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{
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"results": [
{
"id": "mp-758706",
"created_at": "2022-09-04T14:45:23.450160Z",
"structure_string": "Li6 Ti3 Cr1 P6 O24\n1.0\n8.577080 0.000000 0.000000\n3.930890 7.657656 0.000000\n4.050876 2.488590 7.253153\nLi Ti Cr P O\n6 3 1 6 24\ndirect\n0.003547 0.974055 0.005312 Li\n0.849327 0.247780 0.654712 Li\n0.492359 0.526672 0.505163 Li\n0.165064 0.768467 0.338368 Li\n0.768804 0.341691 0.162668 Li\n0.334020 0.163538 0.774615 Li\n0.854888 0.852861 0.863664 Ti\n0.640270 0.646253 0.645472 Ti\n0.350442 0.352640 0.350470 Ti\n0.145803 0.147329 0.153577 Cr\n0.248822 0.943590 0.552694 P\n0.940438 0.555375 0.249548 P\n0.548908 0.248229 0.949750 P\n0.459093 0.743638 0.040549 P\n0.040014 0.459109 0.746549 P\n0.747775 0.045783 0.462949 P\n0.693983 0.877525 0.509693 O\n0.511698 0.674995 0.883203 O\n0.078687 0.948432 0.732895 O\n0.882646 0.487142 0.686806 O\n0.405460 0.758276 0.587454 O\n0.202143 0.954582 0.396769 O\n0.927426 0.745420 0.093033 O\n0.760189 0.568192 0.420405 O\n0.579184 0.404247 0.757412 O\n0.617910 0.807266 0.003994 O\n0.269718 0.895299 0.052544 O\n0.997055 0.626719 0.797583 O\n0.950449 0.407085 0.193297 O\n0.740855 0.093786 0.926713 O\n0.391127 0.193455 0.972851 O\n0.438438 0.586778 0.232593 O\n0.230856 0.440855 0.586916 O\n0.058947 0.272681 0.905905 O\n0.797978 0.023938 0.623214 O\n0.587759 0.231020 0.434386 O\n0.111415 0.508438 0.301370 O\n0.909066 0.060812 0.276048 O\n0.513700 0.303626 0.111042 O\n0.304734 0.112419 0.506818 O\n",
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"elements": [
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"formula_full": "Li6 Ti3 Cr1 P6 O24",
"formula_reduced": "Li6Ti3Cr(PO4)6",
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"energy": -308.05551820000005,
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"updated_at": "2021-11-28T01:37:05.652000Z",
"spacegroup": 1
},
{
"id": "mp-25830",
"created_at": "2022-09-04T14:45:24.244393Z",
"structure_string": "Mn4 P6 O22\n1.0\n4.237227 5.913681 0.000000\n-4.237227 5.913681 0.000000\n0.000000 3.714166 8.097674\nMn P O\n4 6 22\ndirect\n0.882412 0.362777 0.456902 Mn\n0.362777 0.882412 0.956902 Mn\n0.637223 0.117588 0.043098 Mn\n0.117588 0.637223 0.543098 Mn\n0.669764 0.548669 0.786342 P\n0.036073 0.963927 0.750000 P\n0.548669 0.669764 0.286342 P\n0.451331 0.330236 0.713658 P\n0.330236 0.451331 0.213658 P\n0.963927 0.036073 0.250000 P\n0.531541 0.842988 0.129387 O\n0.374409 0.711290 0.436942 O\n0.865620 0.984343 0.907144 O\n0.753858 0.610186 0.319560 O\n0.288710 0.625591 0.063058 O\n0.015657 0.134380 0.592856 O\n0.610186 0.753858 0.819560 O\n0.039302 0.761997 0.725244 O\n0.157012 0.468459 0.370613 O\n0.711290 0.374409 0.936942 O\n0.761997 0.039302 0.225244 O\n0.246142 0.389814 0.680440 O\n0.238003 0.960698 0.774756 O\n0.524423 0.475577 0.250000 O\n0.134380 0.015657 0.092856 O\n0.468459 0.157012 0.870613 O\n0.625591 0.288710 0.563058 O\n0.960698 0.238003 0.274756 O\n0.842988 0.531541 0.629387 O\n0.389814 0.246142 0.180440 O\n0.984343 0.865620 0.407144 O\n0.475577 0.524423 0.750000 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mn-O-P",
"density": 3.09990638619135,
"density_atomic": 0.07885333557084721,
"volume": 405.8166946057598,
"volume_molar": 7.637141430230682,
"formula_full": "Mn4 P6 O22",
"formula_reduced": "Mn2P3O11",
"formula_anonymous": "A2B3C11",
"energy": -253.86423097,
"energy_per_atom": -7.9332572178125,
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"updated_at": "2021-11-28T01:37:08.681000Z",
"spacegroup": 15
},
{
"id": "mp-542709",
"created_at": "2022-09-04T14:45:22.569134Z",
"structure_string": "Eu2 Si12\n1.0\n2.249411 -5.092426 0.000000\n2.249411 5.092426 0.000000\n0.000000 0.000000 11.548633\nEu Si\n2 12\ndirect\n0.727014 0.272986 0.750000 Eu\n0.272986 0.727014 0.250000 Eu\n0.752847 0.247153 0.462738 Si\n0.247153 0.752847 0.537262 Si\n0.247153 0.752847 0.962738 Si\n0.752847 0.247153 0.037262 Si\n0.443652 0.556348 0.647050 Si\n0.556348 0.443652 0.352950 Si\n0.556348 0.443652 0.147050 Si\n0.443652 0.556348 0.852950 Si\n0.977866 0.022134 0.397329 Si\n0.022134 0.977866 0.602671 Si\n0.022134 0.977866 0.897329 Si\n0.977866 0.022134 0.102671 Si\n",
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"elements": [
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],
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"density": 4.022738873620659,
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"volume": 264.5782364530136,
"volume_molar": 11.380909871090077,
"formula_full": "Eu2 Si12",
"formula_reduced": "EuSi6",
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"updated_at": "2021-11-28T01:37:11.249000Z",
"spacegroup": 63
},
{
"id": "mp-1193998",
"created_at": "2022-09-04T14:45:22.593631Z",
"structure_string": "Ba2 Te2 S8 O16\n1.0\n5.013695 0.000000 -0.413075\n0.000000 10.895337 0.000000\n0.528706 -5.447669 11.360670\nBa Te S O\n2 2 8 16\ndirect\n0.158458 0.215503 0.431007 Ba\n0.841542 0.784497 0.568993 Ba\n0.762564 0.371913 0.743826 Te\n0.237436 0.628087 0.256174 Te\n0.487813 0.254302 0.837368 S\n0.512187 0.416933 0.162632 S\n0.512187 0.745698 0.162632 S\n0.487813 0.583067 0.837368 S\n0.340357 0.086476 0.681323 S\n0.659643 0.405154 0.318677 S\n0.659643 0.913524 0.318677 S\n0.340357 0.594846 0.681323 S\n0.663598 0.293456 0.586911 O\n0.336402 0.706544 0.413089 O\n0.256208 0.085737 0.171474 O\n0.743792 0.914263 0.828526 O\n0.577814 0.020637 0.619158 O\n0.422186 0.401478 0.380842 O\n0.422186 0.979363 0.380842 O\n0.577814 0.598522 0.619158 O\n0.190505 0.003588 0.724730 O\n0.809495 0.278858 0.275270 O\n0.809495 0.996412 0.275270 O\n0.190505 0.721142 0.724730 O\n0.171598 0.147169 0.619671 O\n0.828402 0.527498 0.380329 O\n0.828402 0.852831 0.380329 O\n0.171598 0.472502 0.619671 O\n",
"nsites": 28,
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"elements": [
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"Te",
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],
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"density": 2.7784598906612086,
"density_atomic": 0.04494625332312128,
"volume": 622.9662748239846,
"volume_molar": 13.398537841867427,
"formula_full": "Ba2 Te2 S8 O16",
"formula_reduced": "BaTe(SO2)4",
"formula_anonymous": "ABC4D8",
"energy": -160.95828432,
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"updated_at": "2021-11-28T01:37:06.513000Z",
"spacegroup": 12
},
{
"id": "mp-20209",
"created_at": "2022-09-04T14:45:22.397474Z",
"structure_string": "Eu8 Re4 O20\n1.0\n8.779626 0.000000 0.000000\n0.000000 8.779626 0.000000\n0.000000 0.000000 5.980279\nEu Re O\n8 4 20\ndirect\n0.853480 0.139897 0.248361 Eu\n0.639897 0.646520 0.248361 Eu\n0.360103 0.353480 0.248361 Eu\n0.146520 0.860103 0.248361 Eu\n0.353480 0.639897 0.751639 Eu\n0.139897 0.146520 0.751639 Eu\n0.860103 0.853480 0.751639 Eu\n0.646520 0.360103 0.751639 Eu\n0.000000 0.500000 0.547728 Re\n0.500000 0.000000 0.452272 Re\n0.000000 0.500000 0.145468 Re\n0.500000 0.000000 0.854532 Re\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.307055 0.911037 0.907913 O\n0.411037 0.192945 0.907913 O\n0.588963 0.807055 0.907913 O\n0.692945 0.088963 0.907913 O\n0.192945 0.588963 0.092087 O\n0.088963 0.307055 0.092087 O\n0.911037 0.692945 0.092087 O\n0.807055 0.411037 0.092087 O\n0.806946 0.588419 0.606846 O\n0.088419 0.693054 0.606846 O\n0.911581 0.306946 0.606846 O\n0.193054 0.411581 0.606846 O\n0.693054 0.911581 0.393154 O\n0.411581 0.806946 0.393154 O\n0.588419 0.193054 0.393154 O\n0.306946 0.088419 0.393154 O\n",
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"elements": [
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],
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"density": 8.215065464889022,
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"volume": 460.9708653765818,
"volume_molar": 8.675098242364955,
"formula_full": "Eu8 Re4 O20",
"formula_reduced": "Eu2ReO5",
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"energy": -320.65840303,
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{
"id": "mp-541103",
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"structure_string": "Mn8 F32\n1.0\n-6.434504 6.434504 3.147870\n6.434504 -6.434504 3.147870\n6.434504 6.434504 -3.147870\nMn F\n8 32\ndirect\n0.243178 0.493488 0.010688 Mn\n0.482489 0.993178 0.249690 Mn\n0.743488 0.232800 0.750310 Mn\n0.482800 0.232489 0.989312 Mn\n0.006822 0.256512 0.489312 Mn\n0.767511 0.756822 0.250310 Mn\n0.506512 0.517200 0.749690 Mn\n0.767200 0.517511 0.510688 Mn\n0.434865 0.541962 0.158957 F\n0.525908 0.184865 0.392904 F\n0.791962 0.133004 0.607096 F\n0.383004 0.275908 0.841043 F\n0.815135 0.208038 0.341043 F\n0.724092 0.565135 0.107096 F\n0.458038 0.616996 0.892904 F\n0.866996 0.474092 0.658957 F\n0.637485 0.535516 0.365082 F\n0.522403 0.387485 0.601969 F\n0.785516 0.920434 0.398031 F\n0.170434 0.272403 0.634918 F\n0.612515 0.214484 0.134918 F\n0.727597 0.362515 0.898031 F\n0.464484 0.829566 0.101969 F\n0.079566 0.477597 0.865082 F\n0.068920 0.208550 0.920497 F\n0.398423 0.818920 0.360370 F\n0.458550 0.038053 0.639630 F\n0.288053 0.148423 0.079503 F\n0.181080 0.541450 0.579503 F\n0.851577 0.931080 0.139630 F\n0.791450 0.711947 0.860370 F\n0.961947 0.601577 0.420497 F\n0.065154 0.406539 0.119045 F\n0.196109 0.815154 0.158615 F\n0.656539 0.037495 0.841385 F\n0.287495 0.946109 0.880955 F\n0.184846 0.343461 0.380955 F\n0.053891 0.934846 0.341385 F\n0.593461 0.712505 0.658615 F\n0.962505 0.803891 0.619045 F\n",
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{
"id": "mp-849366",
"created_at": "2022-09-04T14:45:22.467876Z",
"structure_string": "Li2 Co6 O2 F10\n1.0\n6.025393 0.000000 0.000000\n-0.238994 6.168243 0.000000\n-0.150505 -0.255583 6.178848\nLi Co O F\n2 6 2 10\ndirect\n0.507026 0.493197 0.498496 Li\n0.994087 0.983148 0.986331 Li\n0.273368 0.094171 0.556899 Co\n0.930894 0.452653 0.758355 Co\n0.415163 0.735044 0.916052 Co\n0.555370 0.244440 0.100287 Co\n0.066716 0.570445 0.232174 Co\n0.749491 0.945791 0.434667 Co\n0.092269 0.671982 0.936843 O\n0.543114 0.171905 0.401354 O\n0.318849 0.089891 0.899521 F\n0.932218 0.100940 0.691727 F\n0.596333 0.450097 0.820963 F\n0.178738 0.413838 0.528733 F\n0.817914 0.613942 0.457847 F\n0.456290 0.803135 0.601459 F\n0.903722 0.293544 0.089100 F\n0.414048 0.543497 0.199320 F\n0.077770 0.927865 0.321722 F\n0.676620 0.900477 0.068147 F\n",
"nsites": 20,
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"elements": [
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"formula_full": "Li2 Co6 O2 F10",
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{
"id": "mp-1234575",
"created_at": "2022-09-04T14:45:23.705671Z",
"structure_string": "Mg1 V12 Zn6 O24\n1.0\n6.172143 -0.004342 -0.000538\n3.082374 5.326786 -0.008804\n9.253379 5.298409 15.177687\nMg V Zn O\n1 12 6 24\ndirect\n0.632022 0.632745 0.206248 Mg\n0.074702 0.476382 0.154592 V\n0.477633 0.481761 0.157780 V\n0.992825 0.492101 0.506952 V\n0.475571 0.076042 0.153484 V\n0.480504 0.471560 0.356859 V\n0.495819 0.492580 0.507366 V\n0.004584 0.504593 0.829253 V\n0.496059 0.989385 0.507193 V\n0.499888 0.007051 0.829308 V\n0.497059 0.499994 0.667882 V\n0.501993 0.501999 0.830071 V\n0.878745 0.880014 0.953489 V\n0.133012 0.135146 0.035033 Zn\n0.124643 0.119539 0.378277 Zn\n0.512669 0.514502 0.988507 Zn\n0.121493 0.123051 0.709931 Zn\n0.869317 0.867255 0.297946 Zn\n0.872409 0.872737 0.626622 Zn\n0.278385 0.281020 0.066483 O\n0.254354 0.253089 0.247624 O\n0.273899 0.739972 0.078161 O\n0.738252 0.274790 0.078421 O\n0.265680 0.726473 0.251090 O\n0.253773 0.246635 0.428247 O\n0.729026 0.264924 0.253223 O\n0.752387 0.752617 0.082015 O\n0.249184 0.708346 0.432279 O\n0.252444 0.250599 0.576813 O\n0.717755 0.715208 0.269285 O\n0.714227 0.244434 0.432507 O\n0.278391 0.734309 0.583161 O\n0.255642 0.274872 0.749596 O\n0.737049 0.277539 0.582288 O\n0.738501 0.735109 0.436283 O\n0.263972 0.264757 0.899538 O\n0.266050 0.719737 0.753303 O\n0.732012 0.730416 0.586569 O\n0.716128 0.258417 0.751706 O\n0.272259 0.766611 0.902297 O\n0.738912 0.743313 0.759941 O\n0.755579 0.273075 0.901646 O\n0.760599 0.750302 0.904298 O\n",
"nsites": 43,
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"elements": [
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],
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"density": 4.694044416664167,
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"formula_full": "Mg1 V12 Zn6 O24",
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"energy": -326.65769313,
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},
{
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{
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{
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{
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}