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{
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"results": [
{
"id": "mp-778249",
"created_at": "2022-09-04T14:47:23.176465Z",
"structure_string": "Li4 Ti1 Ni3 Sn2 P6 O24\n1.0\n9.206275 0.330034 0.362364\n4.930976 7.690659 0.301445\n5.029669 2.794085 7.271756\nLi Ti Ni Sn P O\n4 1 3 2 6 24\ndirect\n0.790074 0.136302 0.395856 Li\n0.289357 0.909594 0.634296 Li\n0.647386 0.288512 0.904120 Li\n0.894582 0.650134 0.297292 Li\n0.854511 0.840352 0.856209 Ti\n0.159257 0.150389 0.155006 Ni\n0.331542 0.347800 0.322500 Ni\n0.644994 0.652264 0.656958 Ni\n0.046182 0.014820 0.008403 Sn\n0.445898 0.501878 0.475359 Sn\n0.032737 0.747522 0.456834 P\n0.463380 0.033385 0.750072 P\n0.240029 0.542321 0.959040 P\n0.539365 0.957849 0.242595 P\n0.951153 0.241237 0.539015 P\n0.749058 0.453655 0.037172 P\n0.155282 0.188415 0.515021 O\n0.181314 0.549425 0.151430 O\n0.104359 0.900931 0.260774 O\n0.535383 0.156631 0.186428 O\n0.997084 0.796667 0.611061 O\n0.191902 0.544929 0.466661 O\n0.266807 0.121252 0.890783 O\n0.504951 0.192531 0.546118 O\n0.202304 0.387687 0.984096 O\n0.547298 0.475328 0.202774 O\n0.111666 0.743459 0.853903 O\n0.383846 0.968700 0.219036 O\n0.622913 0.963493 0.810771 O\n0.888572 0.250919 0.117354 O\n0.449058 0.523113 0.828174 O\n0.816275 0.602265 0.990025 O\n0.532635 0.823204 0.445103 O\n0.742693 0.860145 0.104545 O\n0.823028 0.447200 0.528560 O\n0.953560 0.207795 0.392677 O\n0.446510 0.876478 0.749872 O\n0.856846 0.105669 0.743607 O\n0.750870 0.460888 0.868561 O\n0.855337 0.761861 0.464940 O\n",
"nsites": 40,
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"elements": [
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"Ni",
"Sn",
"P",
"O"
],
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"density": 3.61265667109428,
"density_atomic": 0.08217851439309481,
"volume": 486.74523134676025,
"volume_molar": 7.328120743572385,
"formula_full": "Li4 Ti1 Ni3 Sn2 P6 O24",
"formula_reduced": "Li4TiNi3Sn2(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -290.97902104,
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"energy_above_hull": null,
"is_stable": null,
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"band_gap": 2.3485,
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"updated_at": "2021-11-28T01:38:01.313000Z",
"spacegroup": 1
},
{
"id": "mp-1354539",
"created_at": "2022-09-04T14:40:10.819565Z",
"structure_string": "Li4 Ti1 Ni3 Sn2 P6 O24\n1.0\n-8.441285 0.000000 0.000000\n4.214083 7.396092 0.000000\n-0.051914 -4.771373 -7.796341\nLi Ti Ni Sn P O\n4 1 3 2 6 24\ndirect\n0.395856 0.863698 0.322232 Li\n0.634296 0.090406 0.833247 Li\n0.904120 0.711488 0.840018 Li\n0.297292 0.349866 0.842008 Li\n0.856209 0.159648 0.551072 Ti\n0.155006 0.849611 0.464652 Ni\n0.322500 0.652200 0.001842 Ni\n0.656958 0.347736 0.954216 Ni\n0.008403 0.985180 0.069405 Sn\n0.475359 0.498122 0.423135 Sn\n0.456834 0.252478 0.237093 P\n0.750072 0.966615 0.246836 P\n0.959040 0.457679 0.741390 P\n0.242595 0.042151 0.739809 P\n0.539015 0.758763 0.731405 P\n0.037172 0.546345 0.239885 P\n0.515021 0.811585 0.858718 O\n0.151430 0.450575 0.882169 O\n0.260774 0.099069 0.266064 O\n0.186428 0.843369 0.878441 O\n0.611061 0.203333 0.404811 O\n0.466661 0.455071 0.203492 O\n0.890783 0.878748 0.278842 O\n0.546118 0.807469 0.243599 O\n0.984096 0.612313 0.574087 O\n0.202774 0.524672 0.225401 O\n0.853903 0.256541 0.709028 O\n0.219036 0.031300 0.571583 O\n0.810771 0.036507 0.397177 O\n0.117354 0.749081 0.256845 O\n0.828174 0.476887 0.800345 O\n0.990025 0.397735 0.408565 O\n0.445103 0.176796 0.800942 O\n0.104545 0.139855 0.707383 O\n0.528560 0.552800 0.798789 O\n0.392677 0.792205 0.554031 O\n0.749872 0.123522 0.072860 O\n0.743607 0.894331 0.706122 O\n0.868561 0.539112 0.080319 O\n0.464940 0.238139 0.082138 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Li",
"Ti",
"Ni",
"Sn",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P-Sn-Ti",
"density": 3.6126567628681707,
"density_atomic": 0.08217851648071141,
"volume": 486.7452189817594,
"volume_molar": 7.328120557412948,
"formula_full": "Li4 Ti1 Ni3 Sn2 P6 O24",
"formula_reduced": "Li4TiNi3Sn2(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -146.88630209,
"energy_per_atom": -3.67215755225,
"energy_above_hull": null,
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"energy_uncorrected": -122.77530209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6327458,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.153000Z",
"spacegroup": 1
},
{
"id": "mp-776756",
"created_at": "2022-09-04T14:43:53.093991Z",
"structure_string": "Li4 Ti1 Mn2 Ni3 P6 O24\n1.0\n8.506469 0.000000 0.000000\n4.033542 7.581879 0.000000\n4.023632 2.468174 7.186948\nLi Ti Mn Ni P O\n4 1 2 3 6 24\ndirect\n0.252110 0.646858 0.848200 Li\n0.708022 0.350060 0.150344 Li\n0.351778 0.148382 0.708409 Li\n0.148686 0.706059 0.351710 Li\n0.147921 0.149039 0.154627 Ti\n0.983214 0.002878 0.997758 Mn\n0.512135 0.499279 0.495009 Mn\n0.855675 0.853302 0.851011 Ni\n0.643740 0.647898 0.643855 Ni\n0.355233 0.349991 0.353457 Ni\n0.754522 0.042041 0.455259 P\n0.447225 0.752383 0.040907 P\n0.050620 0.456775 0.755556 P\n0.953447 0.552568 0.255228 P\n0.552470 0.251611 0.954111 P\n0.252578 0.953468 0.554236 P\n0.882353 0.496248 0.709546 O\n0.698461 0.888184 0.477829 O\n0.949317 0.733445 0.086359 O\n0.449039 0.701040 0.892047 O\n0.011881 0.382070 0.191311 O\n0.761957 0.558121 0.405870 O\n0.740652 0.096548 0.924997 O\n0.532312 0.416346 0.772735 O\n0.825327 0.006945 0.602835 O\n0.401645 0.758455 0.561688 O\n0.907721 0.080789 0.250762 O\n0.608758 0.813317 0.989048 O\n0.383274 0.180990 0.018960 O\n0.099279 0.925992 0.746726 O\n0.596326 0.239659 0.433506 O\n0.184674 0.011306 0.387766 O\n0.434872 0.592735 0.236514 O\n0.246918 0.908601 0.085078 O\n0.244729 0.428158 0.595137 O\n0.039925 0.602495 0.816423 O\n0.529777 0.311937 0.106515 O\n0.078719 0.254170 0.911672 O\n0.317300 0.104610 0.526906 O\n0.105413 0.522246 0.323095 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Li",
"Ti",
"Mn",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Mn-Ni-O-P-Ti",
"density": 3.3367361400692235,
"density_atomic": 0.08629573178127078,
"volume": 463.52234547805773,
"volume_molar": 6.978492024685534,
"formula_full": "Li4 Ti1 Mn2 Ni3 P6 O24",
"formula_reduced": "Li4TiMn2Ni3(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -302.28661407,
"energy_per_atom": -7.557165351749999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -274.83961407,
"band_gap": 2.2646,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.426000Z",
"spacegroup": 1
},
{
"id": "mp-720669",
"created_at": "2022-09-04T14:45:08.349651Z",
"structure_string": "Li4 Ti4 Mn2 Cr4 P12 O48\n1.0\n8.622354 0.000000 0.000000\n-4.311145 7.491567 0.000000\n-4.251484 -2.512136 14.094894\nLi Ti Mn Cr P O\n4 4 2 4 12 48\ndirect\n0.008669 0.012319 0.001587 Li\n0.489518 0.238789 0.750795 Li\n0.743636 0.570786 0.929435 Li\n0.359464 0.477496 0.625547 Li\n0.858965 0.211777 0.071722 Ti\n0.643854 0.041085 0.680177 Ti\n0.352559 0.969803 0.321133 Ti\n0.151075 0.789952 0.927823 Ti\n0.986960 0.496547 0.493596 Mn\n0.505046 0.749870 0.251243 Mn\n0.642163 0.533637 0.179625 Cr\n0.859442 0.716679 0.570401 Cr\n0.140902 0.284252 0.428182 Cr\n0.356144 0.461415 0.822076 Cr\n0.249593 0.274921 0.229739 P\n0.955792 0.834444 0.374795 P\n0.546268 0.768751 0.021584 P\n0.462011 0.731170 0.479722 P\n0.039645 0.663673 0.125103 P\n0.249758 0.765436 0.725845 P\n0.750279 0.230411 0.271134 P\n0.958329 0.334514 0.875458 P\n0.541439 0.274410 0.522420 P\n0.460932 0.231379 0.980896 P\n0.041644 0.165699 0.625563 P\n0.750636 0.730754 0.769262 P\n0.692546 0.370020 0.254948 O\n0.490708 0.362126 0.061000 O\n0.086817 0.192136 0.133712 O\n0.880246 0.657542 0.152478 O\n0.196201 0.318516 0.310653 O\n0.415164 0.457313 0.221232 O\n0.944801 0.721114 0.455732 O\n0.764006 0.733495 0.292678 O\n0.619280 0.691180 0.495601 O\n0.554756 0.702586 0.118083 O\n0.272148 0.558964 0.479852 O\n0.999296 0.471475 0.098175 O\n0.991759 0.020184 0.403994 O\n0.696684 0.875554 0.749501 O\n0.733345 0.946668 0.031955 O\n0.435036 0.795117 0.382149 O\n0.375816 0.798858 0.995937 O\n0.504029 0.871327 0.561321 O\n0.235951 0.766921 0.205395 O\n0.083495 0.689261 0.630755 O\n0.877570 0.153275 0.653387 O\n0.192265 0.800882 0.810008 O\n0.048184 0.762340 0.037824 O\n0.413725 0.951682 0.720545 O\n0.585797 0.043035 0.279363 O\n0.937236 0.226469 0.958309 O\n0.809141 0.190241 0.190108 O\n0.120061 0.848072 0.344225 O\n0.914559 0.308628 0.368252 O\n0.766482 0.233274 0.792566 O\n0.491739 0.133823 0.437649 O\n0.625180 0.194830 0.002984 O\n0.563220 0.201562 0.616496 O\n0.268009 0.053225 0.966335 O\n0.308233 0.130825 0.250965 O\n0.008663 0.981193 0.597134 O\n0.989772 0.524219 0.903202 O\n0.734672 0.442071 0.527049 O\n0.462696 0.310865 0.887436 O\n0.385454 0.317434 0.510563 O\n0.238870 0.274966 0.704537 O\n0.065090 0.286559 0.545993 O\n0.581948 0.546999 0.776821 O\n0.802515 0.683852 0.688494 O\n0.121069 0.345554 0.849697 O\n0.906076 0.796427 0.868445 O\n0.521867 0.636114 0.943105 O\n0.306105 0.622759 0.739991 O\n",
"nsites": 74,
"nelements": 6,
"elements": [
"Li",
"Ti",
"Mn",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-Mn-O-P-Ti",
"density": 3.0581358862752013,
"density_atomic": 0.08127769680484846,
"volume": 910.4588701335551,
"volume_molar": 7.409339827209228,
"formula_full": "Li4 Ti4 Mn2 Cr4 P12 O48",
"formula_reduced": "Li2Ti2MnCr2(PO4)6",
"formula_anonymous": "AB2C2D2E6F24",
"energy": -605.8817671,
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"energy_above_hull": null,
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"energy_uncorrected": -561.5737671,
"band_gap": 2.3555,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.893000Z",
"spacegroup": 1
},
{
"id": "mp-1333943",
"created_at": "2022-09-04T14:46:55.582387Z",
"structure_string": "Li4 Ti4 Mn2 Cr4 P12 O48\n1.0\n8.622354 0.000000 0.000000\n4.311209 7.491567 0.000000\n4.251484 2.512136 14.094894\nLi Ti Mn Cr P O\n4 4 2 4 12 48\ndirect\n0.991331 0.987681 0.001587 Li\n0.510482 0.761211 0.750795 Li\n0.256364 0.429214 0.929435 Li\n0.640536 0.522504 0.625547 Li\n0.141035 0.788223 0.071722 Ti\n0.356146 0.958915 0.680177 Ti\n0.647441 0.030197 0.321133 Ti\n0.848925 0.210048 0.927823 Ti\n0.013040 0.503453 0.493596 Mn\n0.494954 0.250130 0.251243 Mn\n0.357837 0.466363 0.179625 Cr\n0.140558 0.283321 0.570401 Cr\n0.859098 0.715748 0.428182 Cr\n0.643856 0.538585 0.822076 Cr\n0.750407 0.725079 0.229739 P\n0.044208 0.165556 0.374795 P\n0.453732 0.231249 0.021584 P\n0.537989 0.268830 0.479722 P\n0.960355 0.336327 0.125103 P\n0.750242 0.234564 0.725845 P\n0.249721 0.769589 0.271134 P\n0.041671 0.665486 0.875458 P\n0.458561 0.725590 0.522420 P\n0.539068 0.768621 0.980896 P\n0.958356 0.834301 0.625563 P\n0.249364 0.269246 0.769262 P\n0.307454 0.629980 0.254948 O\n0.509292 0.637874 0.061000 O\n0.913183 0.807864 0.133712 O\n0.119754 0.342458 0.152478 O\n0.803799 0.681484 0.310653 O\n0.584836 0.542687 0.221232 O\n0.055199 0.278886 0.455732 O\n0.235994 0.266505 0.292678 O\n0.380720 0.308820 0.495601 O\n0.445244 0.297414 0.118083 O\n0.727852 0.441036 0.479852 O\n0.000704 0.528525 0.098175 O\n0.008241 0.979816 0.403994 O\n0.303316 0.124446 0.749501 O\n0.266655 0.053332 0.031955 O\n0.564964 0.204883 0.382149 O\n0.624184 0.201142 0.995937 O\n0.495971 0.128673 0.561321 O\n0.764049 0.233079 0.205395 O\n0.916505 0.310739 0.630755 O\n0.122430 0.846725 0.653387 O\n0.807735 0.199119 0.810008 O\n0.951816 0.237660 0.037824 O\n0.586275 0.048318 0.720545 O\n0.414203 0.956965 0.279363 O\n0.062764 0.773531 0.958309 O\n0.190859 0.809759 0.190108 O\n0.879939 0.151928 0.344225 O\n0.085441 0.691372 0.368252 O\n0.233518 0.766726 0.792566 O\n0.508261 0.866177 0.437649 O\n0.374820 0.805170 0.002984 O\n0.436780 0.798438 0.616496 O\n0.731991 0.946775 0.966335 O\n0.691767 0.869175 0.250965 O\n0.991337 0.018807 0.597134 O\n0.010228 0.475781 0.903202 O\n0.265328 0.557929 0.527049 O\n0.537304 0.689135 0.887436 O\n0.614546 0.682566 0.510563 O\n0.761130 0.725034 0.704537 O\n0.934910 0.713441 0.545993 O\n0.418052 0.453001 0.776821 O\n0.197485 0.316148 0.688494 O\n0.878931 0.654446 0.849697 O\n0.093924 0.203573 0.868445 O\n0.478133 0.363886 0.943105 O\n0.693895 0.377241 0.739991 O\n",
"nsites": 74,
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"elements": [
"Li",
"Ti",
"Mn",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-Mn-O-P-Ti",
"density": 3.0581358862752013,
"density_atomic": 0.08127769680484846,
"volume": 910.4588701335551,
"volume_molar": 7.409339827209228,
"formula_full": "Li4 Ti4 Mn2 Cr4 P12 O48",
"formula_reduced": "Li2Ti2MnCr2(PO4)6",
"formula_anonymous": "AB2C2D2E6F24",
"energy": -341.51448942,
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"updated_at": "2021-11-28T01:37:50.702000Z",
"spacegroup": 1
},
{
"id": "mp-776576",
"created_at": "2022-09-04T14:44:09.170535Z",
"structure_string": "Li2 Ti2 Mn1 Cr2 P6 O24\n1.0\n8.601045 0.000000 0.000000\n4.286581 7.497222 0.000000\n4.294903 2.508506 7.063373\nLi Ti Mn Cr P O\n2 2 1 2 6 24\ndirect\n0.004749 0.988684 0.998072 Li\n0.762543 0.352240 0.136489 Li\n0.567931 0.138718 0.144733 Ti\n0.424143 0.858117 0.857889 Ti\n0.496424 0.502317 0.509435 Mn\n0.930133 0.356761 0.358545 Cr\n0.073089 0.645124 0.639671 Cr\n0.751096 0.460680 0.748541 P\n0.243019 0.251884 0.958467 P\n0.246584 0.959617 0.543127 P\n0.750792 0.039767 0.459714 P\n0.751947 0.751357 0.037465 P\n0.252886 0.540632 0.250951 P\n0.067137 0.117129 0.508548 O\n0.075117 0.503674 0.302992 O\n0.753400 0.275032 0.923256 O\n0.571866 0.625439 0.803330 O\n0.244518 0.937491 0.732862 O\n0.055889 0.305884 0.114700 O\n0.417807 0.197091 0.009463 O\n0.735269 0.440344 0.588285 O\n0.264442 0.415476 0.765942 O\n0.244645 0.085010 0.935942 O\n0.426641 0.004192 0.378029 O\n0.266862 0.765639 0.554521 O\n0.734292 0.240212 0.434644 O\n0.571688 0.000141 0.621903 O\n0.753401 0.913535 0.066769 O\n0.734911 0.578829 0.227362 O\n0.267292 0.556501 0.414681 O\n0.932197 0.697263 0.879543 O\n0.572241 0.808723 0.995375 O\n0.754833 0.072093 0.263028 O\n0.438234 0.379444 0.193745 O\n0.247693 0.731499 0.084623 O\n0.931880 0.493060 0.695450 O\n0.932412 0.883400 0.488907 O\n",
"nsites": 37,
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"elements": [
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"Mn",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-Mn-O-P-Ti",
"density": 3.0564928423653095,
"density_atomic": 0.08123402875682463,
"volume": 455.4741475491766,
"volume_molar": 7.41332278130311,
"formula_full": "Li2 Ti2 Mn1 Cr2 P6 O24",
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