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{
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"results": [
{
"id": "mp-556934",
"created_at": "2022-09-04T14:42:09.520810Z",
"structure_string": "K4 Na4 Si4 F24\n1.0\n5.546397 0.000000 0.000000\n0.000000 9.520804 0.000000\n0.000000 0.000000 9.899183\nK Na Si F\n4 4 4 24\ndirect\n0.750000 0.985971 0.323947 K\n0.250000 0.514029 0.823947 K\n0.250000 0.014029 0.676053 K\n0.750000 0.485971 0.176053 K\n0.750000 0.126822 0.946966 Na\n0.750000 0.626822 0.553034 Na\n0.250000 0.373178 0.446966 Na\n0.250000 0.873178 0.053034 Na\n0.750000 0.271834 0.578002 Si\n0.250000 0.228166 0.078002 Si\n0.750000 0.771834 0.921998 Si\n0.250000 0.728166 0.421998 Si\n0.529406 0.171157 0.503883 F\n0.969404 0.377260 0.645402 F\n0.750000 0.165733 0.717090 F\n0.970594 0.671157 0.996117 F\n0.030596 0.622740 0.354598 F\n0.970594 0.171157 0.503883 F\n0.250000 0.620829 0.563708 F\n0.029406 0.828843 0.496117 F\n0.250000 0.834267 0.282910 F\n0.250000 0.334267 0.217090 F\n0.469404 0.122740 0.145402 F\n0.529406 0.671157 0.996117 F\n0.750000 0.665733 0.782910 F\n0.030596 0.122740 0.145402 F\n0.470594 0.828843 0.496117 F\n0.750000 0.879171 0.063708 F\n0.029406 0.328843 0.003883 F\n0.469404 0.622740 0.354598 F\n0.470594 0.328843 0.003883 F\n0.969404 0.877260 0.854598 F\n0.250000 0.120829 0.936292 F\n0.750000 0.379171 0.436292 F\n0.530596 0.877260 0.854598 F\n0.530596 0.377260 0.645402 F\n",
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"K",
"Na",
"Si",
"F"
],
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"updated_at": "2021-11-28T01:35:45.920000Z",
"spacegroup": 62
},
{
"id": "mp-1190717",
"created_at": "2022-09-04T14:42:09.584467Z",
"structure_string": "Mg1 P1 H13 O9\n1.0\n4.009392 -4.446738 0.000000\n4.009392 4.446738 0.000000\n-0.922398 0.000000 5.915901\nMg P H O\n1 1 13 9\ndirect\n0.979451 0.979451 0.979451 Mg\n0.501545 0.501545 0.501545 P\n0.349058 0.349058 0.349058 H\n0.611827 0.796954 0.183618 H\n0.183618 0.611827 0.796954 H\n0.796954 0.183618 0.611827 H\n0.575259 0.705953 0.923082 H\n0.923082 0.575259 0.705953 H\n0.705953 0.923082 0.575259 H\n0.953997 0.433775 0.036283 H\n0.036283 0.953997 0.433775 H\n0.433775 0.036283 0.953997 H\n0.844210 0.345916 0.249185 H\n0.249185 0.844210 0.345916 H\n0.345916 0.249185 0.844210 H\n0.418311 0.501475 0.737771 O\n0.737771 0.418311 0.501475 O\n0.501475 0.737771 0.418311 O\n0.649126 0.838270 0.031739 O\n0.031739 0.649126 0.838270 O\n0.838270 0.031739 0.649126 O\n0.908292 0.297441 0.106663 O\n0.106663 0.908292 0.297441 O\n0.297441 0.106663 0.908292 O\n",
"nsites": 24,
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"elements": [
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"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 1.6718017283135518,
"density_atomic": 0.11377328222594386,
"volume": 210.94583482559713,
"volume_molar": 5.293106291897734,
"formula_full": "Mg1 P1 H13 O9",
"formula_reduced": "MgPH13O9",
"formula_anonymous": "ABC9D13",
"energy": -133.16626431,
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"energy_above_hull": null,
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"energy_uncorrected": -126.98326431,
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"total_magnetization": 2e-07,
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"updated_at": "2021-11-28T01:35:41.262000Z",
"spacegroup": 146
},
{
"id": "mp-605088",
"created_at": "2022-09-04T14:42:09.599538Z",
"structure_string": "Ga6 H114 C48\n1.0\n17.462374 -5.193423 0.000000\n17.462374 5.193423 0.000000\n15.917817 0.000000 8.861674\nGa H C\n6 114 48\ndirect\n0.059537 0.250000 0.440463 Ga\n0.250000 0.440463 0.059537 Ga\n0.940463 0.750000 0.559537 Ga\n0.440463 0.059537 0.250000 Ga\n0.559537 0.940463 0.750000 Ga\n0.750000 0.559537 0.940463 Ga\n0.329762 0.427322 0.175174 H\n0.207498 0.769344 0.821807 H\n0.321807 0.269344 0.707498 H\n0.221163 0.519487 0.442283 H\n0.792502 0.230656 0.178193 H\n0.792693 0.861098 0.431293 H\n0.927322 0.829762 0.675174 H\n0.998476 0.934778 0.232915 H\n0.934778 0.232915 0.998476 H\n0.477405 0.618116 0.822677 H\n0.427322 0.175174 0.329762 H\n0.977405 0.322677 0.118116 H\n0.881703 0.205034 0.813036 H\n0.821807 0.207498 0.769344 H\n0.250000 0.113022 0.386978 H\n0.931293 0.361098 0.292693 H\n0.232915 0.998476 0.934778 H\n0.750000 0.886978 0.613022 H\n0.730656 0.292502 0.678193 H\n0.075180 0.967812 0.580028 H\n0.019487 0.721163 0.942283 H\n0.670238 0.572678 0.824826 H\n0.177323 0.522595 0.381884 H\n0.292693 0.931293 0.361098 H\n0.572678 0.824826 0.670238 H\n0.313036 0.705034 0.381703 H\n0.032188 0.419972 0.924820 H\n0.442283 0.221163 0.519487 H\n0.077321 0.280031 0.618621 H\n0.324826 0.072678 0.170238 H\n0.278837 0.057717 0.980513 H\n0.686964 0.294966 0.618297 H\n0.822677 0.477405 0.618116 H\n0.577321 0.118621 0.780031 H\n0.829762 0.675174 0.927322 H\n0.219969 0.422679 0.881379 H\n0.677323 0.881884 0.022595 H\n0.980513 0.278837 0.057717 H\n0.618116 0.822677 0.477405 H\n0.575180 0.080028 0.467812 H\n0.292502 0.678193 0.730656 H\n0.501524 0.267085 0.565222 H\n0.881884 0.022595 0.677323 H\n0.942283 0.019487 0.721163 H\n0.280031 0.618621 0.077321 H\n0.118116 0.977405 0.322677 H\n0.707307 0.068707 0.638902 H\n0.886978 0.613022 0.750000 H\n0.178193 0.792502 0.230656 H\n0.138902 0.568707 0.207307 H\n0.967812 0.580028 0.075180 H\n0.580028 0.075180 0.967812 H\n0.924820 0.032188 0.419972 H\n0.001524 0.065222 0.767085 H\n0.422679 0.881379 0.219969 H\n0.794966 0.186964 0.118297 H\n0.467812 0.575180 0.080028 H\n0.434778 0.498476 0.732915 H\n0.557717 0.778837 0.480513 H\n0.080028 0.467812 0.575180 H\n0.065222 0.767085 0.001524 H\n0.618297 0.686964 0.294966 H\n0.675174 0.927322 0.829762 H\n0.322677 0.118116 0.977405 H\n0.186964 0.118297 0.794966 H\n0.207307 0.138902 0.568707 H\n0.113022 0.386978 0.250000 H\n0.419972 0.924820 0.032188 H\n0.769344 0.821807 0.207498 H\n0.613022 0.750000 0.886978 H\n0.381884 0.177323 0.522595 H\n0.568707 0.207307 0.138902 H\n0.705034 0.381703 0.313036 H\n0.780031 0.577321 0.118621 H\n0.431293 0.792693 0.861098 H\n0.381703 0.313036 0.705034 H\n0.175174 0.329762 0.427322 H\n0.721163 0.942283 0.019487 H\n0.205034 0.813036 0.881703 H\n0.022595 0.677323 0.881884 H\n0.707498 0.321807 0.269344 H\n0.498476 0.732915 0.434778 H\n0.618621 0.077321 0.280031 H\n0.294966 0.618297 0.686964 H\n0.068707 0.638902 0.707307 H\n0.922679 0.719969 0.381379 H\n0.813036 0.881703 0.205034 H\n0.057717 0.980513 0.278837 H\n0.381379 0.922679 0.719969 H\n0.269344 0.707498 0.321807 H\n0.230656 0.178193 0.792502 H\n0.480513 0.557717 0.778837 H\n0.386978 0.250000 0.113022 H\n0.732915 0.434778 0.498476 H\n0.519487 0.442283 0.221163 H\n0.767085 0.001524 0.065222 H\n0.919972 0.532188 0.424820 H\n0.565222 0.501524 0.267085 H\n0.678193 0.730656 0.292502 H\n0.824826 0.670238 0.572678 H\n0.118621 0.780031 0.577321 H\n0.719969 0.381379 0.922679 H\n0.118297 0.794966 0.186964 H\n0.072678 0.170238 0.324826 H\n0.361098 0.292693 0.931293 H\n0.638902 0.707307 0.068707 H\n0.267085 0.565222 0.501524 H\n0.881379 0.219969 0.422679 H\n0.170238 0.324826 0.072678 H\n0.861098 0.431293 0.792693 H\n0.532188 0.424820 0.919972 H\n0.778837 0.480513 0.557717 H\n0.522595 0.381884 0.177323 H\n0.424820 0.919972 0.532188 H\n0.927422 0.211637 0.507867 C\n0.314602 0.579370 0.760970 C\n0.427422 0.007867 0.711637 C\n0.372209 0.040602 0.953712 C\n0.814602 0.260970 0.079370 C\n0.257402 0.544002 0.121079 C\n0.955998 0.242598 0.378921 C\n0.260970 0.079370 0.814602 C\n0.711637 0.427422 0.007867 C\n0.992133 0.288363 0.572578 C\n0.288363 0.572578 0.992133 C\n0.455998 0.878921 0.742598 C\n0.544002 0.121079 0.257402 C\n0.953712 0.372209 0.040602 C\n0.378921 0.955998 0.242598 C\n0.872209 0.453712 0.540602 C\n0.788363 0.492133 0.072578 C\n0.959398 0.046288 0.627791 C\n0.878921 0.742598 0.455998 C\n0.239030 0.685398 0.420630 C\n0.211637 0.507867 0.927422 C\n0.760970 0.314602 0.579370 C\n0.540602 0.872209 0.453712 C\n0.046288 0.627791 0.959398 C\n0.459398 0.127791 0.546288 C\n0.579370 0.760970 0.314602 C\n0.546288 0.459398 0.127791 C\n0.044002 0.757402 0.621079 C\n0.185398 0.739030 0.920630 C\n0.127791 0.546288 0.459398 C\n0.685398 0.420630 0.239030 C\n0.007867 0.711637 0.427422 C\n0.920630 0.185398 0.739030 C\n0.742598 0.455998 0.878921 C\n0.621079 0.044002 0.757402 C\n0.507867 0.927422 0.211637 C\n0.453712 0.540602 0.872209 C\n0.739030 0.920630 0.185398 C\n0.627791 0.959398 0.046288 C\n0.420630 0.239030 0.685398 C\n0.040602 0.953712 0.372209 C\n0.079370 0.814602 0.260970 C\n0.121079 0.257402 0.544002 C\n0.572578 0.992133 0.288363 C\n0.757402 0.621079 0.044002 C\n0.242598 0.378921 0.955998 C\n0.492133 0.072578 0.788363 C\n0.072578 0.788363 0.492133 C\n",
"nsites": 168,
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"elements": [
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"H",
"C"
],
"chemical_system": "C-Ga-H",
"density": 1.1465002379921703,
"density_atomic": 0.10452171674514728,
"volume": 1607.3214756855768,
"volume_molar": 5.761616769731822,
"formula_full": "Ga6 H114 C48",
"formula_reduced": "GaH19C8",
"formula_anonymous": "AB8C19",
"energy": -868.6775018,
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"updated_at": "2021-11-28T01:35:37.940000Z",
"spacegroup": 167
},
{
"id": "mp-755788",
"created_at": "2022-09-04T14:42:09.600796Z",
"structure_string": "Tl2 Co2 O6\n1.0\n5.162433 -2.614526 0.000000\n5.162433 2.614526 0.000000\n3.838300 0.000000 4.330578\nTl Co O\n2 2 6\ndirect\n0.873350 0.873350 0.873350 Tl\n0.126650 0.126650 0.126650 Tl\n0.660801 0.660801 0.660801 Co\n0.339199 0.339199 0.339199 Co\n0.309817 0.529706 0.944289 O\n0.944289 0.309817 0.529706 O\n0.529706 0.944289 0.309817 O\n0.470294 0.055711 0.690183 O\n0.055711 0.690183 0.470294 O\n0.690183 0.470294 0.055711 O\n",
"nsites": 10,
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"elements": [
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"Co",
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],
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"density": 8.84413697374225,
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"volume": 116.90235340971311,
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"formula_full": "Tl2 Co2 O6",
"formula_reduced": "TlCoO3",
"formula_anonymous": "ABC3",
"energy": -59.67864613,
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"updated_at": "2021-11-28T01:35:47.108000Z",
"spacegroup": 148
},
{
"id": "mp-10161",
"created_at": "2022-09-04T14:42:14.468068Z",
"structure_string": "K1 Zn1 Sb1\n1.0\n2.284339 -3.956591 0.000000\n2.284339 3.956591 0.000000\n0.000000 0.000000 5.445755\nK Zn Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Zn\n0.666667 0.333333 0.500000 Sb\n",
"nsites": 3,
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],
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"formula_full": "K1 Zn1 Sb1",
"formula_reduced": "KZnSb",
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"energy": -7.86233591,
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"updated_at": "2021-11-28T01:35:40.089000Z",
"spacegroup": 187
},
{
"id": "mp-541148",
"created_at": "2022-09-04T14:42:08.141079Z",
"structure_string": "K4 U4 V4 O24\n1.0\n8.484351 0.000000 0.000000\n0.000000 6.932488 0.000000\n0.000000 2.749144 10.232605\nK U V O\n4 4 4 24\ndirect\n0.232187 0.538670 0.637342 K\n0.267813 0.538670 0.137342 K\n0.732187 0.461330 0.862658 K\n0.767813 0.461330 0.362658 K\n0.020592 0.989283 0.819604 U\n0.520592 0.010717 0.680396 U\n0.979408 0.010717 0.180396 U\n0.479408 0.989283 0.319604 U\n0.648148 0.889162 0.055230 V\n0.148148 0.110838 0.444770 V\n0.851852 0.889162 0.555230 V\n0.351852 0.110838 0.944770 V\n0.655152 0.969768 0.492937 O\n0.939446 0.279446 0.124983 O\n0.559691 0.036508 0.892662 O\n0.518984 0.258883 0.264281 O\n0.155152 0.030232 0.007063 O\n0.439446 0.720554 0.375017 O\n0.018984 0.741117 0.235719 O\n0.060554 0.720554 0.875017 O\n0.981016 0.258883 0.764281 O\n0.134940 0.351400 0.431894 O\n0.865060 0.648600 0.568106 O\n0.481016 0.741117 0.735719 O\n0.059691 0.963492 0.607338 O\n0.210219 0.076350 0.284263 O\n0.710219 0.923650 0.215737 O\n0.940309 0.036508 0.392662 O\n0.560554 0.279446 0.624983 O\n0.789781 0.923650 0.715737 O\n0.844848 0.969768 0.992937 O\n0.344848 0.030232 0.507063 O\n0.634940 0.648600 0.068106 O\n0.365060 0.351400 0.931894 O\n0.289781 0.076350 0.784263 O\n0.440309 0.963492 0.107338 O\n",
"nsites": 36,
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"elements": [
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],
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"formula_full": "K4 U4 V4 O24",
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"updated_at": "2021-11-28T01:35:34.338000Z",
"spacegroup": 14
},
{
"id": "mp-9406",
"created_at": "2022-09-04T14:42:08.142246Z",
"structure_string": "Li2 La2 Ti3 O10\n1.0\n-1.938445 1.938445 13.378865\n1.938445 -1.938445 13.378865\n1.938445 1.938445 -13.378865\nLi La Ti O\n2 2 3 10\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.418837 0.418837 0.000000 La\n0.581163 0.581163 0.000000 La\n0.157717 0.157717 0.000000 Ti\n0.842283 0.842283 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.357476 0.857476 0.500000 O\n0.775454 0.775454 0.000000 O\n0.224546 0.224546 0.000000 O\n0.500000 0.000000 0.500000 O\n0.857476 0.357476 0.500000 O\n0.000000 0.500000 0.500000 O\n0.927367 0.927367 0.000000 O\n0.072633 0.072633 0.000000 O\n0.142524 0.642524 0.500000 O\n0.642524 0.142524 0.500000 O\n",
"nsites": 17,
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"elements": [
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"La",
"Ti",
"O"
],
"chemical_system": "La-Li-O-Ti",
"density": 4.915751863582342,
"density_atomic": 0.08454008734953423,
"volume": 201.08803448135615,
"volume_molar": 7.123414404696826,
"formula_full": "Li2 La2 Ti3 O10",
"formula_reduced": "Li2La2Ti3O10",
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