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{
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"results": [
{
"id": "mp-753924",
"created_at": "2022-09-04T14:40:53.880419Z",
"structure_string": "Li2 Co4 P4 O16\n1.0\n5.184907 0.000000 0.000000\n0.000000 8.240662 0.000000\n0.000000 2.331804 8.136059\nLi Co P O\n2 4 4 16\ndirect\n0.329777 0.497827 0.280934 Li\n0.670223 0.497827 0.780934 Li\n0.313453 0.116772 0.212531 Co\n0.825708 0.644828 0.380149 Co\n0.686547 0.116772 0.712531 Co\n0.174292 0.644828 0.880149 Co\n0.669544 0.751351 0.010743 P\n0.815471 0.262713 0.333695 P\n0.330456 0.751351 0.510743 P\n0.184529 0.262713 0.833695 P\n0.193856 0.129607 0.005323 O\n0.390962 0.685069 0.055003 O\n0.663057 0.195148 0.208125 O\n0.805229 0.785456 0.157922 O\n0.105812 0.289610 0.278187 O\n0.694808 0.429268 0.347271 O\n0.806144 0.129607 0.505323 O\n0.189719 0.620020 0.438746 O\n0.333731 0.922424 0.372821 O\n0.609038 0.685069 0.555003 O\n0.336943 0.195148 0.708125 O\n0.194771 0.785456 0.657922 O\n0.894188 0.289610 0.778187 O\n0.305192 0.429268 0.847271 O\n0.810281 0.620020 0.938746 O\n0.666269 0.922424 0.872821 O\n",
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"elements": [
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"P",
"O"
],
"chemical_system": "Co-Li-O-P",
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"density_atomic": 0.07479217901546407,
"volume": 347.62993059239824,
"volume_molar": 8.051832209294048,
"formula_full": "Li2 Co4 P4 O16",
"formula_reduced": "LiCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -191.16369724,
"energy_per_atom": -7.352449893846154,
"energy_above_hull": null,
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"energy_uncorrected": -173.61969724,
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"updated_at": "2021-11-28T01:34:58.362000Z",
"spacegroup": 7
},
{
"id": "mp-753925",
"created_at": "2022-09-04T14:42:15.376893Z",
"structure_string": "Nb8 V2 O24\n1.0\n-5.645340 2.943288 -4.245804\n-4.958191 6.400965 4.377084\n5.674110 2.946426 -4.284974\nNb V O\n8 2 24\ndirect\n0.017506 0.980889 0.004853 Nb\n0.517558 0.980877 0.504861 Nb\n0.254000 0.509803 0.238101 Nb\n0.753988 0.509849 0.738135 Nb\n0.742155 0.500251 0.248828 Nb\n0.242180 0.500255 0.748860 Nb\n0.020233 0.982030 0.496407 Nb\n0.520235 0.982022 0.996405 Nb\n0.551144 0.281036 0.433889 V\n0.051234 0.281028 0.933954 V\n0.550305 0.422676 0.711225 O\n0.050289 0.422647 0.211242 O\n0.207041 0.727735 0.901859 O\n0.707048 0.727716 0.401845 O\n0.055562 0.037575 0.256681 O\n0.555577 0.037597 0.756688 O\n0.232573 0.406221 0.935024 O\n0.732525 0.406275 0.435029 O\n0.297060 0.941629 0.506880 O\n0.797057 0.941591 0.006839 O\n0.089122 0.740339 0.305997 O\n0.589018 0.740454 0.806034 O\n0.981890 0.240176 0.692852 O\n0.481888 0.240156 0.192718 O\n0.739956 0.074597 0.452299 O\n0.239964 0.074597 0.952283 O\n0.806789 0.515013 0.988114 O\n0.306807 0.515003 0.488100 O\n0.002535 0.934174 0.700686 O\n0.502525 0.934185 0.200683 O\n0.872183 0.232140 0.034665 O\n0.372176 0.232129 0.534711 O\n0.490984 0.532969 0.180584 O\n0.990996 0.532959 0.680561 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Nb",
"V",
"O"
],
"chemical_system": "Nb-O-V",
"density": 4.491170068575701,
"density_atomic": 0.07481611664263096,
"volume": 454.4475378534478,
"volume_molar": 8.049256002908503,
"formula_full": "Nb8 V2 O24",
"formula_reduced": "Nb4VO12",
"formula_anonymous": "AB4C12",
"energy": -315.83213398,
"energy_per_atom": -9.28918041117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -295.94413398,
"band_gap": 1.5973,
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"is_magnetic": true,
"total_magnetization": 0.0007337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.549000Z",
"spacegroup": 1
},
{
"id": "mp-753926",
"created_at": "2022-09-04T14:44:28.387811Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n0.000043 4.154546 -4.155576\n-4.179192 4.182339 0.027860\n4.179552 4.182703 0.028140\nLi V Co O\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.249941 0.876130 0.623818 V\n0.750058 0.123871 0.376184 V\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.986658 0.766323 0.260383 O\n0.513345 0.239615 0.733641 O\n0.486656 0.760386 0.266359 O\n0.013343 0.233676 0.739618 O\n0.499316 0.752977 0.747105 O\n0.999216 0.247105 0.253011 O\n0.000784 0.752895 0.746988 O\n0.500684 0.247023 0.252895 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.105840546012902,
"density_atomic": 0.09572396100809288,
"volume": 146.25387262042346,
"volume_molar": 6.291152911537859,
"formula_full": "Li2 V2 Co2 O8",
"formula_reduced": "LiVCoO4",
"formula_anonymous": "ABCD4",
"energy": -105.52761173,
"energy_per_atom": -7.5376865521428575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -93.35561173,
"band_gap": 1.3641,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.773000Z",
"spacegroup": 74
},
{
"id": "mp-753927",
"created_at": "2022-09-04T14:47:17.722552Z",
"structure_string": "Mg16 Mn6 O22\n1.0\n-2.160349 0.000009 -2.160349\n-2.153533 4.305977 2.153516\n17.366428 15.205645 -15.206145\nMg Mn O\n16 6 22\ndirect\n0.090100 0.363164 0.180375 Mg\n0.590096 0.863190 0.180365 Mg\n0.682527 0.227785 0.365070 Mg\n0.182528 0.727766 0.365078 Mg\n0.545884 0.182220 0.091971 Mg\n0.045882 0.682145 0.091970 Mg\n0.226775 0.408698 0.453482 Mg\n0.726772 0.908684 0.453485 Mg\n0.319603 0.773423 0.639137 Mg\n0.819600 0.273399 0.639140 Mg\n0.453251 0.817511 0.906315 Mg\n0.953247 0.317449 0.906314 Mg\n0.364122 0.454725 0.728197 Mg\n0.864123 0.954721 0.728198 Mg\n0.908720 0.636147 0.817253 Mg\n0.408719 0.136152 0.817252 Mg\n0.635772 0.545624 0.272770 Mn\n0.499674 0.500015 0.999324 Mn\n0.773146 0.590937 0.546136 Mn\n0.136333 0.045433 0.272711 Mn\n0.999975 0.999853 0.999346 Mn\n0.272996 0.091095 0.546117 Mn\n0.386439 0.795411 0.772726 O\n0.886438 0.295415 0.772726 O\n0.024314 0.342039 0.048756 O\n0.524343 0.842009 0.048767 O\n0.748331 0.248845 0.496694 O\n0.248354 0.748826 0.496702 O\n0.567994 0.522678 0.136211 O\n0.067995 0.022677 0.136207 O\n0.704636 0.568231 0.409241 O\n0.204635 0.068231 0.409240 O\n0.160867 0.387585 0.321894 O\n0.660900 0.887588 0.321900 O\n0.611671 0.203337 0.223556 O\n0.111640 0.703336 0.223550 O\n0.297827 0.433246 0.595551 O\n0.797805 0.933258 0.595543 O\n0.975044 0.657705 0.949906 O\n0.475068 0.157676 0.949917 O\n0.841891 0.614005 0.683638 O\n0.341890 0.114004 0.683639 O\n0.431035 0.476880 0.861814 O\n0.931036 0.976880 0.861811 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.999205767042634,
"density_atomic": 0.09899030388705327,
"volume": 444.48797783471264,
"volume_molar": 6.083566292382726,
"formula_full": "Mg16 Mn6 O22",
"formula_reduced": "Mg8Mn3O11",
"formula_anonymous": "A3B8C11",
"energy": -310.39886222,
"energy_per_atom": -7.054519595909091,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -285.27686222,
"band_gap": 2.3869000000000007,
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"is_magnetic": true,
"total_magnetization": 0.0009008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.284000Z",
"spacegroup": 166
},
{
"id": "mp-753928",
"created_at": "2022-09-04T14:41:29.815085Z",
"structure_string": "Li2 V4 O4 F6\n1.0\n2.571941 5.354261 0.000000\n-2.571941 5.354261 0.000000\n0.000000 2.569541 6.659293\nLi V O F\n2 4 4 6\ndirect\n0.589345 0.361998 0.981202 Li\n0.361998 0.589345 0.481202 Li\n0.792840 0.816246 0.877618 V\n0.816246 0.792840 0.377618 V\n0.188922 0.203161 0.627583 V\n0.203161 0.188922 0.127583 V\n0.981236 0.631094 0.636748 O\n0.631094 0.981236 0.136748 O\n0.374017 0.048361 0.861901 O\n0.048361 0.374017 0.361901 O\n0.155405 0.853444 0.260059 F\n0.555696 0.197618 0.464455 F\n0.197618 0.555696 0.964455 F\n0.793197 0.455929 0.046073 F\n0.455929 0.793197 0.546073 F\n0.853444 0.155405 0.760059 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.5820056147262878,
"density_atomic": 0.08723712089132911,
"volume": 183.40816199025102,
"volume_molar": 6.903186050238585,
"formula_full": "Li2 V4 O4 F6",
"formula_reduced": "LiV2O2F3",
"formula_anonymous": "AB2C2D3",
"energy": -117.64113323,
"energy_per_atom": -7.352570826875,
"energy_above_hull": null,
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"energy_uncorrected": -105.32113323,
"band_gap": 1.3741000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999552,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.942000Z",
"spacegroup": 9
},
{
"id": "mp-753929",
"created_at": "2022-09-04T14:42:41.215935Z",
"structure_string": "Li8 Mn4 O4 F8\n1.0\n0.000000 0.000001 4.173674\n-5.410045 9.002165 0.000003\n-5.412240 -3.002036 -0.000001\nLi Mn O F\n8 4 4 8\ndirect\n0.945552 0.582336 0.083347 Li\n0.945553 0.082334 0.583337 Li\n0.445554 0.750536 0.915263 Li\n0.445553 0.250535 0.415258 Li\n0.445552 0.417664 0.916674 Li\n0.445552 0.917662 0.416662 Li\n0.945554 0.249465 0.084756 Li\n0.945553 0.749466 0.584753 Li\n0.945436 0.416427 0.583590 Mn\n0.445443 0.083531 0.916321 Mn\n0.945441 0.916432 0.083601 Mn\n0.445417 0.583600 0.416382 Mn\n0.445393 0.905781 0.094284 O\n0.445390 0.405779 0.594298 O\n0.945395 0.094217 0.905709 O\n0.945391 0.594226 0.405718 O\n0.944925 0.739044 0.901722 F\n0.944921 0.239048 0.401720 F\n0.444947 0.581420 0.059335 F\n0.444944 0.081419 0.559316 F\n0.944940 0.418583 0.940685 F\n0.944953 0.918577 0.440679 F\n0.444923 0.260963 0.098298 F\n0.444921 0.760954 0.598291 F\n",
"nsites": 24,
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"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.0087087376067316,
"density_atomic": 0.08851695434487657,
"volume": 271.13449821705416,
"volume_molar": 6.8033754714794545,
"formula_full": "Li8 Mn4 O4 F8",
"formula_reduced": "Li2MnOF2",
"formula_anonymous": "ABC2D2",
"energy": -151.48897756000002,
"energy_per_atom": -6.312040731666667,
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"energy_uncorrected": -138.37297756,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.226000Z",
"spacegroup": 63
},
{
"id": "mp-753930",
"created_at": "2022-09-04T14:47:14.038629Z",
"structure_string": "Li4 V2 Fe2 O10\n1.0\n6.645914 0.000000 0.000000\n0.000000 6.645914 0.000000\n0.000000 0.000000 4.638261\nLi V Fe O\n4 2 2 10\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.000000 0.500000 0.126998 V\n0.500000 0.000000 0.873002 V\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.272800 0.754865 O\n0.000000 0.500000 0.767239 O\n0.272800 0.500000 0.245135 O\n0.727200 0.500000 0.245135 O\n0.500000 0.727200 0.754865 O\n0.000000 0.772800 0.245135 O\n0.772800 0.000000 0.754865 O\n0.227200 0.000000 0.754865 O\n0.500000 0.000000 0.232761 O\n0.000000 0.227200 0.245135 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 3.2530233999934883,
"density_atomic": 0.08786337629235748,
"volume": 204.86351378197236,
"volume_molar": 6.853982869906876,
"formula_full": "Li4 V2 Fe2 O10",
"formula_reduced": "Li2VFeO5",
"formula_anonymous": "ABC2D5",
"energy": -131.50517153,
"energy_per_atom": -7.305842862777778,
"energy_above_hull": null,
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"energy_uncorrected": -116.72317153,
"band_gap": 1.6432000000000002,
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"updated_at": "2021-11-28T01:38:02.534000Z",
"spacegroup": 129
},
{
"id": "mp-753931",
"created_at": "2022-09-04T14:47:55.225727Z",
"structure_string": "Li14 Mn2 O6 F6\n1.0\n-5.519564 0.000000 0.000000\n2.755363 5.414296 0.000000\n-0.507298 -2.530931 -9.428674\nLi Mn O F\n14 2 6 6\ndirect\n0.529089 0.366804 0.746636 Li\n0.532505 0.348688 0.058043 Li\n0.562811 0.090690 0.207085 Li\n0.913628 0.940688 0.316222 Li\n0.947421 0.603238 0.443576 Li\n0.003375 0.632175 0.753727 Li\n0.003844 0.631529 0.099581 Li\n0.988458 0.357339 0.885133 Li\n0.051905 0.367246 0.238977 Li\n0.028712 0.354599 0.551591 Li\n0.018116 0.034449 0.673617 Li\n0.454218 0.999286 0.820362 Li\n0.451331 0.652690 0.951392 Li\n0.496812 0.644180 0.602652 Li\n0.017631 0.016524 0.991416 Mn\n0.521663 0.026847 0.509882 Mn\n0.299916 0.268391 0.885094 O\n0.805807 0.220662 0.377985 O\n0.791725 0.244609 0.702292 O\n0.818078 0.247743 0.059408 O\n0.172520 0.748394 0.939848 O\n0.220097 0.752308 0.604696 O\n0.283138 0.206313 0.198762 F\n0.317509 0.282133 0.574147 F\n0.143102 0.737939 0.289314 F\n0.759670 0.793458 0.482636 F\n0.698347 0.736267 0.782070 F\n0.697909 0.724454 0.121226 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.457684905697686,
"density_atomic": 0.0993712248207644,
"volume": 281.77171057822346,
"volume_molar": 6.060246083171581,
"formula_full": "Li14 Mn2 O6 F6",
"formula_reduced": "Li7Mn(OF)3",
"formula_anonymous": "AB3C3D7",
"energy": -149.25744068999998,
"energy_per_atom": -5.330622881785714,
"energy_above_hull": null,
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"energy_uncorrected": -139.02744069,
"band_gap": 2.7495,
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"updated_at": "2021-11-28T01:38:21.247000Z",
"spacegroup": 1
},
{
"id": "mp-753932",
"created_at": "2022-09-04T14:42:38.806048Z",
"structure_string": "Li12 Fe2 Si4 O16\n1.0\n5.483065 -0.815026 0.081986\n2.285294 10.032352 0.484530\n0.231543 0.890486 6.166604\nLi Fe Si O\n12 2 4 16\ndirect\n0.417249 0.081646 0.808259 Li\n0.417455 0.581702 0.808198 Li\n0.582771 0.418355 0.191729 Li\n0.582532 0.918306 0.191804 Li\n0.245498 0.306900 0.036420 Li\n0.245394 0.806910 0.036319 Li\n0.754483 0.193097 0.963610 Li\n0.754526 0.693115 0.963706 Li\n0.359884 0.391911 0.615442 Li\n0.359583 0.891792 0.615449 Li\n0.640180 0.108138 0.384561 Li\n0.640393 0.608203 0.384518 Li\n0.999934 0.749983 0.500052 Fe\n0.000104 0.249998 0.499995 Fe\n0.205461 0.061977 0.279177 Si\n0.205727 0.562065 0.279118 Si\n0.794586 0.437991 0.720794 Si\n0.794254 0.937942 0.720888 Si\n0.216204 0.399006 0.296815 O\n0.215749 0.898944 0.296731 O\n0.783836 0.100992 0.703213 O\n0.784153 0.601049 0.703213 O\n0.051257 0.348796 0.777677 O\n0.051001 0.848791 0.777687 O\n0.948761 0.151203 0.222324 O\n0.948918 0.651208 0.222312 O\n0.290065 0.093695 0.517539 O\n0.290662 0.593730 0.517301 O\n0.709990 0.406220 0.482475 O\n0.709346 0.906279 0.482700 O\n0.421397 0.116799 0.102652 O\n0.421714 0.616934 0.102644 O\n0.578622 0.383205 0.897350 O\n0.578310 0.883116 0.897327 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.686266259947979,
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