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{
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"results": [
{
"id": "mp-1360457",
"created_at": "2022-09-04T14:39:41.173907Z",
"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n5.338926 0.000000 0.000000\n-2.578259 6.877930 0.000000\n-0.918645 -3.558041 9.787536\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.562289 0.152077 0.782563 Li\n0.437711 0.847923 0.217437 Li\n0.999619 0.994145 0.747400 Mn\n0.000381 0.005855 0.252600 Mn\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.129354 0.775265 0.025674 P\n0.121520 0.768117 0.527185 P\n0.870646 0.224735 0.974326 P\n0.878480 0.231883 0.472815 P\n0.718906 0.657539 0.246068 H\n0.693494 0.660114 0.742741 H\n0.281094 0.342461 0.753932 H\n0.306506 0.339886 0.257259 H\n0.325524 0.277083 0.685638 O\n0.700630 0.357611 0.435718 O\n0.804312 0.619290 0.584798 O\n0.311603 0.284975 0.179246 O\n0.179031 0.925802 0.109720 O\n0.177884 0.931845 0.599006 O\n0.206618 0.864527 0.372833 O\n0.793382 0.135473 0.627167 O\n0.688951 0.343994 0.933071 O\n0.814063 0.624164 0.076245 O\n0.195688 0.380710 0.415202 O\n0.299370 0.642389 0.564282 O\n0.227751 0.891677 0.873574 O\n0.772249 0.108323 0.126426 O\n0.820969 0.074198 0.890280 O\n0.822116 0.068155 0.400994 O\n0.674476 0.722917 0.314362 O\n0.185937 0.375836 0.923755 O\n0.311049 0.656006 0.066929 O\n0.688397 0.715025 0.820754 O\n",
"nsites": 34,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
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],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.1119865802926605,
"density_atomic": 0.09460060017644081,
"volume": 359.4057536272091,
"volume_molar": 6.365858936167453,
"formula_full": "Li2 Mn2 V2 P4 H4 O20",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -174.40674445999997,
"energy_per_atom": -5.12961013117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -153.21474446,
"band_gap": 0.0990000000000002,
"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.780000Z",
"spacegroup": 2
},
{
"id": "mp-753882",
"created_at": "2022-09-04T14:42:19.485514Z",
"structure_string": "Li6 Mn1 V1 P2 C2 O14\n1.0\n0.477684 4.984407 0.000224\n-0.000550 0.000348 6.601329\n8.563596 0.141059 -0.000704\nLi Mn V P C O\n6 1 1 2 2 14\ndirect\n0.794297 0.250005 0.104399 Li\n0.202876 0.749999 0.895910 Li\n0.267295 0.024141 0.274623 Li\n0.267219 0.475741 0.274702 Li\n0.733723 0.523270 0.724863 Li\n0.733706 0.976821 0.724896 Li\n0.218286 0.249978 0.663128 Mn\n0.791947 0.750015 0.327133 V\n0.732621 0.249993 0.409031 P\n0.267057 0.750006 0.589666 P\n0.671231 0.750020 0.037688 C\n0.327075 0.249985 0.964943 C\n0.919814 0.749957 0.067504 O\n0.394502 0.249985 0.107300 O\n0.487696 0.750090 0.159091 O\n0.168769 0.749899 0.425593 O\n0.418113 0.249966 0.425643 O\n0.581607 0.750020 0.569303 O\n0.821562 0.250081 0.575800 O\n0.512806 0.249966 0.844701 O\n0.606161 0.750026 0.895478 O\n0.078568 0.250008 0.938010 O\n0.842740 0.066437 0.307460 O\n0.842595 0.433521 0.307445 O\n0.158807 0.933715 0.692829 O\n0.158927 0.566355 0.692862 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P-V",
"density": 2.7003001980997436,
"density_atomic": 0.09241839563285963,
"volume": 281.3292724025132,
"volume_molar": 6.516171070447377,
"formula_full": "Li6 Mn1 V1 P2 C2 O14",
"formula_reduced": "Li6MnVP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy": -190.37667765,
"energy_per_atom": -7.322179909615385,
"energy_above_hull": null,
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"energy_uncorrected": -177.39067765,
"band_gap": 2.6874,
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"is_magnetic": true,
"total_magnetization": 6.0038627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.061000Z",
"spacegroup": 6
},
{
"id": "mp-861267",
"created_at": "2022-09-04T14:39:38.539537Z",
"structure_string": "Li12 Mn1 V3 P4 C4 O28\n1.0\n6.624613 0.000000 0.000000\n0.000000 8.503437 0.000000\n0.000000 0.871302 9.976222\nLi Mn V P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.902919 0.618428 Li\n0.000000 0.907127 0.118636 Li\n0.223604 0.721854 0.875539 Li\n0.776396 0.721854 0.875539 Li\n0.223369 0.724017 0.376402 Li\n0.776631 0.724017 0.376402 Li\n0.724743 0.277688 0.624000 Li\n0.275257 0.277688 0.624000 Li\n0.722700 0.277065 0.123308 Li\n0.277300 0.277065 0.123308 Li\n0.500000 0.095084 0.882371 Li\n0.500000 0.094644 0.382566 Li\n0.000000 0.339544 0.389760 Mn\n0.500000 0.669881 0.604033 V\n0.500000 0.670050 0.103578 V\n0.000000 0.329890 0.896899 V\n0.000000 0.587699 0.641106 P\n0.000000 0.591269 0.138118 P\n0.500000 0.411066 0.860010 P\n0.500000 0.410923 0.360354 P\n0.500000 0.964452 0.650609 C\n0.500000 0.964459 0.150397 C\n0.000000 0.035371 0.849631 C\n0.000000 0.032869 0.351040 C\n0.500000 0.924732 0.527901 O\n0.000000 0.889560 0.822549 O\n0.500000 0.924985 0.027711 O\n0.500000 0.851484 0.747357 O\n0.000000 0.886940 0.321660 O\n0.500000 0.851371 0.247129 O\n0.182414 0.690017 0.587887 O\n0.817586 0.690017 0.587887 O\n0.182936 0.692092 0.084820 O\n0.817064 0.692092 0.084820 O\n0.500000 0.577837 0.910436 O\n0.000000 0.569730 0.797979 O\n0.500000 0.577788 0.410623 O\n0.000000 0.575228 0.294881 O\n0.500000 0.430466 0.703369 O\n0.000000 0.420248 0.591415 O\n0.500000 0.430319 0.203599 O\n0.000000 0.421960 0.091682 O\n0.317517 0.308401 0.912930 O\n0.682483 0.308401 0.912930 O\n0.683261 0.308803 0.412814 O\n0.316739 0.308803 0.412814 O\n0.000000 0.148803 0.753108 O\n0.500000 0.110680 0.677620 O\n0.000000 0.145797 0.254022 O\n0.000000 0.075235 0.972445 O\n0.500000 0.110620 0.177571 O\n0.000000 0.069099 0.474006 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Mn",
"V",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P-V",
"density": 2.6917500080708887,
"density_atomic": 0.09252992875042551,
"volume": 561.9803311451363,
"volume_molar": 6.5083166509758135,
"formula_full": "Li12 Mn1 V3 P4 C4 O28",
"formula_reduced": "Li12MnV3P4(CO7)4",
"formula_anonymous": "AB3C4D4E12F28",
"energy": -382.49524635,
"energy_per_atom": -7.3556778144230766,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -356.49124635,
"band_gap": 2.7204,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 14.0095162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.098000Z",
"spacegroup": 6
},
{
"id": "mp-766509",
"created_at": "2022-09-04T14:47:23.040409Z",
"structure_string": "Li12 Mn3 V1 P4 C4 O28\n1.0\n6.621030 0.000000 0.000000\n0.000000 8.529274 0.000000\n0.000000 0.794391 9.968482\nLi Mn V P C O\n12 3 1 4 4 28\ndirect\n0.000000 0.909346 0.620653 Li\n0.000000 0.907816 0.120308 Li\n0.222730 0.726700 0.877196 Li\n0.777270 0.726700 0.877196 Li\n0.222872 0.725636 0.376851 Li\n0.777128 0.725636 0.376851 Li\n0.722262 0.273517 0.622902 Li\n0.277738 0.273517 0.622902 Li\n0.723000 0.273934 0.123367 Li\n0.277000 0.273934 0.123367 Li\n0.500000 0.091370 0.879120 Li\n0.500000 0.091624 0.379050 Li\n0.500000 0.659387 0.610227 Mn\n0.500000 0.659472 0.110274 Mn\n0.000000 0.340572 0.890117 Mn\n0.000000 0.331285 0.395952 V\n0.000000 0.590668 0.639111 P\n0.000000 0.588707 0.140877 P\n0.500000 0.409949 0.860137 P\n0.500000 0.410226 0.359871 P\n0.500000 0.967116 0.647891 C\n0.500000 0.967175 0.147912 C\n0.000000 0.032965 0.852027 C\n0.000000 0.034494 0.350826 C\n0.500000 0.930205 0.524609 O\n0.000000 0.887116 0.822491 O\n0.500000 0.930209 0.024958 O\n0.500000 0.855421 0.744761 O\n0.000000 0.888744 0.323490 O\n0.500000 0.855533 0.245082 O\n0.183920 0.690330 0.585987 O\n0.816080 0.690330 0.585987 O\n0.183455 0.689367 0.087064 O\n0.816545 0.689367 0.087064 O\n0.500000 0.579560 0.905768 O\n0.000000 0.575605 0.795997 O\n0.500000 0.579642 0.405951 O\n0.000000 0.572951 0.298008 O\n0.500000 0.423749 0.702962 O\n0.000000 0.421763 0.592140 O\n0.500000 0.424007 0.202912 O\n0.000000 0.420660 0.092570 O\n0.316172 0.310501 0.913616 O\n0.683828 0.310501 0.913616 O\n0.683189 0.310348 0.413714 O\n0.316811 0.310348 0.413714 O\n0.000000 0.144635 0.754836 O\n0.500000 0.112897 0.677252 O\n0.000000 0.146459 0.254257 O\n0.000000 0.069870 0.975037 O\n0.500000 0.113034 0.177455 O\n0.000000 0.075102 0.473715 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P-V",
"density": 2.7107106256224776,
"density_atomic": 0.09237122278996229,
"volume": 562.9458875762624,
"volume_molar": 6.519498798552669,
"formula_full": "Li12 Mn3 V1 P4 C4 O28",
"formula_reduced": "Li12Mn3VP4(CO7)4",
"formula_anonymous": "AB3C4D4E12F28",
"energy": -382.57320645,
"energy_per_atom": -7.357177047115385,
"energy_above_hull": null,
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"energy_uncorrected": -356.63320645,
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"updated_at": "2021-11-28T01:37:57.591000Z",
"spacegroup": 6
},
{
"id": "mp-770417",
"created_at": "2022-09-04T14:43:05.924826Z",
"structure_string": "Li4 Mn2 V1 Ni3 P6 O24\n1.0\n8.472325 -0.156300 -0.115092\n4.339990 -7.680931 -0.010264\n4.344382 -2.579748 -7.214112\nLi Mn V Ni P O\n4 2 1 3 6 24\ndirect\n0.251932 0.848495 0.647666 Li\n0.785723 0.148768 0.353533 Li\n0.787264 0.711124 0.146784 Li\n0.787847 0.354728 0.710324 Li\n0.016565 0.997559 0.002175 Mn\n0.493348 0.495323 0.499789 Mn\n0.552106 0.152382 0.148105 V\n0.064664 0.643353 0.647841 Ni\n0.438333 0.851586 0.853738 Ni\n0.941773 0.353224 0.350223 Ni\n0.241632 0.254492 0.549852 P\n0.243072 0.954784 0.251507 P\n0.242749 0.551436 0.953868 P\n0.745915 0.456078 0.043060 P\n0.757102 0.041972 0.752735 P\n0.736527 0.755981 0.456936 P\n0.052710 0.107225 0.312674 O\n0.053002 0.524315 0.105351 O\n0.050709 0.322572 0.520640 O\n0.231519 0.085514 0.731123 O\n0.423240 0.190131 0.382053 O\n0.274829 0.405716 0.557356 O\n0.236847 0.928164 0.096012 O\n0.278289 0.773185 0.416520 O\n0.562384 0.606252 0.009995 O\n0.278036 0.561828 0.758400 O\n0.756535 0.253002 0.079149 O\n0.584715 0.992964 0.811237 O\n0.424532 0.011953 0.180478 O\n0.228664 0.744834 0.927570 O\n0.730502 0.431711 0.240378 O\n0.424789 0.387434 0.003450 O\n0.735307 0.237623 0.594081 O\n0.757516 0.082237 0.911529 O\n0.731738 0.596456 0.426951 O\n0.540942 0.814203 0.604873 O\n0.753332 0.914595 0.255613 O\n0.913345 0.710802 0.493903 O\n0.934344 0.476977 0.887552 O\n0.955622 0.892021 0.701976 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 3.3602513968466967,
"density_atomic": 0.08661797442738298,
"volume": 461.79791509133463,
"volume_molar": 6.952530118386364,
"formula_full": "Li4 Mn2 V1 Ni3 P6 O24",
"formula_reduced": "Li4Mn2VNi3(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -300.07535788,
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"updated_at": "2021-11-28T01:35:55.181000Z",
"spacegroup": 1
},
{
"id": "mp-1177396",
"created_at": "2022-09-04T14:46:08.572185Z",
"structure_string": "Li4 Mn3 V2 Cr1 P6 O24\n1.0\n8.457842 0.000000 0.000000\n3.711872 7.673096 0.000000\n3.721087 2.409450 7.296121\nLi Mn V Cr P O\n4 3 2 1 6 24\ndirect\n0.752682 0.144749 0.352469 Li\n0.265387 0.858150 0.651872 Li\n0.645707 0.263310 0.863337 Li\n0.865004 0.645324 0.265278 Li\n0.348015 0.348287 0.344869 Mn\n0.151450 0.152924 0.150573 Mn\n0.655890 0.658256 0.660512 Mn\n0.009210 0.002765 0.999488 V\n0.492076 0.502304 0.500747 V\n0.853370 0.849527 0.853066 Cr\n0.059133 0.746037 0.446650 P\n0.442725 0.058345 0.750160 P\n0.747182 0.443872 0.058118 P\n0.244428 0.557539 0.939661 P\n0.568137 0.941961 0.248006 P\n0.928878 0.242490 0.553599 P\n0.464705 0.913548 0.674425 O\n0.672329 0.465220 0.913033 O\n0.916161 0.663543 0.473004 O\n0.065645 0.902561 0.261602 O\n0.009035 0.810060 0.610743 O\n0.257369 0.601547 0.436687 O\n0.254030 0.080546 0.897099 O\n0.450390 0.248701 0.592851 O\n0.170197 0.409290 0.976790 O\n0.604228 0.428790 0.256989 O\n0.096497 0.758548 0.911102 O\n0.405553 0.001753 0.183452 O\n0.607787 0.004025 0.818088 O\n0.892996 0.250475 0.082869 O\n0.394469 0.580297 0.741845 O\n0.811613 0.607920 0.009262 O\n0.579054 0.743470 0.396627 O\n0.763393 0.908005 0.094804 O\n0.733904 0.396951 0.582043 O\n0.940800 0.175532 0.410233 O\n0.911522 0.094963 0.753834 O\n0.094465 0.300604 0.504030 O\n0.309693 0.528622 0.092438 O\n0.564889 0.086189 0.310749 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
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"Mn",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-Mn-O-P-V",
"density": 3.2133471009832713,
"density_atomic": 0.08447686020845496,
"volume": 473.50244672086615,
"volume_molar": 7.128745960893641,
"formula_full": "Li4 Mn3 V2 Cr1 P6 O24",
"formula_reduced": "Li4Mn3V2Cr(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -316.40039101,
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"energy_uncorrected": -289.50939101,
"band_gap": 0.5556000000000001,
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"updated_at": "2021-11-28T01:37:22.606000Z",
"spacegroup": 1
},
{
"id": "mp-1177518",
"created_at": "2022-09-04T14:44:23.143650Z",
"structure_string": "Li4 Mn2 Ni3 Sn1 P6 O24\n1.0\n8.606166 0.000000 0.000000\n4.139989 7.639978 0.000000\n4.130846 2.520654 7.225201\nLi Mn Ni Sn P O\n4 2 3 1 6 24\ndirect\n0.256980 0.642698 0.852299 Li\n0.692253 0.358979 0.156451 Li\n0.361387 0.154955 0.689501 Li\n0.156148 0.683806 0.363813 Li\n0.981808 0.999546 0.998264 Mn\n0.515039 0.501281 0.498461 Mn\n0.860515 0.853094 0.850215 Ni\n0.641444 0.650901 0.648254 Ni\n0.355897 0.346775 0.349824 Ni\n0.144906 0.148010 0.152502 Sn\n0.751580 0.043939 0.458963 P\n0.448732 0.749538 0.040557 P\n0.055103 0.463451 0.753881 P\n0.947582 0.553833 0.256729 P\n0.554622 0.250018 0.950992 P\n0.253142 0.950737 0.555323 P\n0.878764 0.509994 0.720740 O\n0.700591 0.889383 0.480746 O\n0.940991 0.737668 0.090578 O\n0.442133 0.704959 0.893973 O\n0.982280 0.394421 0.194910 O\n0.759379 0.565632 0.413228 O\n0.744294 0.096948 0.921405 O\n0.541945 0.419364 0.771000 O\n0.835965 0.004298 0.595786 O\n0.404944 0.756903 0.568894 O\n0.890581 0.099211 0.244652 O\n0.604024 0.821800 0.976813 O\n0.395326 0.180927 0.996186 O\n0.100340 0.925120 0.748697 O\n0.583555 0.234042 0.453669 O\n0.188931 0.990306 0.397026 O\n0.454452 0.580202 0.227939 O\n0.240395 0.892568 0.104302 O\n0.238097 0.449619 0.580102 O\n0.051022 0.596111 0.824296 O\n0.525591 0.304761 0.108618 O\n0.097642 0.250627 0.895018 O\n0.313668 0.105891 0.522103 O\n0.107950 0.514685 0.316293 O\n",
"nsites": 40,
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"elements": [
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"Ni",
"Sn",
"P",
"O"
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