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{
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"results": [
{
"id": "mp-774653",
"created_at": "2022-09-04T14:41:21.762661Z",
"structure_string": "Li4 Mn3 Cu2 Sn3 O16\n1.0\n6.082861 -0.012420 0.133227\n-3.052195 5.286392 0.000498\n0.210670 0.122563 9.816349\nLi Mn Cu Sn O\n4 3 2 3 16\ndirect\n0.340843 0.670435 0.884467 Li\n0.981205 0.990611 0.994463 Li\n0.991461 0.995765 0.501343 Li\n0.665651 0.332836 0.393129 Li\n0.665898 0.832935 0.216700 Mn\n0.832371 0.663752 0.715333 Mn\n0.832296 0.168574 0.715328 Mn\n0.331864 0.665964 0.493168 Cu\n0.672267 0.336144 0.985343 Cu\n0.169899 0.830610 0.214386 Sn\n0.169871 0.339281 0.214384 Sn\n0.341878 0.170986 0.713268 Sn\n0.154509 0.835187 0.601594 O\n0.017061 0.508498 0.334141 O\n0.366270 0.683162 0.100523 O\n0.976189 0.988060 0.318722 O\n0.976857 0.988411 0.811461 O\n0.154488 0.319388 0.601588 O\n0.485705 0.959449 0.338604 O\n0.485683 0.526263 0.338614 O\n0.326914 0.163499 0.092745 O\n0.691211 0.845637 0.614823 O\n0.524255 0.493531 0.829695 O\n0.524175 0.030674 0.829650 O\n0.699011 0.349559 0.606736 O\n0.835153 0.688234 0.106235 O\n0.951862 0.475916 0.835211 O\n0.835152 0.146940 0.106188 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"Cu",
"Sn",
"O"
],
"chemical_system": "Cu-Li-Mn-O-Sn",
"density": 4.910616879056154,
"density_atomic": 0.08886417053819658,
"volume": 315.0876200207679,
"volume_molar": 6.776792855351638,
"formula_full": "Li4 Mn3 Cu2 Sn3 O16",
"formula_reduced": "Li4Mn3Cu2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -186.02031884,
"energy_per_atom": -6.643582815714285,
"energy_above_hull": null,
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"energy_uncorrected": -170.02431884,
"band_gap": 0.1002,
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"is_magnetic": true,
"total_magnetization": 11.0014179,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.708000Z",
"spacegroup": 8
},
{
"id": "mp-766017",
"created_at": "2022-09-04T14:41:26.465477Z",
"structure_string": "Li4 Mn2 Ni3 Sb3 O16\n1.0\n3.050146 5.253861 0.000000\n-3.050146 5.253861 0.000000\n0.000000 0.483390 9.685993\nLi Mn Ni Sb O\n4 2 3 3 16\ndirect\n0.667522 0.667522 0.113293 Li\n0.974005 0.974005 0.016456 Li\n0.980769 0.980769 0.496870 Li\n0.330643 0.330643 0.594481 Li\n0.672800 0.672800 0.498569 Mn\n0.349431 0.349431 0.025834 Mn\n0.831482 0.831482 0.785964 Ni\n0.173275 0.663007 0.285865 Ni\n0.663007 0.173275 0.285865 Ni\n0.339407 0.835133 0.786714 Sb\n0.835133 0.339407 0.786714 Sb\n0.170393 0.170393 0.287591 Sb\n0.323917 0.847328 0.402705 O\n0.519979 0.519979 0.662279 O\n0.660794 0.660794 0.900473 O\n0.005681 0.005681 0.684644 O\n0.005969 0.005969 0.193634 O\n0.847328 0.323917 0.402705 O\n0.511990 0.971868 0.665457 O\n0.971868 0.511990 0.665457 O\n0.152769 0.152769 0.901830 O\n0.827954 0.827954 0.396225 O\n0.046732 0.474093 0.148327 O\n0.474093 0.046732 0.148327 O\n0.329026 0.329026 0.391929 O\n0.175803 0.672050 0.903052 O\n0.485114 0.485114 0.157923 O\n0.672050 0.175803 0.903052 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Ni",
"Sb",
"O"
],
"chemical_system": "Li-Mn-Ni-O-Sb",
"density": 5.001301434841111,
"density_atomic": 0.09019546008077589,
"volume": 310.436910848109,
"volume_molar": 6.676767050810298,
"formula_full": "Li4 Mn2 Ni3 Sb3 O16",
"formula_reduced": "Li4Mn2Ni3Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -186.71802714,
"energy_per_atom": -6.668500969285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -164.76702714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.000342,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.959000Z",
"spacegroup": 8
},
{
"id": "mp-1177424",
"created_at": "2022-09-04T14:47:24.603834Z",
"structure_string": "Li4 Mn3 V3 Cu2 O16\n1.0\n2.905063 5.105174 0.000000\n-2.905063 5.105174 0.000000\n0.000000 0.684122 9.687966\nLi Mn V Cu O\n4 3 3 2 16\ndirect\n0.675187 0.675187 0.108895 Li\n0.978719 0.978719 0.004459 Li\n0.985564 0.985564 0.502935 Li\n0.342015 0.342015 0.606743 Li\n0.829365 0.829365 0.784771 Mn\n0.172259 0.659890 0.285106 Mn\n0.659890 0.172259 0.285106 Mn\n0.335313 0.834243 0.785723 V\n0.834243 0.335313 0.785723 V\n0.165478 0.165478 0.287818 V\n0.667147 0.667147 0.507087 Cu\n0.335737 0.335737 0.011153 Cu\n0.312791 0.835188 0.391106 O\n0.527350 0.527350 0.665848 O\n0.664147 0.664147 0.893532 O\n0.000043 0.000043 0.685331 O\n0.002296 0.002296 0.186084 O\n0.835188 0.312791 0.391106 O\n0.521756 0.974295 0.673853 O\n0.974295 0.521756 0.673853 O\n0.142916 0.142916 0.891853 O\n0.835350 0.835350 0.394193 O\n0.046203 0.490260 0.166933 O\n0.490260 0.046203 0.166933 O\n0.329322 0.329322 0.392815 O\n0.157869 0.668404 0.893103 O\n0.493343 0.493343 0.178641 O\n0.668404 0.157869 0.893103 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O-V",
"density": 4.209601898897424,
"density_atomic": 0.09743821645554596,
"volume": 287.3615817134172,
"volume_molar": 6.180471050337287,
"formula_full": "Li4 Mn3 V3 Cu2 O16",
"formula_reduced": "Li4Mn3V3(CuO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -205.99227126,
"energy_per_atom": -7.356866830714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -184.89627126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.131000Z",
"spacegroup": 8
},
{
"id": "mp-777668",
"created_at": "2022-09-04T14:47:23.085300Z",
"structure_string": "Li4 Ti3 Co3 Sn2 O16\n1.0\n2.965394 5.041263 0.000000\n-2.965394 5.041263 0.000000\n0.000000 0.018359 9.752738\nLi Ti Co Sn O\n4 3 3 2 16\ndirect\n0.668696 0.668696 0.109004 Li\n0.991062 0.991062 0.007303 Li\n0.996011 0.996011 0.507044 Li\n0.333439 0.333439 0.598810 Li\n0.169250 0.169250 0.285059 Ti\n0.341172 0.833044 0.784388 Ti\n0.833044 0.341172 0.784388 Ti\n0.825508 0.825508 0.787958 Co\n0.169278 0.658498 0.285948 Co\n0.658498 0.169278 0.285948 Co\n0.667334 0.667334 0.503835 Sn\n0.341612 0.341612 0.013825 Sn\n0.317666 0.838690 0.396215 O\n0.514582 0.514582 0.665774 O\n0.659874 0.659874 0.895877 O\n0.996892 0.996892 0.695111 O\n0.996683 0.996683 0.193409 O\n0.838690 0.317666 0.396215 O\n0.495849 0.967104 0.652247 O\n0.967104 0.495849 0.652247 O\n0.166189 0.166189 0.897569 O\n0.842102 0.842102 0.394262 O\n0.035712 0.482864 0.164643 O\n0.482864 0.035712 0.164643 O\n0.333908 0.333908 0.390435 O\n0.177068 0.676362 0.902010 O\n0.484211 0.484211 0.174996 O\n0.676362 0.177067 0.902010 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn-Ti",
"density": 4.792516348079811,
"density_atomic": 0.09602398358785874,
"volume": 291.5938180629731,
"volume_molar": 6.271496489718053,
"formula_full": "Li4 Ti3 Co3 Sn2 O16",
"formula_reduced": "Li4Ti3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -206.66224052,
"energy_per_atom": -7.380794304285715,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -190.75624052,
"band_gap": 0.2186000000000003,
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"is_magnetic": true,
"total_magnetization": 1.0005672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.390000Z",
"spacegroup": 8
},
{
"id": "mp-754563",
"created_at": "2022-09-04T14:47:26.339163Z",
"structure_string": "Li4 Ti2 Mn3 Cu3 O16\n1.0\n5.824568 0.000000 0.000000\n-2.876946 5.093017 0.000000\n-0.070859 -0.152234 9.493548\nLi Ti Mn Cu O\n4 2 3 3 16\ndirect\n0.672973 0.338843 0.103164 Li\n0.000066 0.998982 0.003108 Li\n0.000203 0.000565 0.506905 Li\n0.333450 0.670467 0.605683 Li\n0.659568 0.319114 0.509138 Ti\n0.333549 0.659187 0.999648 Ti\n0.827360 0.655611 0.783954 Mn\n0.660273 0.829783 0.285125 Mn\n0.167677 0.828467 0.285103 Mn\n0.828551 0.167682 0.785436 Cu\n0.338817 0.168246 0.786044 Cu\n0.174207 0.339833 0.284784 Cu\n0.811554 0.146719 0.409742 O\n0.517240 0.042331 0.649810 O\n0.671431 0.340332 0.891450 O\n0.993860 0.989457 0.694927 O\n0.993942 0.993514 0.192997 O\n0.327438 0.156869 0.405610 O\n0.962728 0.495048 0.656200 O\n0.528607 0.494776 0.657628 O\n0.168976 0.334857 0.914889 O\n0.836641 0.670575 0.395805 O\n0.506678 0.544934 0.155225 O\n0.044914 0.532450 0.160687 O\n0.339994 0.674919 0.390589 O\n0.663761 0.819292 0.903213 O\n0.481199 0.969364 0.170069 O\n0.154640 0.817782 0.905230 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O-Ti",
"density": 4.333451121649629,
"density_atomic": 0.09942386344560884,
"volume": 281.62253034270566,
"volume_molar": 6.057037567539803,
"formula_full": "Li4 Ti2 Mn3 Cu3 O16",
"formula_reduced": "Li4Ti2Mn3Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -199.77414971,
"energy_per_atom": -7.134791061071428,
"energy_above_hull": null,
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"energy_uncorrected": -183.77814971,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.867000Z",
"spacegroup": 1
},
{
"id": "mp-756761",
"created_at": "2022-09-04T14:47:22.959936Z",
"structure_string": "Li4 V3 Ni3 Sb2 O16\n1.0\n2.964037 5.167427 0.000000\n-2.964037 5.167427 0.000000\n0.000000 0.095202 9.690383\nLi V Ni Sb O\n4 3 3 2 16\ndirect\n0.661596 0.661596 0.107808 Li\n0.997432 0.997432 0.015849 Li\n0.001158 0.001158 0.502686 Li\n0.331022 0.331022 0.593998 Li\n0.343289 0.832330 0.783236 V\n0.832330 0.343289 0.783236 V\n0.174480 0.174480 0.279514 V\n0.829870 0.829870 0.789234 Ni\n0.171453 0.657955 0.288021 Ni\n0.657955 0.171453 0.288021 Ni\n0.670783 0.670783 0.504512 Sb\n0.340472 0.340472 0.016020 Sb\n0.336341 0.834583 0.407181 O\n0.518439 0.518439 0.660398 O\n0.648708 0.648708 0.891734 O\n0.009847 0.009847 0.695691 O\n0.012483 0.012483 0.201930 O\n0.834583 0.336341 0.407181 O\n0.508997 0.959413 0.658275 O\n0.959413 0.508997 0.658275 O\n0.167354 0.167354 0.898092 O\n0.838010 0.838010 0.411413 O\n0.031963 0.472785 0.147845 O\n0.472785 0.031963 0.147845 O\n0.314695 0.314695 0.394178 O\n0.169481 0.672846 0.903538 O\n0.481843 0.481843 0.151784 O\n0.672846 0.169481 0.903538 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"V",
"Ni",
"Sb",
"O"
],
"chemical_system": "Li-Ni-O-Sb-V",
"density": 4.789440815474919,
"density_atomic": 0.09432550144572599,
"volume": 296.8444330625789,
"volume_molar": 6.3844248561615995,
"formula_full": "Li4 V3 Ni3 Sb2 O16",
"formula_reduced": "Li4V3Ni3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -197.91040397,
"energy_per_atom": -7.068228713214286,
"energy_above_hull": null,
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"energy_uncorrected": -174.19540397,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.427000Z",
"spacegroup": 8
},
{
"id": "mp-1331651",
"created_at": "2022-09-04T14:47:19.228601Z",
"structure_string": "Li4 Mn3 V3 Sb2 O16\n1.0\n-5.936370 0.000000 0.000000\n2.968583 5.292973 0.000000\n-0.011180 -0.322317 -9.785510\nLi Mn V Sb O\n4 3 3 2 16\ndirect\n0.340999 0.319302 0.902240 Li\n0.994918 0.005416 0.989032 Li\n0.992555 0.013051 0.487754 Li\n0.670683 0.662213 0.403040 Li\n0.165987 0.667143 0.210121 Mn\n0.338456 0.829219 0.711963 Mn\n0.832247 0.828920 0.711973 Mn\n0.171759 0.174459 0.213554 V\n0.649729 0.174555 0.217461 V\n0.829222 0.341072 0.717175 V\n0.331185 0.337377 0.488233 Sb\n0.667641 0.661857 0.988087 Sb\n0.159655 0.179104 0.592309 O\n0.491360 0.034396 0.344901 O\n0.361674 0.307725 0.106315 O\n0.976244 0.027963 0.300258 O\n0.000362 0.998863 0.799590 O\n0.660264 0.180830 0.593321 O\n0.040278 0.466619 0.348646 O\n0.495751 0.466038 0.349290 O\n0.826547 0.338352 0.098440 O\n0.159895 0.679729 0.590241 O\n0.526584 0.501363 0.852278 O\n0.972054 0.499396 0.853437 O\n0.668086 0.663739 0.615116 O\n0.328879 0.846925 0.089697 O\n0.525596 0.949292 0.842666 O\n0.821088 0.845082 0.090701 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb-V",
"density": 4.563068647183718,
"density_atomic": 0.09106551038245304,
"volume": 307.47096109610317,
"volume_molar": 6.61297645476149,
"formula_full": "Li4 Mn3 V3 Sb2 O16",
"formula_reduced": "Li4Mn3V3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -125.0498367,
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"energy_above_hull": null,
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"total_magnetization": 0.3447262,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.175000Z",
"spacegroup": 1
},
{
"id": "mp-776978",
"created_at": "2022-09-04T14:48:23.501139Z",
"structure_string": "Li4 Mn3 V3 Sb2 O16\n1.0\n6.068222 0.000000 0.000000\n-2.903302 5.177966 0.000000\n-0.275672 -0.167387 9.785510\nLi Mn V Sb O\n4 3 3 2 16\ndirect\n0.319302 0.659001 0.902240 Li\n0.005416 0.005082 0.989032 Li\n0.013051 0.007445 0.487754 Li\n0.662213 0.329317 0.403040 Li\n0.667143 0.834013 0.210121 Mn\n0.829219 0.661544 0.711963 Mn\n0.828920 0.167753 0.711973 Mn\n0.174459 0.828241 0.213554 V\n0.174555 0.350271 0.217461 V\n0.341072 0.170778 0.717175 V\n0.337377 0.668815 0.488233 Sb\n0.661857 0.332359 0.988087 Sb\n0.179104 0.840345 0.592309 O\n0.034396 0.508640 0.344901 O\n0.307725 0.638326 0.106315 O\n0.027963 0.023756 0.300258 O\n0.998863 0.999638 0.799590 O\n0.180830 0.339736 0.593321 O\n0.466619 0.959722 0.348646 O\n0.466038 0.504249 0.349290 O\n0.338352 0.173453 0.098440 O\n0.679729 0.840105 0.590241 O\n0.501363 0.473416 0.852278 O\n0.499396 0.027946 0.853437 O\n0.663739 0.331914 0.615116 O\n0.846925 0.671121 0.089697 O\n0.949292 0.474404 0.842666 O\n0.845082 0.178912 0.090701 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"V",
"Sb",
"O"
],
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"density": 4.563068492021029,
"density_atomic": 0.09106550728585938,
"volume": 307.470971551353,
"volume_molar": 6.6129766796292975,
"formula_full": "Li4 Mn3 V3 Sb2 O16",
"formula_reduced": "Li4Mn3V3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -212.9539334,
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"updated_at": "2021-11-28T01:39:38.893000Z",
"spacegroup": 1
},
{
"id": "mp-778230",
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{
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{
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{
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}