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"results": [
{
"id": "mp-1042039",
"created_at": "2022-09-04T14:44:04.507153Z",
"structure_string": "Mg2 Cr2 P4 O14\n1.0\n5.479820 -0.063046 0.238456\n2.065819 6.105378 0.938549\n0.060658 0.099456 7.515783\nMg Cr P O\n2 2 4 14\ndirect\n0.330187 0.656423 0.645368 Mg\n0.669827 0.343600 0.354550 Mg\n0.279402 0.158934 0.177249 Cr\n0.720155 0.841097 0.823248 Cr\n0.184777 0.685546 0.091473 P\n0.815246 0.314408 0.908449 P\n0.221378 0.200035 0.617754 P\n0.778717 0.799941 0.382242 P\n0.101946 0.689721 0.897194 O\n0.897951 0.310297 0.102778 O\n0.301578 0.862981 0.108893 O\n0.698494 0.136982 0.891060 O\n0.355160 0.456391 0.174142 O\n0.644930 0.543559 0.825689 O\n0.608930 0.651242 0.430012 O\n0.391091 0.348744 0.569938 O\n0.024222 0.225048 0.474719 O\n0.975951 0.775041 0.525186 O\n0.084767 0.275540 0.802266 O\n0.619898 0.042149 0.325018 O\n0.380126 0.957840 0.675069 O\n0.915271 0.724475 0.197704 O\n",
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"elements": [
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"formula_full": "Mg2 Cr2 P4 O14",
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{
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"structure_string": "Sr1 Mg30 Cu1 O32\n1.0\n8.578204 0.000000 0.000000\n0.000000 8.578204 0.000000\n0.000000 0.000000 8.651490\nSr Mg Cu O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.244485 0.244485 0.000000 Mg\n0.244485 0.755515 0.000000 Mg\n0.755515 0.244485 0.000000 Mg\n0.755515 0.755515 0.000000 Mg\n0.249298 0.249298 0.500000 Mg\n0.249298 0.750702 0.500000 Mg\n0.750702 0.249298 0.500000 Mg\n0.750702 0.750702 0.500000 Mg\n0.000000 0.247061 0.251810 Mg\n0.000000 0.752939 0.251810 Mg\n0.500000 0.244862 0.255522 Mg\n0.500000 0.755138 0.255522 Mg\n0.000000 0.247061 0.748190 Mg\n0.000000 0.752939 0.748190 Mg\n0.500000 0.244862 0.744478 Mg\n0.500000 0.755138 0.744478 Mg\n0.247061 0.000000 0.251810 Mg\n0.244862 0.500000 0.255522 Mg\n0.752939 0.000000 0.251810 Mg\n0.755138 0.500000 0.255522 Mg\n0.247061 0.000000 0.748190 Mg\n0.244862 0.500000 0.744478 Mg\n0.752939 0.000000 0.748190 Mg\n0.755138 0.500000 0.744478 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.264539 O\n0.000000 0.500000 0.252457 O\n0.500000 0.000000 0.252457 O\n0.500000 0.500000 0.269692 O\n0.000000 0.000000 0.735461 O\n0.000000 0.500000 0.747543 O\n0.500000 0.000000 0.747543 O\n0.500000 0.500000 0.730308 O\n0.250061 0.250061 0.249134 O\n0.250061 0.749939 0.249134 O\n0.749939 0.250061 0.249134 O\n0.749939 0.749939 0.249134 O\n0.250061 0.250061 0.750866 O\n0.250061 0.749939 0.750866 O\n0.749939 0.250061 0.750866 O\n0.749939 0.749939 0.750866 O\n0.000000 0.243974 0.000000 O\n0.000000 0.756026 0.000000 O\n0.500000 0.229334 0.000000 O\n0.500000 0.770666 0.000000 O\n0.000000 0.251410 0.500000 O\n0.000000 0.748590 0.500000 O\n0.500000 0.246735 0.500000 O\n0.500000 0.753265 0.500000 O\n0.243974 0.000000 0.000000 O\n0.229334 0.500000 0.000000 O\n0.756026 0.000000 0.000000 O\n0.770666 0.500000 0.000000 O\n0.251410 0.000000 0.500000 O\n0.246735 0.500000 0.500000 O\n0.748590 0.000000 0.500000 O\n0.753265 0.500000 0.500000 O\n",
"nsites": 64,
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"elements": [
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"O"
],
"chemical_system": "Cu-Mg-O-Sr",
"density": 3.631593851729386,
"density_atomic": 0.10053014841466666,
"volume": 636.6249429575381,
"volume_molar": 5.9903828403394765,
"formula_full": "Sr1 Mg30 Cu1 O32",
"formula_reduced": "SrMg30CuO32",
"formula_anonymous": "ABC30D32",
"energy": -400.36552139,
"energy_per_atom": -6.25571127171875,
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"updated_at": "2021-11-28T01:36:24.117000Z",
"spacegroup": 123
},
{
"id": "mp-1176964",
"created_at": "2022-09-04T14:44:04.569832Z",
"structure_string": "Li6 Mn1 V3 P6 O24\n1.0\n8.456037 0.000000 0.000000\n3.932446 7.645556 0.000000\n4.092254 2.546968 7.178929\nLi Mn V P O\n6 1 3 6 24\ndirect\n0.255220 0.125444 0.841827 Li\n0.996893 0.501109 0.999291 Li\n0.127568 0.257892 0.340518 Li\n0.871731 0.741498 0.661646 Li\n0.499313 0.999841 0.500648 Li\n0.742300 0.873596 0.158740 Li\n0.856021 0.362459 0.850781 Mn\n0.635991 0.145414 0.644860 V\n0.362972 0.854764 0.354951 V\n0.146327 0.636429 0.142844 V\n0.550443 0.752789 0.963092 P\n0.949836 0.048833 0.248346 P\n0.247911 0.450103 0.537028 P\n0.749851 0.548880 0.463977 P\n0.051729 0.948764 0.749752 P\n0.452895 0.249896 0.036198 P\n0.465817 0.187652 0.889033 O\n0.030575 0.108929 0.798489 O\n0.617278 0.319666 0.974397 O\n0.763138 0.062494 0.416654 O\n0.747742 0.612338 0.924050 O\n0.393487 0.255639 0.579014 O\n0.081317 0.453965 0.728096 O\n0.116437 0.021367 0.298659 O\n0.062221 0.762067 0.916865 O\n0.681741 0.385754 0.526563 O\n0.458422 0.086161 0.225717 O\n0.810592 0.538019 0.612609 O\n0.185926 0.464286 0.388979 O\n0.540036 0.917265 0.774308 O\n0.315644 0.612123 0.479355 O\n0.941715 0.234099 0.078817 O\n0.883503 0.978875 0.700970 O\n0.913617 0.544366 0.274573 O\n0.604288 0.744223 0.422028 O\n0.256337 0.395131 0.076964 O\n0.238115 0.935029 0.580976 O\n0.387624 0.681274 0.024680 O\n0.976576 0.884180 0.201704 O\n0.530849 0.817388 0.112003 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.931047790136588,
"density_atomic": 0.08618355113392383,
"volume": 464.12568841405147,
"volume_molar": 6.987575564903298,
"formula_full": "Li6 Mn1 V3 P6 O24",
"formula_reduced": "Li6MnV3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -305.182279,
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"updated_at": "2021-11-28T01:36:29.282000Z",
"spacegroup": 1
},
{
"id": "mp-1026605",
"created_at": "2022-09-04T14:44:04.589819Z",
"structure_string": "Cs1 Mg14 Cr1\n1.0\n6.518898 0.011573 0.000000\n-3.249426 5.628171 0.000000\n0.000000 0.000000 10.725881\nCs Mg Cr\n1 14 1\ndirect\n0.163066 0.331532 0.125000 Cs\n0.167286 0.333643 0.625000 Mg\n0.163171 0.831585 0.625000 Mg\n0.662187 0.327672 0.125000 Mg\n0.666722 0.336425 0.625000 Mg\n0.662187 0.834514 0.125000 Mg\n0.666722 0.830295 0.625000 Mg\n0.338879 0.159224 0.389009 Mg\n0.338879 0.159224 0.860991 Mg\n0.338879 0.679656 0.389009 Mg\n0.338879 0.679656 0.860991 Mg\n0.822348 0.161175 0.394567 Mg\n0.822348 0.161175 0.855433 Mg\n0.837704 0.668852 0.366719 Mg\n0.837704 0.668852 0.883281 Mg\n0.173039 0.836519 0.125000 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Cr"
],
"chemical_system": "Cr-Cs-Mg",
"density": 2.213762034785623,
"density_atomic": 0.0406163252034449,
"volume": 393.9302711374526,
"volume_molar": 14.826897140091907,
"formula_full": "Cs1 Mg14 Cr1",
"formula_reduced": "CsMg14Cr",
"formula_anonymous": "ABC14",
"energy": -28.85858001,
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"updated_at": "2021-11-28T01:36:25.705000Z",
"spacegroup": 38
},
{
"id": "mp-829947",
"created_at": "2022-09-04T14:44:04.895199Z",
"structure_string": "V5 Fe1 P6 O24\n1.0\n7.415208 -4.312928 0.000000\n7.415208 4.312928 0.000000\n4.906667 0.000000 7.036425\nV Fe P O\n5 1 6 24\ndirect\n0.000495 0.000495 0.000495 V\n0.644271 0.644271 0.644271 V\n0.500204 0.500204 0.500204 V\n0.856427 0.856427 0.856427 V\n0.356298 0.356298 0.356298 V\n0.145209 0.145209 0.145209 Fe\n0.956921 0.249679 0.543223 P\n0.543223 0.956921 0.249679 P\n0.249679 0.543223 0.956921 P\n0.749880 0.456317 0.042718 P\n0.456317 0.042718 0.749880 P\n0.042718 0.749880 0.456317 P\n0.504771 0.116377 0.311562 O\n0.311562 0.504771 0.116377 O\n0.116377 0.311562 0.504771 O\n0.940453 0.087734 0.740761 O\n0.991956 0.188738 0.387079 O\n0.760575 0.413727 0.562195 O\n0.740761 0.940453 0.087734 O\n0.562195 0.760575 0.413727 O\n0.810498 0.615546 0.005315 O\n0.413727 0.562195 0.760575 O\n0.910621 0.261360 0.056532 O\n0.615546 0.005315 0.810498 O\n0.387079 0.991956 0.188738 O\n0.087734 0.740761 0.940453 O\n0.586020 0.440095 0.239393 O\n0.188738 0.387079 0.991956 O\n0.440095 0.239393 0.586020 O\n0.261360 0.056532 0.910621 O\n0.239393 0.586020 0.440095 O\n0.005315 0.810498 0.615546 O\n0.056532 0.910621 0.261360 O\n0.885083 0.683016 0.498965 O\n0.683016 0.498965 0.885083 O\n0.498965 0.885083 0.683016 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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],
"chemical_system": "Fe-O-P-V",
"density": 3.2481942443904983,
"density_atomic": 0.07998801075937834,
"volume": 450.06744958686346,
"volume_molar": 7.528804258073045,
"formula_full": "V5 Fe1 P6 O24",
"formula_reduced": "V5Fe(PO4)6",
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"energy": -297.78046571000004,
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"updated_at": "2021-11-28T01:36:26.214000Z",
"spacegroup": 146
},
{
"id": "mp-1174930",
"created_at": "2022-09-04T14:44:05.002311Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.883595 0.000000 0.000000\n-2.936186 5.103996 0.000000\n-1.372314 -2.446581 7.120655\nLi Mn Co O\n7 2 3 12\ndirect\n0.502853 0.835202 0.337784 Li\n0.495280 0.664102 0.665476 Li\n0.502870 0.333734 0.334372 Li\n0.485826 0.149960 0.657662 Li\n0.501808 0.002116 0.999773 Li\n0.504946 0.505893 0.003871 Li\n0.003760 0.833546 0.333354 Li\n0.003626 0.000625 0.004407 Mn\n0.001207 0.334122 0.334339 Mn\n0.992435 0.669295 0.656094 Co\n0.000680 0.512231 0.002305 Co\n0.000999 0.161249 0.663367 Co\n0.221186 0.249434 0.502562 O\n0.233187 0.076053 0.837245 O\n0.231045 0.717412 0.491615 O\n0.216840 0.572878 0.831934 O\n0.228339 0.393101 0.166975 O\n0.230519 0.918903 0.150971 O\n0.783996 0.415944 0.168344 O\n0.764550 0.253509 0.491099 O\n0.780601 0.948221 0.166708 O\n0.765164 0.747438 0.512986 O\n0.769049 0.614381 0.850647 O\n0.779234 0.090651 0.836108 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.0944649293341655,
"density_atomic": 0.11223755611006549,
"volume": 213.8321684095158,
"volume_molar": 5.365530904908872,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
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"energy": -157.68385789,
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"updated_at": "2021-11-28T01:36:33.234000Z",
"spacegroup": 1
},
{
"id": "mp-766727",
"created_at": "2022-09-04T14:44:04.696414Z",
"structure_string": "Li10 Fe22 O32\n1.0\n12.099181 0.000000 0.000000\n0.000000 6.092754 0.000000\n0.000000 6.095583 8.534584\nLi Fe O\n10 22 32\ndirect\n0.126664 0.011525 0.741365 Li\n0.626664 0.988475 0.758635 Li\n0.746023 0.508529 0.999343 Li\n0.500000 0.500000 0.000000 Li\n0.253977 0.491471 0.000657 Li\n0.873336 0.988475 0.258635 Li\n0.373336 0.011525 0.241365 Li\n0.000000 0.500000 0.500000 Li\n0.246023 0.491471 0.500657 Li\n0.753977 0.508529 0.499343 Li\n0.127883 0.506921 0.740332 Fe\n0.373801 0.495254 0.754452 Fe\n0.873801 0.504746 0.745548 Fe\n0.627883 0.493079 0.759668 Fe\n0.371640 0.989946 0.758328 Fe\n0.871640 0.010054 0.741672 Fe\n0.749205 0.005305 0.000000 Fe\n0.250795 0.994695 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.626199 0.504746 0.245548 Fe\n0.126199 0.495254 0.254452 Fe\n0.628360 0.010054 0.241672 Fe\n0.872117 0.493079 0.259668 Fe\n0.372117 0.506921 0.240332 Fe\n0.128360 0.989946 0.258328 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.750795 0.005305 0.500000 Fe\n0.249205 0.994695 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.501862 0.269868 0.746498 O\n0.249856 0.270134 0.744915 O\n0.749286 0.275340 0.745567 O\n0.000798 0.257645 0.757909 O\n0.500798 0.742355 0.742091 O\n0.001862 0.730132 0.753502 O\n0.249286 0.724660 0.754433 O\n0.749856 0.729866 0.755085 O\n0.625292 0.755082 0.011007 O\n0.120927 0.754821 0.009857 O\n0.119733 0.238880 0.999506 O\n0.624170 0.264566 0.996325 O\n0.879073 0.245179 0.990143 O\n0.880267 0.761120 0.000494 O\n0.374708 0.244918 0.988993 O\n0.375830 0.735434 0.003675 O\n0.250144 0.270134 0.244915 O\n0.998138 0.269868 0.246498 O\n0.750714 0.275340 0.245567 O\n0.499202 0.257645 0.257909 O\n0.250714 0.724660 0.254433 O\n0.999202 0.742355 0.242091 O\n0.750144 0.729866 0.255085 O\n0.498138 0.730132 0.253502 O\n0.379073 0.754821 0.509857 O\n0.875830 0.264566 0.496325 O\n0.380267 0.238880 0.499506 O\n0.874708 0.755082 0.511007 O\n0.619733 0.761120 0.500494 O\n0.125292 0.244918 0.488993 O\n0.620927 0.245179 0.490143 O\n0.124170 0.735434 0.503675 O\n",
"nsites": 64,
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"elements": [
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],
"chemical_system": "Fe-Li-O",
"density": 4.777174341887544,
"density_atomic": 0.10172507052220325,
"volume": 629.1467744525269,
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"formula_full": "Li10 Fe22 O32",
"formula_reduced": "Li5Fe11O16",
"formula_anonymous": "A5B11C16",
"energy": -475.84223705,
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"updated_at": "2021-11-28T01:36:34.748000Z",
"spacegroup": 14
},
{
"id": "mp-1044491",
"created_at": "2022-09-04T14:44:04.827873Z",
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