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{
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"results": [
{
"id": "mp-1069695",
"created_at": "2022-09-04T14:42:22.218232Z",
"structure_string": "Sr1 Mg2 Bi2\n1.0\n2.433668 -4.215236 0.000000\n2.433668 4.215236 0.000000\n0.000000 0.000000 8.033822\nSr Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.375171 Mg\n0.333333 0.666667 0.624829 Mg\n0.666667 0.333333 0.747127 Bi\n0.333333 0.666667 0.252873 Bi\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mg",
"Bi"
],
"chemical_system": "Bi-Mg-Sr",
"density": 5.583068832892094,
"density_atomic": 0.030334341887364565,
"volume": 164.82968440738432,
"volume_molar": 19.85255121855291,
"formula_full": "Sr1 Mg2 Bi2",
"formula_reduced": "Sr(MgBi)2",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:35:37.484000Z",
"spacegroup": 164
},
{
"id": "mp-1095766",
"created_at": "2022-09-04T14:46:16.814372Z",
"structure_string": "Sr1 Mg1 Cd2\n1.0\n-6.776225 6.940191 9.586307\n6.776225 -6.940191 9.586307\n6.776225 6.940191 -9.586307\nSr Mg Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.765423 0.000000 0.765423 Cd\n0.234577 0.000000 0.234577 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sr",
"density": 0.3100860776937939,
"density_atomic": 0.0022181424134245,
"volume": 1803.3107233293294,
"volume_molar": 271.494775247666,
"formula_full": "Sr1 Mg1 Cd2",
"formula_reduced": "SrMgCd2",
"formula_anonymous": "ABC2",
"energy": -1.09800768,
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"energy_uncorrected": -1.09800768,
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"total_magnetization": 0.0001392,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.541000Z",
"spacegroup": 71
},
{
"id": "mp-1522326",
"created_at": "2022-09-04T14:42:40.708128Z",
"structure_string": "Sr1 Mg1 Co4 O12\n1.0\n5.298098 0.000000 0.000000\n0.000000 5.298098 0.000000\n0.000000 -0.000000 7.448398\nSr Mg Co O\n1 1 4 12\ndirect\n-0.000000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Mg\n-0.000000 0.500000 0.751943 Co\n0.000000 0.500000 0.248057 Co\n0.500000 0.000000 0.248057 Co\n0.500000 -0.000000 0.751943 Co\n0.256638 0.256638 0.239473 O\n0.256638 0.256638 0.760527 O\n0.743362 0.743362 0.239473 O\n0.743362 0.743362 0.760527 O\n0.743362 0.256638 0.760527 O\n0.743362 0.256638 0.239473 O\n0.256638 0.743362 0.760527 O\n0.256638 0.743362 0.239473 O\n0.000000 0.500000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O-Sr",
"density": 4.286066413783705,
"density_atomic": 0.08609335964575573,
"volume": 209.07535812359683,
"volume_molar": 6.99489575593172,
"formula_full": "Sr1 Mg1 Co4 O12",
"formula_reduced": "SrMg(CoO3)4",
"formula_anonymous": "ABC4D12",
"energy": -110.85952942,
"energy_per_atom": -6.158862745555556,
"energy_above_hull": null,
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"energy_uncorrected": -96.06352942,
"band_gap": 0.0,
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"total_magnetization": 16.10077,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.556000Z",
"spacegroup": 123
},
{
"id": "mp-1046375",
"created_at": "2022-09-04T14:39:58.870976Z",
"structure_string": "Sr4 Mg4 Co4 P8 O32\n1.0\n-3.936296 -6.283314 3.511005\n6.916033 -6.354606 1.364746\n-1.491319 6.277449 6.936290\nSr Mg Co P O\n4 4 4 8 32\ndirect\n0.997892 0.251317 0.052110 Sr\n0.498096 0.752772 0.053443 Sr\n0.501846 0.248891 0.947820 Sr\n0.001865 0.747650 0.946939 Sr\n0.138095 0.127067 0.655065 Mg\n0.637253 0.625929 0.655407 Mg\n0.362068 0.372712 0.344725 Mg\n0.862777 0.874042 0.344365 Mg\n0.037139 0.674704 0.563472 Co\n0.462100 0.825222 0.436304 Co\n0.536921 0.173169 0.562882 Co\n0.963763 0.326971 0.437722 Co\n0.209266 0.601869 0.238019 P\n0.708687 0.102469 0.237372 P\n0.290927 0.897967 0.762069 P\n0.791333 0.397556 0.762530 P\n0.216147 0.059039 0.304056 P\n0.717822 0.560011 0.303674 P\n0.283610 0.441088 0.696034 P\n0.782231 0.940043 0.696314 P\n0.251745 0.081131 0.878560 O\n0.751487 0.580762 0.878551 O\n0.248278 0.418781 0.121493 O\n0.748755 0.919108 0.121567 O\n0.038315 0.691403 0.203918 O\n0.536894 0.190525 0.202543 O\n0.462120 0.808556 0.796132 O\n0.962945 0.309008 0.796999 O\n0.151334 0.814349 0.765907 O\n0.652018 0.313403 0.765514 O\n0.348936 0.685204 0.233788 O\n0.847957 0.186547 0.234388 O\n0.310069 0.267109 0.688772 O\n0.809739 0.766867 0.690991 O\n0.189808 0.233168 0.311643 O\n0.690309 0.733300 0.309102 O\n0.414142 0.422845 0.577208 O\n0.911979 0.920765 0.576212 O\n0.085395 0.077301 0.422695 O\n0.588287 0.578928 0.423786 O\n0.307803 0.562614 0.867171 O\n0.807301 0.062599 0.866793 O\n0.191928 0.937578 0.132891 O\n0.692702 0.437548 0.133076 O\n0.214814 0.596640 0.401733 O\n0.712445 0.097372 0.401027 O\n0.285445 0.903586 0.598409 O\n0.787377 0.402627 0.598904 O\n0.899296 0.515869 0.364497 O\n0.397257 0.014809 0.365051 O\n0.600853 0.983932 0.635428 O\n0.102430 0.485276 0.634929 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
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"Mg",
"Co",
"P",
"O"
],
"chemical_system": "Co-Mg-O-P-Sr",
"density": 3.7410712423343515,
"density_atomic": 0.08117505628915683,
"volume": 640.5908708553127,
"volume_molar": 7.41870844973399,
"formula_full": "Sr4 Mg4 Co4 P8 O32",
"formula_reduced": "SrMgCo(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -391.01495656,
"energy_per_atom": -7.5195183953846145,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -362.47895656,
"band_gap": 2.9702,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.349000Z",
"spacegroup": 2
},
{
"id": "mp-1333085",
"created_at": "2022-09-04T14:39:06.068992Z",
"structure_string": "Sr2 Mg2 Co2 P4 O16\n1.0\n5.543862 0.000000 0.000000\n-1.006126 6.882315 0.000000\n-1.911851 -3.632605 8.428751\nSr Mg Co P O\n2 2 2 4 16\ndirect\n0.200050 0.750818 0.051777 Sr\n0.799950 0.249182 0.948223 Sr\n0.337314 0.732215 0.649841 Mg\n0.662686 0.267785 0.350159 Mg\n0.077196 0.289624 0.558598 Co\n0.922804 0.710376 0.441402 Co\n0.159042 0.188515 0.237346 P\n0.840958 0.811485 0.762654 P\n0.540738 0.721499 0.303582 P\n0.459262 0.278501 0.696418 P\n0.930085 0.664613 0.887409 O\n0.450688 0.263174 0.211337 O\n0.898050 0.036417 0.761159 O\n0.259716 0.420842 0.694259 O\n0.549312 0.736826 0.788663 O\n0.426422 0.170279 0.576092 O\n0.573578 0.829721 0.423908 O\n0.393898 0.129927 0.865957 O\n0.101950 0.963583 0.238841 O\n0.606102 0.870073 0.134043 O\n0.069915 0.335387 0.112591 O\n0.979222 0.194408 0.398325 O\n0.020778 0.805592 0.601675 O\n0.256545 0.583416 0.367858 O\n0.740284 0.579158 0.305741 O\n0.743455 0.416584 0.632142 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Mg",
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"O"
],
"chemical_system": "Co-Mg-O-P-Sr",
"density": 3.725945916884731,
"density_atomic": 0.08084686175202242,
"volume": 321.5956616813218,
"volume_molar": 7.448824394039455,
"formula_full": "Sr2 Mg2 Co2 P4 O16",
"formula_reduced": "SrMgCo(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -104.84547685,
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"energy_above_hull": null,
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"energy_uncorrected": -90.57747685,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.691000Z",
"spacegroup": 2
},
{
"id": "mp-1046414",
"created_at": "2022-09-04T14:40:17.486400Z",
"structure_string": "Sr2 Mg2 Cr2 P4 O16\n1.0\n5.544207 -0.039596 -1.135800\n-1.486221 6.254638 -2.358553\n-0.106489 0.049680 9.374285\nSr Mg Cr P O\n2 2 2 4 16\ndirect\n0.257131 0.802462 0.054569 Sr\n0.742869 0.197538 0.945431 Sr\n0.992728 0.391998 0.648435 Mg\n0.007272 0.608002 0.351565 Mg\n0.640968 0.843557 0.548462 Cr\n0.359032 0.156443 0.451538 Cr\n0.390820 0.423442 0.235185 P\n0.609180 0.576558 0.764815 P\n0.837700 0.022818 0.298256 P\n0.162300 0.977182 0.701744 P\n0.820541 0.555247 0.889962 O\n0.653301 0.477708 0.212764 O\n0.661529 0.802297 0.760165 O\n0.953245 0.107883 0.687791 O\n0.346699 0.522292 0.787236 O\n0.036040 0.740897 0.585728 O\n0.963960 0.259103 0.414272 O\n0.261699 0.002144 0.872776 O\n0.338471 0.197703 0.239835 O\n0.738301 0.997856 0.127224 O\n0.179459 0.444753 0.110038 O\n0.366838 0.584072 0.395242 O\n0.633162 0.415928 0.604758 O\n0.621354 0.928929 0.353199 O\n0.046755 0.892117 0.312209 O\n0.378646 0.071070 0.646801 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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],
"chemical_system": "Cr-Mg-O-P-Sr",
"density": 3.621739699390511,
"density_atomic": 0.08012634305153254,
"volume": 324.4875406740868,
"volume_molar": 7.5158063261752925,
"formula_full": "Sr2 Mg2 Cr2 P4 O16",
"formula_reduced": "SrMgCr(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -203.09811054,
"energy_per_atom": -7.81146579,
"energy_above_hull": null,
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"energy_uncorrected": -188.10811054,
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"updated_at": "2021-11-28T01:34:54.615000Z",
"spacegroup": 2
},
{
"id": "mp-1372858",
"created_at": "2022-09-04T14:45:30.437186Z",
"structure_string": "Sr2 Mg2 Cr2 P4 O16\n1.0\n5.659491 0.000000 0.000000\n-1.026370 6.770428 0.000000\n-1.985987 -3.497431 8.468462\nSr Mg Cr P O\n2 2 2 4 16\ndirect\n0.202562 0.747893 0.054569 Sr\n0.797438 0.252107 0.945431 Sr\n0.344293 0.743563 0.648435 Mg\n0.655707 0.256437 0.351565 Mg\n0.092506 0.295095 0.548462 Cr\n0.907494 0.704905 0.451538 Cr\n0.155635 0.188257 0.235185 P\n0.844365 0.811743 0.764815 P\n0.539444 0.724562 0.298256 P\n0.460556 0.275438 0.701744 P\n0.930579 0.665286 0.889962 O\n0.440537 0.264944 0.212764 O\n0.901364 0.042132 0.760165 O\n0.265455 0.420092 0.687791 O\n0.559463 0.735056 0.787236 O\n0.450312 0.155169 0.585728 O\n0.549688 0.844831 0.414272 O\n0.388922 0.129368 0.872776 O\n0.098636 0.957868 0.239835 O\n0.611078 0.870632 0.127224 O\n0.069421 0.334714 0.110038 O\n0.971596 0.188830 0.395242 O\n0.028404 0.811170 0.604758 O\n0.268156 0.575731 0.353199 O\n0.734545 0.579908 0.312209 O\n0.731844 0.424269 0.646801 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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],
"chemical_system": "Cr-Mg-O-P-Sr",
"density": 3.6217395761460964,
"density_atomic": 0.08012634032490802,
"volume": 324.48755171609474,
"volume_molar": 7.515806581931162,
"formula_full": "Sr2 Mg2 Cr2 P4 O16",
"formula_reduced": "SrMgCr(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -110.67353581000002,
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"energy_uncorrected": -95.68353581,
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"updated_at": "2021-11-28T01:36:58.652000Z",
"spacegroup": 2
},
{
"id": "mp-1341934",
"created_at": "2022-09-04T14:42:46.510400Z",
"structure_string": "Sr2 Mg2 Cu2 P4 O16\n1.0\n5.652540 0.000000 0.000000\n-1.103380 6.660968 0.000000\n-1.955666 -3.398904 8.355348\nSr Mg Cu P O\n2 2 2 4 16\ndirect\n0.200663 0.744387 0.059677 Sr\n0.799337 0.255613 0.940323 Sr\n0.341540 0.754033 0.648014 Mg\n0.658460 0.245967 0.351986 Mg\n0.096534 0.303109 0.546829 Cu\n0.903466 0.696891 0.453171 Cu\n0.153958 0.185180 0.242421 P\n0.846042 0.814820 0.757579 P\n0.540645 0.726298 0.301121 P\n0.459355 0.273702 0.698879 P\n0.946922 0.673725 0.880201 O\n0.442471 0.269120 0.208704 O\n0.906965 0.050324 0.750367 O\n0.267333 0.420937 0.680536 O\n0.557529 0.730880 0.791296 O\n0.448723 0.142135 0.588342 O\n0.551277 0.857865 0.411658 O\n0.385592 0.132131 0.874584 O\n0.093035 0.949676 0.249633 O\n0.614408 0.867869 0.125416 O\n0.053078 0.326275 0.119799 O\n0.977380 0.190244 0.404224 O\n0.022620 0.809756 0.595776 O\n0.267434 0.573685 0.355652 O\n0.732667 0.579063 0.319464 O\n0.732566 0.426315 0.644348 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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],
"chemical_system": "Cu-Mg-O-P-Sr",
"density": 3.857610835550426,
"density_atomic": 0.08264713695897817,
"volume": 314.59044991365005,
"volume_molar": 7.2865691197374245,
"formula_full": "Sr2 Mg2 Cu2 P4 O16",
"formula_reduced": "SrMgCu(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -91.46809191,
"energy_per_atom": -3.518003535,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:49.008000Z",
"spacegroup": 2
},
{
"id": "mp-1046153",
"created_at": "2022-09-04T14:40:32.479780Z",
"structure_string": "Sr2 Mg2 Cu2 P4 O16\n1.0\n5.538734 -0.070836 -1.126330\n-1.513897 6.166587 -2.295054\n-0.118079 0.084218 9.228650\nSr Mg Cu P O\n2 2 2 4 16\ndirect\n0.260341 0.804065 0.059677 Sr\n0.739659 0.195935 0.940323 Sr\n0.989554 0.402047 0.648014 Mg\n0.010446 0.597953 0.351986 Mg\n0.643363 0.849938 0.546829 Cu\n0.356637 0.150062 0.453171 Cu\n0.396379 0.427601 0.242421 P\n0.603621 0.572399 0.757579 P\n0.841766 0.027419 0.301121 P\n0.158234 0.972581 0.698879 P\n0.827123 0.553926 0.880201 O\n0.651175 0.477824 0.208704 O\n0.657331 0.800691 0.750367 O\n0.947868 0.101473 0.680536 O\n0.348825 0.522176 0.791296 O\n0.037064 0.730477 0.588342 O\n0.962936 0.269523 0.411658 O\n0.260176 0.006715 0.874584 O\n0.342669 0.199309 0.249633 O\n0.739824 0.993285 0.125416 O\n0.172877 0.446074 0.119799 O\n0.381604 0.594468 0.404224 O\n0.618396 0.405532 0.595776 O\n0.623086 0.929336 0.355652 O\n0.052132 0.898527 0.319464 O\n0.376914 0.070664 0.644348 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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],
"chemical_system": "Cu-Mg-O-P-Sr",
"density": 3.8576103387301997,
"density_atomic": 0.08264712631488498,
"volume": 314.59049042963915,
"volume_molar": 7.286570058172,
"formula_full": "Sr2 Mg2 Cu2 P4 O16",
"formula_reduced": "SrMgCu(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -187.14058154,
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"energy_uncorrected": -176.14858154,
"band_gap": 0.6575000000000002,
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"updated_at": "2021-11-28T01:34:56.252000Z",
"spacegroup": 2
},
{
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{
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{
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}