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{
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"results": [
{
"id": "mp-754101",
"created_at": "2022-09-04T14:44:00.373160Z",
"structure_string": "Rb1 Li7 Ni2 O6\n1.0\n1.842907 5.039112 0.000000\n-1.842907 5.039112 0.000000\n0.000000 0.429423 10.053460\nRb Li Ni O\n1 7 2 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.169069 0.169069 0.730332 Li\n0.730813 0.730813 0.900335 Li\n0.245738 0.245738 0.414873 Li\n0.754262 0.754262 0.585127 Li\n0.269187 0.269187 0.099665 Li\n0.830931 0.830931 0.269668 Li\n0.500000 0.500000 0.500000 Li\n0.579319 0.579319 0.253470 Ni\n0.420681 0.420681 0.746530 Ni\n0.605303 0.605303 0.740079 O\n0.670631 0.670631 0.411208 O\n0.697314 0.697314 0.107255 O\n0.302686 0.302686 0.892745 O\n0.329369 0.329369 0.588792 O\n0.394697 0.394697 0.259921 O\n",
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"formula_full": "Rb1 Li7 Ni2 O6",
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"updated_at": "2021-11-28T01:36:07.634000Z",
"spacegroup": 12
},
{
"id": "mp-1235053",
"created_at": "2022-09-04T14:46:23.024548Z",
"structure_string": "Rb2 Li1 Os2 O6\n1.0\n-5.054578 0.000760 2.169290\n-2.993148 4.615617 0.000639\n-5.130164 -0.049592 -4.981198\nRb Li Os O\n2 1 2 6\ndirect\n0.845387 0.845316 0.464015 Rb\n0.154614 0.154682 0.535985 Rb\n0.000000 0.000000 0.000000 Li\n0.665339 0.665324 0.003924 Os\n0.334662 0.334674 0.996078 Os\n0.431164 0.678522 0.839952 O\n0.050291 0.431036 0.839998 O\n0.678629 0.050178 0.839987 O\n0.568837 0.321478 0.160048 O\n0.321373 0.949822 0.160012 O\n0.949708 0.568963 0.160003 O\n",
"nsites": 11,
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"elements": [
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],
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"volume_molar": 9.19132945561728,
"formula_full": "Rb2 Li1 Os2 O6",
"formula_reduced": "Rb2Li(OsO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -73.37446992,
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"updated_at": "2021-11-28T01:37:31.374000Z",
"spacegroup": 148
},
{
"id": "mp-1235495",
"created_at": "2022-09-04T14:42:24.592995Z",
"structure_string": "Rb2 Li1 Os2 O6\n1.0\n-5.112181 -0.004616 2.186809\n-3.025829 4.661732 -0.007459\n-5.614860 -0.320261 -6.017373\nRb Li Os O\n2 1 2 6\ndirect\n0.897683 0.898072 0.305017 Rb\n0.111182 0.110610 0.669423 Rb\n0.761963 0.761774 0.716752 Li\n0.661988 0.661750 0.015141 Os\n0.334254 0.334353 0.997432 Os\n0.461427 0.647460 0.851674 O\n0.040942 0.461644 0.851425 O\n0.647328 0.040879 0.851735 O\n0.539950 0.356195 0.142197 O\n0.355954 0.961165 0.142139 O\n0.961142 0.539901 0.142251 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-O-Os-Rb",
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"density_atomic": 0.05422496212665628,
"volume": 202.85860180605908,
"volume_molar": 11.105845949571616,
"formula_full": "Rb2 Li1 Os2 O6",
"formula_reduced": "Rb2Li(OsO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -71.9958867,
"energy_per_atom": -6.545080609090909,
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"updated_at": "2021-11-28T01:35:44.138000Z",
"spacegroup": 146
},
{
"id": "mp-1235560",
"created_at": "2022-09-04T14:43:54.698252Z",
"structure_string": "Rb2 Li1 Os2 O6\n1.0\n-5.197873 -0.001513 2.232575\n-3.075059 4.746607 0.002620\n-4.884522 0.198170 -4.214670\nRb Li Os O\n2 1 2 6\ndirect\n0.878454 0.878582 0.364507 Rb\n0.121547 0.121416 0.635493 Rb\n0.500000 0.500000 0.500000 Li\n0.668612 0.668541 0.994300 Os\n0.331389 0.331457 0.005702 Os\n0.518118 0.613243 0.791426 O\n0.076988 0.518232 0.791373 O\n0.613221 0.077096 0.791399 O\n0.481883 0.386757 0.208574 O\n0.386781 0.922904 0.208600 O\n0.923011 0.481767 0.208628 O\n",
"nsites": 11,
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"elements": [
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],
"chemical_system": "Li-O-Os-Rb",
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"density_atomic": 0.07123922843050866,
"volume": 154.4093084996016,
"volume_molar": 8.453405367626049,
"formula_full": "Rb2 Li1 Os2 O6",
"formula_reduced": "Rb2Li(OsO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -73.2258911,
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"updated_at": "2021-11-28T01:36:28.463000Z",
"spacegroup": 148
},
{
"id": "mp-504810",
"created_at": "2022-09-04T14:46:04.042961Z",
"structure_string": "Rb2 Li14 Pb3 O14\n1.0\n-3.692046 4.049520 6.523851\n3.692046 -4.049520 6.523851\n3.692046 4.049520 -6.523851\nRb Li Pb O\n2 14 3 14\ndirect\n0.500000 0.234579 0.734579 Rb\n0.500000 0.765421 0.265421 Rb\n0.842039 0.500000 0.342039 Li\n0.157961 0.500000 0.657961 Li\n0.415234 0.769583 0.645652 Li\n0.584766 0.230417 0.354348 Li\n0.876069 0.230417 0.645652 Li\n0.123931 0.769583 0.354348 Li\n0.708636 0.593386 0.571858 Li\n0.291364 0.863221 0.884750 Li\n0.978472 0.406614 0.115250 Li\n0.021528 0.136779 0.428142 Li\n0.291364 0.406614 0.428142 Li\n0.708636 0.136779 0.115250 Li\n0.021528 0.593386 0.884750 Li\n0.978472 0.863221 0.571858 Li\n0.728370 0.728370 0.000000 Pb\n0.271630 0.271630 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.749115 0.040784 0.291668 O\n0.250885 0.542553 0.291668 O\n0.250885 0.959216 0.708332 O\n0.749115 0.457447 0.708332 O\n0.000000 0.705105 0.705105 O\n0.000000 0.294895 0.294895 O\n0.686243 0.872910 0.813332 O\n0.313757 0.127090 0.186668 O\n0.940422 0.127090 0.813332 O\n0.059578 0.872910 0.186668 O\n0.411164 0.629258 0.781907 O\n0.588836 0.370742 0.218093 O\n0.152649 0.370742 0.781907 O\n0.847351 0.629258 0.218093 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Li-O-Pb-Rb",
"density": 4.740052028277017,
"density_atomic": 0.08458225578079533,
"volume": 390.15275361682603,
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"formula_full": "Rb2 Li14 Pb3 O14",
"formula_reduced": "Rb2Li14Pb3O14",
"formula_anonymous": "A2B3C14D14",
"energy": -172.06390254,
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"updated_at": "2021-11-28T01:37:15.864000Z",
"spacegroup": 71
},
{
"id": "mp-1113706",
"created_at": "2022-09-04T14:46:39.107472Z",
"structure_string": "Rb2 Li1 Pd1 F6\n1.0\n5.974789 -0.000000 -0.000000\n2.987395 5.174319 -0.000000\n2.987395 1.724773 4.878395\nRb Li Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pd\n0.245665 0.754335 0.245665 F\n0.754335 0.754335 0.245665 F\n0.754335 0.245665 0.754335 F\n0.754335 0.245665 0.245665 F\n0.245665 0.754335 0.754335 F\n0.245665 0.245665 0.754335 F\n",
"nsites": 10,
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"elements": [
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"Li",
"Pd",
"F"
],
"chemical_system": "F-Li-Pd-Rb",
"density": 4.385231402071694,
"density_atomic": 0.06630515056859805,
"volume": 150.81784618910095,
"volume_molar": 9.082462988707956,
"formula_full": "Rb2 Li1 Pd1 F6",
"formula_reduced": "Rb2LiPdF6",
"formula_anonymous": "ABC2D6",
"energy": -45.5767698,
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"updated_at": "2021-11-28T01:37:44.371000Z",
"spacegroup": 225
},
{
"id": "mp-1110709",
"created_at": "2022-09-04T14:41:35.897230Z",
"structure_string": "Rb2 Li1 Pr1 Br6\n1.0\n0.000000 5.650791 5.650791\n5.650791 0.000000 5.650791\n5.650791 5.650791 0.000000\nRb Li Pr Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.743452 0.256548 0.256548 Br\n0.256548 0.256548 0.743452 Br\n0.256548 0.743452 0.743452 Br\n0.256548 0.743452 0.256548 Br\n0.743452 0.256548 0.743452 Br\n0.743452 0.743452 0.256548 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.672887106237157,
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"volume": 360.8757753965757,
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"formula_full": "Rb2 Li1 Pr1 Br6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-1110681",
"created_at": "2022-09-04T14:42:15.777404Z",
"structure_string": "Rb2 Li1 Pr1 Cl6\n1.0\n0.000000 5.345638 5.345638\n5.345638 0.000000 5.345638\n5.345638 5.345638 0.000000\nRb Li Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.743088 0.256912 0.256912 Cl\n0.256912 0.256912 0.743088 Cl\n0.256912 0.743088 0.743088 Cl\n0.256912 0.743088 0.256912 Cl\n0.743088 0.256912 0.743088 Cl\n0.743088 0.743088 0.256912 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.8888538603472482,
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"volume": 305.5122525321205,
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"formula_full": "Rb2 Li1 Pr1 Cl6",
"formula_reduced": "Rb2LiPrCl6",
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"energy": -44.06326313999999,
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"updated_at": "2021-11-28T01:35:40.505000Z",
"spacegroup": 225
},
{
"id": "mp-1110652",
"created_at": "2022-09-04T14:40:31.381148Z",
"structure_string": "Rb2 Li1 Pr1 F6\n1.0\n0.000000 4.451828 4.451828\n4.451828 0.000000 4.451828\n4.451828 4.451828 0.000000\nRb Li Pr F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.741372 0.258628 0.258628 F\n0.258628 0.258628 0.741372 F\n0.258628 0.741372 0.741372 F\n0.258628 0.741372 0.258628 F\n0.741372 0.258628 0.741372 F\n0.741372 0.741372 0.258628 F\n",
"nsites": 10,
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"elements": [
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"F"
],
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"density": 4.072544185117184,
"density_atomic": 0.05667021683109787,
"volume": 176.4595330525096,
"volume_molar": 10.626641464860853,
"formula_full": "Rb2 Li1 Pr1 F6",
"formula_reduced": "Rb2LiPrF6",
"formula_anonymous": "ABC2D6",
"energy": -55.27782317,
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"updated_at": "2021-11-28T01:35:04.304000Z",
"spacegroup": 225
},
{
"id": "mp-1110747",
"created_at": "2022-09-04T14:41:30.977491Z",
"structure_string": "Rb2 Li1 Pr1 I6\n1.0\n0.000000 6.105675 6.105675\n6.105675 0.000000 6.105675\n6.105675 6.105675 0.000000\nRb Li Pr I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.744106 0.255894 0.255894 I\n0.255894 0.255894 0.744106 I\n0.255894 0.744106 0.744106 I\n0.255894 0.744106 0.255894 I\n0.744106 0.255894 0.744106 I\n0.744106 0.744106 0.255894 I\n",
"nsites": 10,
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"elements": [
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"Pr",
"I"
],
"chemical_system": "I-Li-Pr-Rb",
"density": 3.9402762873031607,
"density_atomic": 0.02196690915566162,
"volume": 455.2301795914088,
"volume_molar": 27.414602196995432,
"formula_full": "Rb2 Li1 Pr1 I6",
"formula_reduced": "Rb2LiPrI6",
"formula_anonymous": "ABC2D6",
"energy": -34.0382643,
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"spacegroup": 225
},
{
"id": "mp-17971",
"created_at": "2022-09-04T14:47:29.475600Z",
"structure_string": "Rb2 Li14 Pr3 O14\n1.0\n-3.747562 4.189660 6.849150\n3.747562 -4.189660 6.849150\n3.747562 4.189660 -6.849150\nRb Li Pr O\n2 14 3 14\ndirect\n0.500000 0.762244 0.262244 Rb\n0.500000 0.237756 0.737756 Rb\n0.713036 0.145249 0.123781 Li\n0.978532 0.854751 0.567787 Li\n0.021468 0.589254 0.876219 Li\n0.286964 0.410746 0.432213 Li\n0.021468 0.145249 0.432213 Li\n0.158676 0.500000 0.658676 Li\n0.841324 0.500000 0.341324 Li\n0.414257 0.768581 0.645675 Li\n0.585743 0.231419 0.354325 Li\n0.877094 0.231419 0.645675 Li\n0.122906 0.768581 0.354325 Li\n0.713036 0.589254 0.567787 Li\n0.286964 0.854751 0.876219 Li\n0.978532 0.410746 0.123781 Li\n0.000000 0.000000 0.000000 Pr\n0.272091 0.272091 0.000000 Pr\n0.727909 0.727909 0.000000 Pr\n0.058043 0.867776 0.190268 O\n0.401664 0.624143 0.777521 O\n0.846623 0.624143 0.222479 O\n0.598336 0.375857 0.222479 O\n0.153377 0.375857 0.777521 O\n0.758939 0.063997 0.305058 O\n0.241061 0.546119 0.305058 O\n0.241061 0.936003 0.694942 O\n0.758939 0.453881 0.694942 O\n0.000000 0.693823 0.693823 O\n0.000000 0.306177 0.306177 O\n0.677508 0.867776 0.809732 O\n0.322492 0.132224 0.190268 O\n0.941957 0.132224 0.809732 O\n",
"nsites": 33,
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"elements": [
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"O"
],
"chemical_system": "Li-O-Pr-Rb",
"density": 3.531526279166436,
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"volume": 430.15430724833766,
"volume_molar": 7.849847838696295,
"formula_full": "Rb2 Li14 Pr3 O14",
"formula_reduced": "Rb2Li14Pr3O14",
"formula_anonymous": "A2B3C14D14",
"energy": -186.7549918,
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"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.99932,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.661000Z",
"spacegroup": 71
},
{
"id": "mp-1206187",
"created_at": "2022-09-04T14:43:33.967746Z",
"structure_string": "Rb2 Li1 Rh1 Cl6\n1.0\n3.562545 -6.170509 0.000000\n3.562545 6.170509 0.000000\n0.000000 0.000000 6.075098\nRb Li Rh Cl\n2 1 1 6\ndirect\n0.333333 0.666667 0.254900 Rb\n0.666667 0.333333 0.745100 Rb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Rh\n0.843931 0.156069 0.273027 Cl\n0.156069 0.843931 0.726973 Cl\n0.843931 0.687862 0.273027 Cl\n0.156069 0.312138 0.726973 Cl\n0.312138 0.156069 0.273027 Cl\n0.687862 0.843931 0.726973 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Rh",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Rh",
"density": 3.068115535907391,
"density_atomic": 0.037439959245321876,
"volume": 267.09430783500386,
"volume_molar": 16.084795179771643,
"formula_full": "Rb2 Li1 Rh1 Cl6",
"formula_reduced": "Rb2LiRhCl6",
"formula_anonymous": "ABC2D6",
"energy": -40.33595867,
"energy_per_atom": -4.033595867,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.65195867,
"band_gap": 1.6499,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.95e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.979000Z",
"spacegroup": 164
}
]
}