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{
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"results": [
{
"id": "mp-1221678",
"created_at": "2022-09-04T14:42:23.099067Z",
"structure_string": "Mn1 Cd4 S5\n1.0\n16.979214 -2.082410 0.000000\n16.979214 2.082410 0.000000\n16.723818 0.000000 3.597786\nMn Cd S\n1 4 5\ndirect\n0.400446 0.400446 0.400446 Mn\n0.001323 0.001323 0.001323 Cd\n0.600189 0.600189 0.600189 Cd\n0.199739 0.199739 0.199739 Cd\n0.798144 0.798144 0.798144 Cd\n0.950804 0.950804 0.950804 S\n0.550019 0.550019 0.550019 S\n0.149321 0.149321 0.149321 S\n0.747247 0.747247 0.747247 S\n0.352768 0.352768 0.352768 S\n",
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{
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"structure_string": "Li11 V6 O5 F19\n1.0\n5.146925 0.000000 0.000000\n0.149696 5.450475 0.000000\n0.083412 2.721262 16.077909\nLi V O F\n11 6 5 19\ndirect\n0.529020 0.527462 0.203586 Li\n0.512941 0.329585 0.434520 Li\n0.006191 0.176012 0.777953 Li\n0.005988 0.499800 0.094670 Li\n0.508446 0.974443 0.882844 Li\n0.999579 0.181946 0.555413 Li\n0.976151 0.026524 0.205287 Li\n0.990678 0.826467 0.436913 Li\n0.510401 0.032142 0.109749 Li\n0.000043 0.530579 0.896872 Li\n0.517687 0.663780 0.554522 Li\n0.981844 0.329833 0.337715 V\n0.485742 0.176852 0.664732 V\n0.000550 0.992666 0.001994 V\n0.501671 0.493018 0.001947 V\n0.530836 0.833336 0.339056 V\n0.014062 0.653077 0.666868 V\n0.800965 0.593270 0.375639 O\n0.712593 0.095588 0.372901 O\n0.799472 0.267774 0.035130 O\n0.187261 0.697368 0.978258 O\n0.186954 0.378216 0.631984 O\n0.693487 0.766543 0.052422 F\n0.317353 0.534716 0.301276 F\n0.641635 0.296907 0.551489 F\n0.862025 0.092832 0.885275 F\n0.356191 0.057100 0.777590 F\n0.362587 0.372028 0.120306 F\n0.157219 0.213043 0.450760 F\n0.871638 0.382135 0.211996 F\n0.830797 0.976240 0.696985 F\n0.325803 0.877480 0.625656 F\n0.196298 0.035439 0.298867 F\n0.644580 0.632046 0.893094 F\n0.153618 0.902509 0.118770 F\n0.867357 0.798455 0.555789 F\n0.094648 0.539457 0.783127 F\n0.644190 0.879323 0.215127 F\n0.352873 0.716133 0.451378 F\n0.684655 0.457679 0.697352 F\n0.317239 0.202587 0.957426 F\n",
"nsites": 41,
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"elements": [
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"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.029839207485241,
"density_atomic": 0.09090171954531816,
"volume": 451.0365723011417,
"volume_molar": 6.6248920153790065,
"formula_full": "Li11 V6 O5 F19",
"formula_reduced": "Li11V6O5F19",
"formula_anonymous": "A5B6C11D19",
"energy": -259.31322132,
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"updated_at": "2021-11-28T01:35:50.567000Z",
"spacegroup": 1
},
{
"id": "mp-248",
"created_at": "2022-09-04T14:42:22.205160Z",
"structure_string": "Fe6 N3\n1.0\n2.376130 -4.115578 0.000000\n2.376130 4.115578 0.000000\n0.000000 0.000000 4.320567\nFe N\n6 3\ndirect\n0.000000 0.669744 0.747997 Fe\n0.669744 0.000000 0.747997 Fe\n0.330256 0.330256 0.747997 Fe\n0.669744 0.669744 0.252003 Fe\n0.000000 0.330256 0.252003 Fe\n0.330256 0.000000 0.252003 Fe\n0.666667 0.333333 0.500000 N\n0.333333 0.666667 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 9,
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"elements": [
"Fe",
"N"
],
"chemical_system": "Fe-N",
"density": 7.410072441950495,
"density_atomic": 0.1065051810492497,
"volume": 84.50293132536206,
"volume_molar": 5.654317189710485,
"formula_full": "Fe6 N3",
"formula_reduced": "Fe2N",
"formula_anonymous": "AB2",
"energy": -77.17922176,
"energy_per_atom": -8.575469084444444,
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"updated_at": "2021-11-28T01:35:47.198000Z",
"spacegroup": 162
},
{
"id": "mp-17523",
"created_at": "2022-09-04T14:42:26.672482Z",
"structure_string": "Na4 Cr4 F16\n1.0\n5.415460 0.000000 0.000000\n0.000000 7.533018 0.000000\n0.000000 1.567853 7.838763\nNa Cr F\n4 4 16\ndirect\n0.220011 0.889567 0.363852 Na\n0.720011 0.610433 0.636148 Na\n0.779989 0.110433 0.636148 Na\n0.279989 0.389567 0.363852 Na\n0.742371 0.702068 0.168791 Cr\n0.242371 0.797932 0.831209 Cr\n0.257629 0.297932 0.831209 Cr\n0.757629 0.202068 0.168791 Cr\n0.481148 0.125888 0.309592 F\n0.981148 0.374112 0.690408 F\n0.518852 0.874112 0.690408 F\n0.018852 0.625888 0.309592 F\n0.955756 0.186985 0.369698 F\n0.455756 0.313015 0.630302 F\n0.044244 0.813015 0.630302 F\n0.544244 0.686985 0.369698 F\n0.859233 0.951199 0.167955 F\n0.359233 0.548801 0.832045 F\n0.140767 0.048801 0.832045 F\n0.640767 0.451199 0.167955 F\n0.439261 0.794805 0.039864 F\n0.939261 0.705195 0.960136 F\n0.560739 0.205195 0.960136 F\n0.060739 0.294805 0.039864 F\n",
"nsites": 24,
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"elements": [
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"Cr",
"F"
],
"chemical_system": "Cr-F-Na",
"density": 3.135993316653476,
"density_atomic": 0.07505149542833645,
"volume": 319.78043692569196,
"volume_molar": 8.024011681086744,
"formula_full": "Na4 Cr4 F16",
"formula_reduced": "NaCrF4",
"formula_anonymous": "ABC4",
"energy": -148.196154,
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"updated_at": "2021-11-28T01:35:49.406000Z",
"spacegroup": 14
},
{
"id": "mp-757078",
"created_at": "2022-09-04T14:42:23.110759Z",
"structure_string": "V4 Fe2 O12\n1.0\n6.886871 0.043867 -0.091746\n-0.662435 6.852911 0.091066\n-1.470649 1.325919 5.575673\nV Fe O\n4 2 12\ndirect\n0.208709 0.613437 0.757619 V\n0.386569 0.791317 0.257639 V\n0.613415 0.208655 0.742402 V\n0.791307 0.386592 0.242400 V\n0.087349 0.087250 0.750075 Fe\n0.912644 0.912690 0.249944 Fe\n0.039835 0.804989 0.643921 O\n0.095297 0.385391 0.776960 O\n0.195114 0.960217 0.143885 O\n0.368592 0.647778 0.553181 O\n0.385479 0.095287 0.722881 O\n0.352202 0.631372 0.053114 O\n0.647785 0.368664 0.946838 O\n0.614531 0.904676 0.277087 O\n0.631368 0.352233 0.446798 O\n0.804901 0.039770 0.856165 O\n0.904719 0.614610 0.223014 O\n0.960184 0.195071 0.356078 O\n",
"nsites": 18,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-O-V",
"density": 3.2207869206792257,
"density_atomic": 0.06880074987230277,
"volume": 261.6250554450176,
"volume_molar": 8.753016167959448,
"formula_full": "V4 Fe2 O12",
"formula_reduced": "V2FeO6",
"formula_anonymous": "AB2C6",
"energy": -152.18447033,
"energy_per_atom": -8.454692796111111,
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"updated_at": "2021-11-28T01:35:45.069000Z",
"spacegroup": 15
},
{
"id": "mp-1179355",
"created_at": "2022-09-04T14:42:24.298754Z",
"structure_string": "Sr2 N4 O20\n1.0\n7.087851 5.094339 0.000000\n-7.087851 5.094339 0.000000\n0.000000 3.626614 5.751886\nSr N O\n2 4 20\ndirect\n0.205986 0.794014 0.250000 Sr\n0.794014 0.205986 0.750000 Sr\n0.825754 0.654184 0.653982 N\n0.345816 0.174246 0.846018 N\n0.174246 0.345816 0.346018 N\n0.654184 0.825754 0.153982 N\n0.920353 0.813758 0.486678 O\n0.186242 0.079647 0.013322 O\n0.079647 0.186242 0.513322 O\n0.813758 0.920353 0.986678 O\n0.899275 0.543870 0.646945 O\n0.456130 0.100725 0.853055 O\n0.100725 0.456130 0.353055 O\n0.543870 0.899275 0.146945 O\n0.677716 0.602516 0.813439 O\n0.397484 0.322284 0.686561 O\n0.322284 0.397484 0.186561 O\n0.602516 0.677716 0.313439 O\n0.292379 0.612572 0.720441 O\n0.387428 0.707621 0.779559 O\n0.707621 0.387428 0.279559 O\n0.612572 0.292379 0.220441 O\n0.090533 0.807628 0.854488 O\n0.192372 0.909467 0.645512 O\n0.909467 0.192372 0.145512 O\n0.807628 0.090533 0.354488 O\n",
"nsites": 26,
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"elements": [
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"N",
"O"
],
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"density": 2.20373208709791,
"density_atomic": 0.06259370541369966,
"volume": 415.3772304764286,
"volume_molar": 9.621000578569289,
"formula_full": "Sr2 N4 O20",
"formula_reduced": "Sr(NO5)2",
"formula_anonymous": "AB2C10",
"energy": -156.19453473,
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"updated_at": "2021-11-28T01:35:46.839000Z",
"spacegroup": 15
},
{
"id": "mp-1224486",
"created_at": "2022-09-04T14:42:24.311247Z",
"structure_string": "K6 Mn8 P10 H6 O40\n1.0\n5.304836 6.357779 0.000000\n-5.304836 6.357779 0.000000\n0.000000 3.273999 13.459662\nK Mn P H O\n6 8 10 6 40\ndirect\n0.000337 0.999445 0.748209 K\n0.999445 0.000337 0.248209 K\n0.691262 0.838637 0.584406 K\n0.167153 0.312306 0.914747 K\n0.312306 0.167153 0.414747 K\n0.838637 0.691262 0.084406 K\n0.041478 0.477666 0.666756 Mn\n0.521523 0.956681 0.833011 Mn\n0.956681 0.521523 0.333011 Mn\n0.477666 0.041478 0.166756 Mn\n0.502087 0.498644 0.500276 Mn\n0.498644 0.502087 0.000276 Mn\n0.355647 0.645499 0.248875 Mn\n0.645499 0.355647 0.748875 Mn\n0.376866 0.623067 0.749809 P\n0.623067 0.376866 0.249809 P\n0.145633 0.730321 0.463620 P\n0.266254 0.858169 0.036789 P\n0.858169 0.266254 0.536789 P\n0.730321 0.145633 0.963620 P\n0.340596 0.207521 0.657878 P\n0.792334 0.659635 0.842384 P\n0.659635 0.792334 0.342384 P\n0.207521 0.340596 0.157878 P\n0.349828 0.936862 0.668157 H\n0.063108 0.650606 0.831742 H\n0.650606 0.063108 0.331742 H\n0.936862 0.349828 0.168157 H\n0.014062 0.989674 0.494707 H\n0.989674 0.014062 0.994707 H\n0.343775 0.344983 0.565512 O\n0.655014 0.657072 0.934902 O\n0.657072 0.655014 0.434902 O\n0.344983 0.343775 0.065512 O\n0.138559 0.670958 0.363938 O\n0.332984 0.861809 0.135407 O\n0.861809 0.332984 0.635407 O\n0.670958 0.138559 0.863938 O\n0.492998 0.172239 0.712259 O\n0.827528 0.507110 0.788297 O\n0.507110 0.827528 0.288297 O\n0.172239 0.492998 0.212259 O\n0.330864 0.042872 0.615077 O\n0.957176 0.669592 0.884915 O\n0.669592 0.957176 0.384915 O\n0.042872 0.330864 0.115077 O\n0.109348 0.925949 0.442322 O\n0.074682 0.899501 0.057025 O\n0.899501 0.074682 0.557025 O\n0.925949 0.109348 0.942322 O\n0.192247 0.612192 0.744319 O\n0.387546 0.807637 0.755526 O\n0.807637 0.387546 0.255526 O\n0.612192 0.192247 0.244319 O\n0.323821 0.683416 0.489162 O\n0.313484 0.677974 0.011590 O\n0.677974 0.313484 0.511590 O\n0.683416 0.323821 0.989162 O\n0.178726 0.251249 0.728403 O\n0.748398 0.821370 0.771822 O\n0.821370 0.748398 0.271822 O\n0.251249 0.178726 0.228403 O\n0.499903 0.564263 0.658471 O\n0.436253 0.500041 0.841093 O\n0.500041 0.436253 0.341093 O\n0.564263 0.499903 0.158471 O\n0.014509 0.667374 0.548379 O\n0.338253 0.986026 0.951914 O\n0.986026 0.338253 0.451914 O\n0.667374 0.014509 0.048379 O\n",
"nsites": 70,
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"elements": [
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"P",
"H",
"O"
],
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"density": 2.980963368057032,
"density_atomic": 0.07710037683178561,
"volume": 907.907365391003,
"volume_molar": 7.8107799306076755,
"formula_full": "K6 Mn8 P10 H6 O40",
"formula_reduced": "K3Mn4P5H3O20",
"formula_anonymous": "A3B3C4D5E20",
"energy": -522.91835391,
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"updated_at": "2021-11-28T01:35:46.582000Z",
"spacegroup": 9
},
{
"id": "mp-1076505",
"created_at": "2022-09-04T14:42:22.511426Z",
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"formula_full": "Sr24 Ca8 Ti8 Mn24 O80",
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{
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{
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{
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"structure_string": "Cd12 Ga20 O48\n1.0\n-6.234129 6.234129 6.234129\n6.234129 -6.234129 6.234129\n6.234129 6.234129 -6.234129\nCd Ga O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Cd\n0.750000 0.625000 0.875000 Cd\n0.750000 0.125000 0.375000 Cd\n0.125000 0.250000 0.375000 Cd\n0.375000 0.750000 0.125000 Cd\n0.250000 0.875000 0.625000 Cd\n0.875000 0.750000 0.625000 Cd\n0.625000 0.250000 0.875000 Cd\n0.375000 0.125000 0.250000 Cd\n0.625000 0.875000 0.750000 Cd\n0.125000 0.375000 0.750000 Cd\n0.875000 0.625000 0.250000 Cd\n0.250000 0.625000 0.375000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.477008 0.380876 0.299196 O\n0.522992 0.619124 0.700804 O\n0.581680 0.177812 0.200804 O\n0.918320 0.119124 0.596132 O\n0.299196 0.477008 0.380876 O\n0.322187 0.918320 0.299196 O\n0.418320 0.822187 0.799196 O\n0.081680 0.880876 0.403868 O\n0.700804 0.522992 0.619124 O\n0.677812 0.081680 0.700804 O\n0.022992 0.322187 0.903868 O\n0.200804 0.581680 0.177812 O\n0.119124 0.022992 0.200804 O\n0.977008 0.677812 0.096132 O\n0.799196 0.418320 0.822187 O\n0.880876 0.977008 0.799196 O\n0.596132 0.918320 0.119124 O\n0.177812 0.477008 0.596132 O\n0.403868 0.081680 0.880876 O\n0.822187 0.522992 0.403868 O\n0.903868 0.022992 0.322187 O\n0.380876 0.581680 0.903868 O\n0.096132 0.977008 0.677813 O\n0.619124 0.418320 0.096132 O\n0.380876 0.299196 0.477008 O\n0.581680 0.903868 0.380876 O\n0.619124 0.700804 0.522992 O\n0.418320 0.096132 0.619124 O\n0.119124 0.596132 0.918320 O\n0.022992 0.200804 0.119124 O\n0.880876 0.403868 0.081680 O\n0.977008 0.799196 0.880876 O\n0.322187 0.903868 0.022992 O\n0.918320 0.299196 0.322187 O\n0.677812 0.096132 0.977008 O\n0.081680 0.700804 0.677813 O\n0.177812 0.200804 0.581680 O\n0.477008 0.596132 0.177813 O\n0.822187 0.799196 0.418320 O\n0.522992 0.403868 0.822187 O\n0.299196 0.322187 0.918320 O\n0.700804 0.677812 0.081680 O\n0.200804 0.119124 0.022992 O\n0.799196 0.880876 0.977008 O\n0.903868 0.380876 0.581680 O\n0.096132 0.619124 0.418320 O\n0.596132 0.177812 0.477008 O\n0.403868 0.822187 0.522992 O\n",
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{
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}
]
}