Ca\n0.666667 0.333333 0.559258 Ca\n0.666667 0.333333 0.940742 Ca\n0.333333 0.666667 0.059258 Ca\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.831051 0.168949 0.250000 Ag\n0.831051 0.662103 0.250000 Ag\n0.337897 0.168949 0.250000 Ag\n0.168949 0.831051 0.750000 Ag\n0.168949 0.337897 0.750000 Ag\n0.662103 0.831051 0.750000 Ag\n",
"nsites": 12,
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"elements": [
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"volume": 283.80843857025394,
"volume_molar": 14.242786382882354,
"formula_full": "Ca4 Mg2 Ag6",
"formula_reduced": "Ca2MgAg3",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:38:54.491000Z",
"spacegroup": 194
},
{
"id": "mp-1233177",
"created_at": "2022-09-04T14:42:57.031721Z",
"structure_string": "Ca1 Mn4 Ag4 O16\n1.0\n5.542784 -0.267243 0.489733\n-0.561302 8.276991 0.138023\n0.778567 0.218105 9.158749\nCa Mn Ag O\n1 4 4 16\ndirect\n0.085660 0.152993 0.902266 Ca\n0.814610 0.139474 0.323962 Mn\n0.236773 0.627595 0.213909 Mn\n0.697011 0.376454 0.765927 Mn\n0.206897 0.847352 0.685766 Mn\n0.470097 0.246758 0.109557 Ag\n0.699435 0.691539 0.490058 Ag\n0.276297 0.312649 0.517419 Ag\n0.652123 0.775445 0.923906 Ag\n0.949788 0.118235 0.148605 O\n0.532322 0.202232 0.329360 O\n0.260118 0.017152 0.589417 O\n0.247338 0.473072 0.109483 O\n0.728234 0.524495 0.880675 O\n0.468178 0.784646 0.708832 O\n0.781660 0.968125 0.421560 O\n0.050170 0.710177 0.607979 O\n0.491965 0.218488 0.871614 O\n0.043106 0.881212 0.850835 O\n0.371975 0.792695 0.115365 O\n0.968480 0.294377 0.720336 O\n0.953149 0.651503 0.275710 O\n0.570594 0.432172 0.616842 O\n0.980787 0.286040 0.390797 O\n0.379902 0.595490 0.351697 O\n",
"nsites": 25,
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"elements": [
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],
"chemical_system": "Ag-Ca-Mn-O",
"density": 3.7867918143918575,
"density_atomic": 0.06018355512777979,
"volume": 415.39586597901706,
"volume_molar": 10.006289504190942,
"formula_full": "Ca1 Mn4 Ag4 O16",
"formula_reduced": "CaMn4(AgO4)4",
"formula_anonymous": "AB4C4D16",
"energy": -156.38239671000002,
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"energy_uncorrected": -138.71839671,
"band_gap": 0.214,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:57.771000Z",
"spacegroup": 1
},
{
"id": "mp-1233090",
"created_at": "2022-09-04T14:45:16.409448Z",
"structure_string": "Ca1 Mn4 Ag4 O16\n1.0\n5.596707 -0.276372 0.034731\n-0.607614 8.008648 0.196465\n0.060313 0.232785 8.608695\nCa Mn Ag O\n1 4 4 16\ndirect\n0.700876 0.455708 0.185951 Ca\n0.774218 0.103356 0.297427 Mn\n0.266230 0.642779 0.206853 Mn\n0.733323 0.367494 0.791213 Mn\n0.227790 0.879997 0.698486 Mn\n0.279721 0.102646 0.047559 Ag\n0.704202 0.699190 0.517143 Ag\n0.244064 0.320720 0.509790 Ag\n0.715506 0.878631 0.953157 Ag\n0.909684 0.037728 0.138358 O\n0.515522 0.186136 0.241051 O\n0.260760 0.037471 0.572423 O\n0.280940 0.494438 0.083645 O\n0.763706 0.516173 0.916766 O\n0.491758 0.821776 0.743397 O\n0.742301 0.971765 0.450059 O\n0.061816 0.720883 0.628983 O\n0.581680 0.198144 0.876578 O\n0.093601 0.935818 0.857566 O\n0.422118 0.821431 0.131940 O\n0.993542 0.322963 0.734499 O\n0.987262 0.672689 0.255487 O\n0.585058 0.430697 0.638311 O\n0.938293 0.290234 0.340798 O\n0.423948 0.572613 0.362247 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ag-Ca-Mn-O",
"density": 4.094983434180548,
"density_atomic": 0.06508165046774006,
"volume": 384.1328518918263,
"volume_molar": 9.25320841853124,
"formula_full": "Ca1 Mn4 Ag4 O16",
"formula_reduced": "CaMn4(AgO4)4",
"formula_anonymous": "AB4C4D16",
"energy": -156.9482966,
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"energy_uncorrected": -139.2842966,
"band_gap": 0.1282,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.184000Z",
"spacegroup": 1
},
{
"id": "mp-532537",
"created_at": "2022-09-04T14:44:07.388217Z",
"structure_string": "Ca8 Mn8 V12 Ag4 O48\n1.0\n-6.370663 6.370663 6.422836\n6.370663 -6.370663 6.422836\n6.370663 6.370663 -6.422836\nCa Mn V Ag O\n8 8 12 4 48\ndirect\n0.625000 0.253812 0.128812 Ca\n0.246188 0.875000 0.871188 Ca\n0.625000 0.753812 0.628812 Ca\n0.003812 0.375000 0.128812 Ca\n0.746188 0.875000 0.371188 Ca\n0.125000 0.496188 0.871188 Ca\n0.503812 0.375000 0.628812 Ca\n0.125000 0.996188 0.371188 Ca\n0.375000 0.125000 0.750000 Mn\n0.375000 0.125000 0.250000 Mn\n0.875000 0.625000 0.750000 Mn\n0.375000 0.625000 0.750000 Mn\n0.375000 0.625000 0.250000 Mn\n0.875000 0.125000 0.250000 Mn\n0.875000 0.125000 0.750000 Mn\n0.875000 0.625000 0.250000 Mn\n0.752964 0.375000 0.877964 V\n0.125000 0.747036 0.122036 V\n0.750000 0.250000 0.500000 V\n0.250000 0.750000 0.500000 V\n0.625000 0.002964 0.877964 V\n0.497036 0.875000 0.122036 V\n0.252964 0.375000 0.377964 V\n0.125000 0.247036 0.622036 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.625000 0.502964 0.377964 V\n0.997036 0.875000 0.622036 V\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.750000 0.750000 0.000000 Ag\n0.250000 0.250000 0.000000 Ag\n0.575151 0.227388 0.462794 O\n0.766187 0.509429 0.340496 O\n0.788301 0.415738 0.058124 O\n0.574309 0.233813 0.743242 O\n0.266187 0.925691 0.256758 O\n0.272612 0.924849 0.537206 O\n0.480177 0.038301 0.872563 O\n0.668933 0.009429 0.743242 O\n0.769823 0.142387 0.058124 O\n0.772612 0.235406 0.347763 O\n0.990571 0.733813 0.659504 O\n0.165738 0.607613 0.127437 O\n0.461699 0.019823 0.127437 O\n0.075151 0.612357 0.347763 O\n0.387643 0.735406 0.462794 O\n0.892387 0.334262 0.872563 O\n0.264594 0.727388 0.652237 O\n0.084262 0.711699 0.941876 O\n0.764594 0.112357 0.537206 O\n0.581067 0.824309 0.840496 O\n0.675691 0.918933 0.159504 O\n0.357613 0.730177 0.941876 O\n0.490571 0.831067 0.256758 O\n0.862357 0.825151 0.847763 O\n0.259429 0.418933 0.243242 O\n0.887643 0.424849 0.652237 O\n0.392387 0.519823 0.558124 O\n0.074309 0.331067 0.340496 O\n0.168933 0.425691 0.659504 O\n0.985406 0.137643 0.962794 O\n0.665738 0.538301 0.558124 O\n0.485406 0.522612 0.847763 O\n0.857613 0.915738 0.627437 O\n0.362357 0.514594 0.037206 O\n0.674849 0.637643 0.152237 O\n0.288301 0.230177 0.372563 O\n0.584262 0.642387 0.372563 O\n0.759429 0.516187 0.840496 O\n0.977388 0.014594 0.152237 O\n0.980177 0.107613 0.441876 O\n0.081067 0.240571 0.756758 O\n0.269823 0.211699 0.627437 O\n0.477388 0.325151 0.962794 O\n0.483813 0.324309 0.243242 O\n0.175691 0.016187 0.756758 O\n0.961699 0.834262 0.441876 O\n0.983813 0.740571 0.159504 O\n0.174849 0.022612 0.037206 O\n",
"nsites": 80,
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"elements": [
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],
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"density": 4.094238957102675,
"density_atomic": 0.07672447027089621,
"volume": 1042.6921126667758,
"volume_molar": 7.849048339776378,
"formula_full": "Ca8 Mn8 V12 Ag4 O48",
"formula_reduced": "Ca2Mn2V3AgO12",
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"energy": -645.53932846,
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"updated_at": "2021-11-28T01:36:29.048000Z",
"spacegroup": 142
},
{
"id": "mp-1245411",
"created_at": "2022-09-04T14:46:30.617934Z",
"structure_string": "Ca20 Ag8 N16\n1.0\n7.989322 0.000000 0.000000\n0.000000 7.989322 0.000000\n0.000000 0.000000 13.393751\nCa Ag N\n20 8 16\ndirect\n0.750000 0.750000 0.371949 Ca\n0.750000 0.750000 0.871949 Ca\n0.250000 0.250000 0.628051 Ca\n0.250000 0.250000 0.128051 Ca\n0.132662 0.577577 0.416592 Ca\n0.367338 0.577577 0.916592 Ca\n0.132662 0.922423 0.916592 Ca\n0.367338 0.922423 0.416592 Ca\n0.577577 0.132662 0.916592 Ca\n0.922423 0.132662 0.416592 Ca\n0.577577 0.367338 0.416592 Ca\n0.922423 0.367338 0.916592 Ca\n0.867338 0.422423 0.583408 Ca\n0.632662 0.422423 0.083408 Ca\n0.867338 0.077577 0.083408 Ca\n0.632662 0.077577 0.583408 Ca\n0.422423 0.867338 0.083408 Ca\n0.077577 0.867338 0.583408 Ca\n0.422423 0.632662 0.583408 Ca\n0.077577 0.632662 0.083408 Ca\n0.094984 0.905016 0.250000 Ag\n0.405016 0.905016 0.750000 Ag\n0.094984 0.594984 0.750000 Ag\n0.405016 0.594984 0.250000 Ag\n0.905016 0.094984 0.750000 Ag\n0.594984 0.094984 0.250000 Ag\n0.905016 0.405016 0.250000 Ag\n0.594984 0.405016 0.750000 Ag\n0.637717 0.050551 0.404309 N\n0.862283 0.050551 0.904309 N\n0.637717 0.449449 0.904309 N\n0.862283 0.449449 0.404309 N\n0.050551 0.637717 0.904309 N\n0.449449 0.637717 0.404309 N\n0.050551 0.862283 0.404309 N\n0.449449 0.862283 0.904309 N\n0.362283 0.949449 0.595691 N\n0.137717 0.949449 0.095691 N\n0.362283 0.550551 0.095691 N\n0.137717 0.550551 0.595691 N\n0.949449 0.362283 0.095691 N\n0.550551 0.362283 0.595691 N\n0.949449 0.137717 0.595691 N\n0.550551 0.137717 0.095691 N\n",
"nsites": 44,
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"elements": [
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"volume": 854.9132955804084,
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"formula_full": "Ca20 Ag8 N16",
"formula_reduced": "Ca5(AgN2)2",
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"energy": -226.66212148,
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"updated_at": "2021-11-28T01:37:32.516000Z",
"spacegroup": 130
},
{
"id": "mp-5669",
"created_at": "2022-09-04T14:47:58.141313Z",
"structure_string": "Ca19 Ag8 N7\n1.0\n0.000000 7.293889 7.293889\n7.293889 0.000000 7.293889\n7.293889 7.293889 0.000000\nCa Ag N\n19 8 7\ndirect\n0.829262 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Ca\n0.834861 0.834861 0.165139 Ca\n0.834861 0.165139 0.165139 Ca\n0.165139 0.834861 0.834861 Ca\n0.834861 0.165139 0.834861 Ca\n0.165139 0.834861 0.165139 Ca\n0.165139 0.165139 0.834861 Ca\n0.170738 0.500000 0.500000 Ca\n0.170738 0.829262 0.500000 Ca\n0.500000 0.500000 0.170738 Ca\n0.170738 0.500000 0.829262 Ca\n0.500000 0.170738 0.500000 Ca\n0.500000 0.829262 0.170738 Ca\n0.500000 0.170738 0.829262 Ca\n0.500000 0.500000 0.829262 Ca\n0.829262 0.500000 0.170738 Ca\n0.500000 0.829262 0.500000 Ca\n0.829262 0.170738 0.500000 Ca\n0.176178 0.471466 0.176178 Ag\n0.823822 0.823822 0.528534 Ag\n0.823822 0.823822 0.823822 Ag\n0.528534 0.823822 0.823822 Ag\n0.176178 0.176178 0.176178 Ag\n0.471466 0.176178 0.176178 Ag\n0.176178 0.176178 0.471466 Ag\n0.823822 0.528534 0.823822 Ag\n0.000000 0.000000 0.000000 N\n0.325906 0.325906 0.674094 N\n0.325906 0.674094 0.325906 N\n0.674094 0.325906 0.674094 N\n0.325906 0.674094 0.674094 N\n0.674094 0.325906 0.325906 N\n0.674094 0.674094 0.325906 N\n",
"nsites": 34,
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"elements": [
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],
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"volume": 776.0817040848376,
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"formula_full": "Ca19 Ag8 N7",
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"energy": -140.19533188999998,
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"spacegroup": 225
},
{
"id": "mp-1246949",
"created_at": "2022-09-04T14:45:14.651206Z",
"structure_string": "Ca1 Ag1 N1\n1.0\n4.143640 0.000000 0.000000\n-2.071820 3.588630 0.000000\n0.000000 0.000000 4.200140\nCa Ag N\n1 1 1\ndirect\n0.000017 0.000034 0.500000 Ca\n0.666696 0.333392 0.000000 Ag\n0.666687 0.333374 0.500000 N\n",
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"spacegroup": 187
},
{
"id": "mp-542496",
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