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{
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"results": [
{
"id": "mp-559602",
"created_at": "2022-09-04T14:41:47.759525Z",
"structure_string": "Ag2 Sb2 S32 F12\n1.0\n4.127113 9.231520 0.000000\n-4.127113 9.231520 0.000000\n0.000000 3.260429 16.050128\nAg Sb S F\n2 2 32 12\ndirect\n0.166867 0.833133 0.750000 Ag\n0.833133 0.166867 0.250000 Ag\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.086974 0.275808 0.582930 S\n0.990326 0.714774 0.936985 S\n0.298923 0.899467 0.171071 S\n0.958692 0.359786 0.332844 S\n0.100533 0.701077 0.328929 S\n0.098396 0.065931 0.849299 S\n0.523628 0.215587 0.258377 S\n0.901604 0.934069 0.150701 S\n0.215587 0.523628 0.758377 S\n0.784413 0.476372 0.241623 S\n0.899467 0.298923 0.671071 S\n0.701077 0.100533 0.828929 S\n0.065931 0.098396 0.349299 S\n0.913026 0.724192 0.417070 S\n0.009674 0.285226 0.063015 S\n0.041308 0.640214 0.667156 S\n0.714774 0.990326 0.436985 S\n0.640214 0.041308 0.167156 S\n0.681750 0.065533 0.713536 S\n0.934069 0.901604 0.650701 S\n0.065533 0.681750 0.213536 S\n0.318250 0.934467 0.286464 S\n0.285226 0.009674 0.563015 S\n0.498898 0.899008 0.627573 S\n0.899008 0.498898 0.127573 S\n0.724192 0.913026 0.917070 S\n0.476372 0.784413 0.741623 S\n0.100992 0.501102 0.872427 S\n0.501102 0.100992 0.372427 S\n0.934467 0.318250 0.786464 S\n0.359786 0.958692 0.832844 S\n0.275808 0.086974 0.082930 S\n0.257999 0.705928 0.478298 F\n0.568051 0.640609 0.464980 F\n0.742002 0.294072 0.521702 F\n0.562943 0.450567 0.112847 F\n0.359391 0.431949 0.035020 F\n0.450567 0.562943 0.612847 F\n0.437057 0.549433 0.887153 F\n0.640609 0.568051 0.964980 F\n0.705928 0.257998 0.978298 F\n0.549433 0.437057 0.387153 F\n0.294072 0.742001 0.021702 F\n0.431949 0.359391 0.535020 F\n",
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"Sb",
"S",
"F"
],
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"volume": 1223.0045445552034,
"volume_molar": 15.343969827981514,
"formula_full": "Ag2 Sb2 S32 F12",
"formula_reduced": "AgSb(S8F3)2",
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"energy": -224.03970739,
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"spacegroup": 15
},
{
"id": "mp-690647",
"created_at": "2022-09-04T14:42:04.602747Z",
"structure_string": "Ni2 H24 Br4 O28\n1.0\n7.895895 -0.000034 -0.000269\n3.947581 6.838471 -0.000186\n-0.000347 -0.000103 11.223068\nNi H Br O\n2 24 4 28\ndirect\n0.999944 0.000107 0.749605 Ni\n0.000656 0.999614 0.250234 Ni\n0.774669 0.291603 0.390114 H\n0.774572 0.291739 0.890038 H\n0.291973 0.933630 0.390153 H\n0.291649 0.933753 0.890019 H\n0.933550 0.774478 0.390195 H\n0.933596 0.774731 0.890038 H\n0.225373 0.708201 0.109840 H\n0.225413 0.708226 0.609895 H\n0.708368 0.066282 0.109985 H\n0.708066 0.066323 0.609882 H\n0.066231 0.225340 0.110008 H\n0.066339 0.225483 0.609844 H\n0.920681 0.352554 0.337250 H\n0.920358 0.352762 0.836927 H\n0.352860 0.726645 0.337301 H\n0.352608 0.726964 0.836927 H\n0.726804 0.920627 0.337161 H\n0.726839 0.920415 0.836884 H\n0.079349 0.647339 0.162776 H\n0.079518 0.647333 0.663037 H\n0.647566 0.273118 0.162892 H\n0.647229 0.273132 0.663009 H\n0.273301 0.079522 0.162822 H\n0.273086 0.079662 0.663087 H\n0.333277 0.333363 0.410508 Br\n0.333285 0.333337 0.910437 Br\n0.666612 0.666716 0.089513 Br\n0.666616 0.666734 0.589566 Br\n0.333300 0.333321 0.057048 O\n0.333291 0.333338 0.557133 O\n0.666603 0.666753 0.442943 O\n0.666605 0.666718 0.942872 O\n0.909758 0.239776 0.362660 O\n0.909535 0.239938 0.862403 O\n0.240143 0.850324 0.362747 O\n0.239778 0.850648 0.862399 O\n0.850634 0.909481 0.362628 O\n0.850443 0.909667 0.862371 O\n0.090407 0.760082 0.137452 O\n0.090390 0.760072 0.637416 O\n0.760317 0.149352 0.137638 O\n0.759964 0.149578 0.637389 O\n0.149619 0.090298 0.137527 O\n0.149467 0.090504 0.637409 O\n0.489024 0.398855 0.359380 O\n0.489025 0.398843 0.859293 O\n0.398753 0.112165 0.359353 O\n0.398754 0.112163 0.859256 O\n0.112097 0.489072 0.359361 O\n0.112094 0.489069 0.859281 O\n0.510839 0.601250 0.140641 O\n0.510900 0.601194 0.640704 O\n0.601163 0.887882 0.140669 O\n0.601104 0.887921 0.640729 O\n0.887793 0.510972 0.140648 O\n0.887814 0.511031 0.640705 O\n",
"nsites": 58,
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"elements": [
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"H",
"Br",
"O"
],
"chemical_system": "Br-H-Ni-O",
"density": 2.491289975856558,
"density_atomic": 0.09570947770570028,
"volume": 606.0005904362555,
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"formula_full": "Ni2 H24 Br4 O28",
"formula_reduced": "NiH12(BrO7)2",
"formula_anonymous": "AB2C12D14",
"energy": -291.11997312,
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"updated_at": "2021-11-28T01:35:33.512000Z",
"spacegroup": 147
},
{
"id": "mp-29226",
"created_at": "2022-09-04T14:45:57.091258Z",
"structure_string": "Ca9 Ga12 O27\n1.0\n7.256464 -8.496904 0.000000\n7.256464 8.496904 0.000000\n0.000000 0.000000 5.372843\nCa Ga O\n9 12 27\ndirect\n0.000000 0.000000 0.997813 Ca\n0.597646 0.402354 0.091817 Ca\n0.402354 0.597646 0.091817 Ca\n0.661347 0.079666 0.032059 Ca\n0.338653 0.920334 0.032059 Ca\n0.920334 0.338653 0.032059 Ca\n0.079666 0.661347 0.032059 Ca\n0.759685 0.759685 0.046072 Ca\n0.240315 0.240315 0.046072 Ca\n0.015363 0.202883 0.512936 Ga\n0.202883 0.015363 0.512936 Ga\n0.797117 0.984637 0.512936 Ga\n0.984637 0.797117 0.512936 Ga\n0.464962 0.134134 0.559298 Ga\n0.535038 0.865866 0.559298 Ga\n0.865866 0.535038 0.559298 Ga\n0.134134 0.464962 0.559298 Ga\n0.611852 0.611852 0.606511 Ga\n0.388148 0.388148 0.606511 Ga\n0.737695 0.262305 0.528152 Ga\n0.262305 0.737695 0.528152 Ga\n0.000000 0.500000 0.757597 O\n0.500000 0.000000 0.757597 O\n0.245110 0.415131 0.772412 O\n0.754890 0.584869 0.772412 O\n0.584869 0.754890 0.772412 O\n0.415131 0.245110 0.772412 O\n0.271394 0.728606 0.864916 O\n0.728606 0.271394 0.864916 O\n0.976044 0.797115 0.848069 O\n0.023956 0.202885 0.848069 O\n0.202885 0.023956 0.848069 O\n0.797115 0.976044 0.848069 O\n0.500000 0.500000 0.778018 O\n0.067001 0.346099 0.336739 O\n0.932999 0.653901 0.336739 O\n0.653901 0.932999 0.336739 O\n0.346099 0.067001 0.336739 O\n0.153852 0.846148 0.401965 O\n0.846148 0.153852 0.401965 O\n0.203827 0.595027 0.358489 O\n0.796173 0.404973 0.358489 O\n0.608090 0.608090 0.267717 O\n0.391910 0.391910 0.267717 O\n0.897160 0.897160 0.338873 O\n0.102840 0.102840 0.338873 O\n0.595027 0.203827 0.358489 O\n0.404973 0.796173 0.358489 O\n",
"nsites": 48,
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"elements": [
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"Ga",
"O"
],
"chemical_system": "Ca-Ga-O",
"density": 4.083633192617933,
"density_atomic": 0.07244715492405018,
"volume": 662.5518980051141,
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"formula_full": "Ca9 Ga12 O27",
"formula_reduced": "Ca3Ga4O9",
"formula_anonymous": "A3B4C9",
"energy": -319.44918508,
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"updated_at": "2021-11-28T01:37:09.995000Z",
"spacegroup": 35
},
{
"id": "mp-26579",
"created_at": "2022-09-04T14:42:46.776837Z",
"structure_string": "Li8 Cr8 P8 O32\n1.0\n5.924823 0.000000 0.000000\n0.000000 7.416742 0.000000\n0.000000 0.000000 14.180349\nLi Cr P O\n8 8 8 32\ndirect\n0.201546 0.184948 0.221100 Li\n0.798454 0.815052 0.778900 Li\n0.298454 0.815052 0.721100 Li\n0.798454 0.684948 0.278900 Li\n0.298454 0.684948 0.221100 Li\n0.701546 0.315052 0.778900 Li\n0.201546 0.315052 0.721100 Li\n0.701546 0.184948 0.278900 Li\n0.616774 0.840118 0.451977 Cr\n0.116774 0.840118 0.048023 Cr\n0.616774 0.659882 0.951977 Cr\n0.116774 0.659882 0.548023 Cr\n0.883226 0.340118 0.451977 Cr\n0.383226 0.340118 0.048023 Cr\n0.883226 0.159882 0.951977 Cr\n0.383226 0.159882 0.548023 Cr\n0.892816 0.042822 0.626840 P\n0.392816 0.042822 0.873160 P\n0.892816 0.457178 0.126840 P\n0.392816 0.457178 0.373160 P\n0.607184 0.542822 0.626840 P\n0.107184 0.542822 0.873160 P\n0.607184 0.957178 0.126840 P\n0.107184 0.957178 0.373160 P\n0.787059 0.421229 0.222569 O\n0.439495 0.802942 0.097753 O\n0.939495 0.802942 0.402247 O\n0.017206 0.858473 0.632862 O\n0.517207 0.858473 0.867138 O\n0.712941 0.921229 0.222569 O\n0.212941 0.921229 0.277431 O\n0.793644 0.963159 0.045920 O\n0.706356 0.036841 0.545920 O\n0.206356 0.036841 0.954080 O\n0.787059 0.078771 0.722569 O\n0.287059 0.078771 0.777431 O\n0.482793 0.141527 0.132862 O\n0.982793 0.141527 0.367138 O\n0.060505 0.197058 0.597753 O\n0.939495 0.697058 0.902247 O\n0.060505 0.302942 0.097753 O\n0.560505 0.302942 0.402247 O\n0.482793 0.358473 0.632862 O\n0.982793 0.358473 0.867138 O\n0.560505 0.197058 0.902247 O\n0.287059 0.421229 0.277431 O\n0.706356 0.463159 0.045920 O\n0.206356 0.463159 0.454080 O\n0.793644 0.536841 0.545920 O\n0.293644 0.536841 0.954080 O\n0.712941 0.578771 0.722569 O\n0.212941 0.578771 0.777431 O\n0.017206 0.641527 0.132862 O\n0.517207 0.641527 0.367138 O\n0.439495 0.697058 0.597753 O\n0.293644 0.963159 0.454080 O\n",
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"formula_full": "Li8 Cr8 P8 O32",
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"spacegroup": 61
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{
"id": "mp-774255",
"created_at": "2022-09-04T14:47:00.502561Z",
"structure_string": "K6 Cr2 P2 C2 O14\n1.0\n9.942557 -0.000285 0.131937\n-0.000196 6.807099 0.000092\n0.061056 0.000076 5.732920\nK Cr P C O\n6 2 2 2 14\ndirect\n0.078295 0.249995 0.759350 K\n0.271682 0.010247 0.246139 K\n0.271680 0.489744 0.246155 K\n0.728337 0.510243 0.753822 K\n0.728331 0.989750 0.753829 K\n0.921723 0.749984 0.240612 K\n0.358457 0.750105 0.756779 Cr\n0.641579 0.250028 0.243368 Cr\n0.423244 0.249998 0.704515 P\n0.576733 0.750005 0.295498 P\n0.079961 0.749993 0.730475 C\n0.920060 0.250002 0.269526 C\n0.049552 0.249998 0.238691 O\n0.158772 0.749981 0.912619 O\n0.135196 0.749996 0.523461 O\n0.332223 0.064934 0.752014 O\n0.332202 0.435000 0.752027 O\n0.464726 0.249988 0.438624 O\n0.453060 0.749997 0.139451 O\n0.546950 0.249986 0.860530 O\n0.535217 0.749988 0.561370 O\n0.667773 0.564984 0.248006 O\n0.667771 0.935035 0.248023 O\n0.864832 0.250001 0.476525 O\n0.841202 0.250010 0.087360 O\n0.950442 0.750007 0.761230 O\n",
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],
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"volume": 387.9490172465785,
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"formula_full": "K6 Cr2 P2 C2 O14",
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"spacegroup": 11
},
{
"id": "mp-1220862",
"created_at": "2022-09-04T14:44:02.647097Z",
"structure_string": "Na12 Al6 Fe6 Te8 O48\n1.0\n-6.260360 6.260360 6.260360\n6.260360 -6.260360 6.260360\n6.260360 6.260360 -6.260360\nNa Al Fe Te O\n12 6 6 8 48\ndirect\n0.125028 0.375028 0.750000 Na\n0.374972 0.124972 0.250000 Na\n0.250000 0.374972 0.124972 Na\n0.750000 0.125028 0.375028 Na\n0.124972 0.250000 0.374972 Na\n0.375028 0.750000 0.125028 Na\n0.875028 0.625028 0.250000 Na\n0.624972 0.874972 0.750000 Na\n0.750000 0.624972 0.874972 Na\n0.250000 0.875028 0.625028 Na\n0.874972 0.750000 0.624972 Na\n0.625028 0.250000 0.875028 Na\n0.125000 0.875000 0.250000 Al\n0.375000 0.625000 0.750000 Al\n0.750000 0.375000 0.625000 Al\n0.250000 0.125000 0.875000 Al\n0.625000 0.750000 0.375000 Al\n0.875000 0.250000 0.125000 Al\n0.875000 0.125000 0.750000 Fe\n0.625000 0.375000 0.250000 Fe\n0.250000 0.625000 0.375000 Fe\n0.750000 0.875000 0.125000 Fe\n0.375000 0.250000 0.625000 Fe\n0.125000 0.750000 0.875000 Fe\n0.498435 0.500000 0.000000 Te\n0.000000 0.498435 0.500000 Te\n0.001565 0.001565 0.001565 Te\n0.500000 0.000000 0.498435 Te\n0.998435 0.500000 0.000000 Te\n0.501565 0.501565 0.501565 Te\n0.000000 0.998435 0.500000 Te\n0.500000 0.000000 0.998435 Te\n0.385638 0.575801 0.894949 O\n0.180852 0.490689 0.605051 O\n0.114362 0.009311 0.190163 O\n0.319148 0.924199 0.309837 O\n0.190163 0.114362 0.009311 O\n0.309837 0.319148 0.924199 O\n0.894949 0.385638 0.575801 O\n0.605051 0.180852 0.490689 O\n0.924199 0.309837 0.319148 O\n0.009311 0.190163 0.114362 O\n0.490689 0.605051 0.180852 O\n0.575801 0.894949 0.385638 O\n0.614512 0.425386 0.098522 O\n0.826864 0.515990 0.401478 O\n0.885488 0.984010 0.810873 O\n0.673136 0.074614 0.689127 O\n0.810873 0.885488 0.984010 O\n0.689127 0.673136 0.074614 O\n0.098522 0.614512 0.425386 O\n0.401478 0.826864 0.515990 O\n0.074614 0.689127 0.673136 O\n0.984010 0.810873 0.885488 O\n0.515990 0.401478 0.826864 O\n0.425386 0.098522 0.614512 O\n0.809837 0.424199 0.819148 O\n0.690163 0.509311 0.614362 O\n0.105051 0.990689 0.680852 O\n0.394949 0.075801 0.885638 O\n0.075801 0.885638 0.394949 O\n0.990689 0.680852 0.105051 O\n0.509311 0.614362 0.690163 O\n0.424199 0.819148 0.809837 O\n0.614362 0.690163 0.509311 O\n0.819148 0.809837 0.424199 O\n0.885638 0.394949 0.075801 O\n0.680852 0.105051 0.990689 O\n0.189127 0.574614 0.173136 O\n0.310873 0.484010 0.385488 O\n0.901478 0.015990 0.326864 O\n0.598522 0.925386 0.114512 O\n0.925386 0.114512 0.598522 O\n0.015990 0.326864 0.901478 O\n0.484010 0.385488 0.310873 O\n0.574614 0.173136 0.189127 O\n0.385488 0.310873 0.484010 O\n0.173136 0.189127 0.574614 O\n0.114512 0.598522 0.925386 O\n0.326864 0.901478 0.015990 O\n",
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"volume": 981.4268041677389,
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"formula_full": "Na12 Al6 Fe6 Te8 O48",
"formula_reduced": "Na6Al3Fe3(TeO6)4",
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