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{
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{
"id": "mp-1661570",
"created_at": "2022-09-04T14:39:49.951680Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n0.000512 4.942560 0.000018\n0.000336 0.000338 7.464203\n9.247991 0.001071 0.000470\nLi Fe P O\n4 4 4 16\ndirect\n0.917871 0.130225 0.017537 Li\n0.082053 0.630253 0.482445 Li\n0.582056 0.869614 0.517507 Li\n0.417935 0.369644 0.982544 Li\n0.171768 0.231449 0.625015 Fe\n0.828734 0.731272 0.874687 Fe\n0.329020 0.768664 0.125296 Fe\n0.671122 0.268712 0.374560 Fe\n0.865474 0.502156 0.162395 P\n0.134326 0.002144 0.337623 P\n0.634444 0.497866 0.662423 P\n0.365708 0.997838 0.837636 P\n0.711502 0.668460 0.097357 O\n0.288274 0.168480 0.402608 O\n0.788379 0.331528 0.597415 O\n0.211604 0.831506 0.902636 O\n0.724282 0.322929 0.122206 O\n0.275682 0.823011 0.377836 O\n0.775682 0.677041 0.622162 O\n0.224379 0.176952 0.877834 O\n0.157394 0.514210 0.102481 O\n0.842373 0.014171 0.397688 O\n0.342614 0.485840 0.602417 O\n0.657769 0.985830 0.897618 O\n0.142174 0.009003 0.169646 O\n0.857477 0.508980 0.330338 O\n0.357833 0.991116 0.669687 O\n0.642073 0.491104 0.830402 O\n",
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},
{
"id": "mp-6296",
"created_at": "2022-09-04T14:47:24.156434Z",
"structure_string": "K6 Cd4 Sn3 Se13\n1.0\n6.987486 -7.622812 0.000000\n6.987486 7.622812 0.000000\n-1.328418 0.000000 10.255122\nK Cd Sn Se\n6 4 3 13\ndirect\n0.794606 0.367078 0.367078 K\n0.367078 0.794606 0.367078 K\n0.367078 0.367078 0.794606 K\n0.998493 0.998493 0.578581 K\n0.578581 0.998493 0.998493 K\n0.998493 0.578581 0.998493 K\n0.528591 0.528591 0.528591 Cd\n0.635958 0.635958 0.932499 Cd\n0.635958 0.932499 0.635958 Cd\n0.932499 0.635958 0.635958 Cd\n0.294371 0.754165 0.754165 Sn\n0.754165 0.754165 0.294371 Sn\n0.754165 0.294371 0.754165 Sn\n0.972538 0.683095 0.390557 Se\n0.690074 0.690074 0.690074 Se\n0.279101 0.568237 0.568237 Se\n0.568237 0.568237 0.279101 Se\n0.568237 0.279101 0.568237 Se\n0.810893 0.810893 0.069709 Se\n0.810893 0.069709 0.810893 Se\n0.069709 0.810893 0.810893 Se\n0.390557 0.683095 0.972538 Se\n0.683095 0.972538 0.390557 Se\n0.972538 0.390557 0.683095 Se\n0.683095 0.390557 0.972538 Se\n0.390557 0.972538 0.683095 Se\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "Cd-K-Se-Sn",
"density": 3.1415918903142805,
"density_atomic": 0.023799419341346117,
"volume": 1092.463628086542,
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"formula_full": "K6 Cd4 Sn3 Se13",
"formula_reduced": "K6Cd4Sn3Se13",
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"energy": -94.25450381,
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"updated_at": "2021-11-28T01:37:59.929000Z",
"spacegroup": 160
},
{
"id": "mp-624400",
"created_at": "2022-09-04T14:41:15.522668Z",
"structure_string": "Cd10 I20\n1.0\n2.172045 -3.762092 0.000000\n2.172045 3.762092 0.000000\n0.000000 0.000000 73.648446\nCd I\n10 20\ndirect\n0.000000 0.000000 0.524999 Cd\n0.000000 0.000000 0.224996 Cd\n0.000000 0.000000 0.724996 Cd\n0.333333 0.666667 0.825003 Cd\n0.000000 0.000000 0.425008 Cd\n0.333333 0.666667 0.924988 Cd\n0.000000 0.000000 0.025000 Cd\n0.333333 0.666667 0.324998 Cd\n0.333333 0.666667 0.124988 Cd\n0.333333 0.666667 0.624987 Cd\n0.333333 0.666667 0.201499 I\n0.666667 0.333333 0.448525 I\n0.666667 0.333333 0.948502 I\n0.000000 0.000000 0.101481 I\n0.000000 0.000000 0.901470 I\n0.666667 0.333333 0.348518 I\n0.333333 0.666667 0.401500 I\n0.666667 0.333333 0.048518 I\n0.000000 0.000000 0.301486 I\n0.666667 0.333333 0.548518 I\n0.000000 0.000000 0.601479 I\n0.666667 0.333333 0.148504 I\n0.666667 0.333333 0.248516 I\n0.333333 0.666667 0.001496 I\n0.333333 0.666667 0.701499 I\n0.666667 0.333333 0.848521 I\n0.666667 0.333333 0.648504 I\n0.000000 0.000000 0.801487 I\n0.666667 0.333333 0.748516 I\n0.333333 0.666667 0.501496 I\n",
"nsites": 30,
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"elements": [
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"density": 5.052417968014197,
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"volume": 1203.6267014878908,
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"formula_full": "Cd10 I20",
"formula_reduced": "CdI2",
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"energy": -64.82961573,
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"spacegroup": 156
},
{
"id": "mp-1097528",
"created_at": "2022-09-04T14:40:28.034583Z",
"structure_string": "Be2 Cd1 Pt1\n1.0\n-4.461761 5.079083 7.169696\n4.461761 -5.079083 7.169696\n4.461761 5.079083 -7.169696\nBe Cd Pt\n2 1 1\ndirect\n0.000000 0.269552 0.269552 Be\n0.000000 0.730448 0.730448 Be\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n",
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"elements": [
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"Cd",
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"density_atomic": 0.006154710721064722,
"volume": 649.9086929154695,
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"formula_full": "Be2 Cd1 Pt1",
"formula_reduced": "Be2CdPt",
"formula_anonymous": "ABC2",
"energy": -8.0032082,
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"updated_at": "2021-11-28T01:34:49.371000Z",
"spacegroup": 71
},
{
"id": "mp-1234279",
"created_at": "2022-09-04T14:41:49.121743Z",
"structure_string": "Ca1 In4 Ge4 O14\n1.0\n-5.212115 -5.213345 -0.010815\n-5.212115 -0.010815 -5.213345\n0.000000 -5.224160 -5.224160\nCa In Ge O\n1 4 4 14\ndirect\n0.123214 0.123214 0.126786 Ca\n0.501961 0.501961 0.995147 In\n0.502291 0.994923 0.501393 In\n0.994923 0.502291 0.501393 In\n0.501961 0.501961 0.500931 In\n0.983672 0.983672 0.549724 Ge\n0.984479 0.547655 0.983933 Ge\n0.547655 0.984479 0.983933 Ge\n0.983672 0.983672 0.982932 Ge\n0.375021 0.375021 0.374979 O\n0.624448 0.624448 0.625552 O\n0.338454 0.911357 0.911804 O\n0.911357 0.338454 0.338385 O\n0.911357 0.338454 0.911804 O\n0.338454 0.911357 0.338385 O\n0.910066 0.910066 0.339934 O\n0.337103 0.337103 0.912897 O\n0.678685 0.071320 0.070345 O\n0.071320 0.678685 0.679649 O\n0.071320 0.678685 0.070345 O\n0.678685 0.071320 0.679649 O\n0.071065 0.071065 0.678935 O\n0.679207 0.679207 0.070793 O\n",
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"elements": [
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],
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"formula_full": "Ca1 In4 Ge4 O14",
"formula_reduced": "CaIn4(Ge2O7)2",
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"spacegroup": 216
},
{
"id": "mp-989594",
"created_at": "2022-09-04T14:43:13.922870Z",
"structure_string": "Cs2 Na1 Ga1 H6\n1.0\n0.000000 4.305440 4.305440\n4.305440 0.000000 4.305440\n4.305440 4.305440 0.000000\nCs Na Ga H\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.209875 0.790125 0.790125 H\n0.209875 0.790125 0.209875 H\n0.790125 0.209875 0.790125 H\n0.790125 0.790125 0.209875 H\n0.209875 0.209875 0.790125 H\n0.790125 0.209875 0.209875 H\n",
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"Ga",
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"volume": 159.61827743685834,
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"formula_full": "Cs2 Na1 Ga1 H6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "mp-3977",
"created_at": "2022-09-04T14:43:23.193306Z",
"structure_string": "Cs4 B12 O20\n1.0\n6.104336 0.000000 0.000000\n0.000000 8.562200 0.000000\n0.000000 0.000000 9.939367\nCs B O\n4 12 20\ndirect\n0.509781 0.737010 0.636751 Cs\n0.009781 0.762990 0.363249 Cs\n0.490219 0.237010 0.863249 Cs\n0.990219 0.262990 0.136751 Cs\n0.937444 0.350004 0.642613 B\n0.437444 0.149996 0.357387 B\n0.062556 0.850004 0.857387 B\n0.562556 0.649996 0.142613 B\n0.971191 0.570667 0.804400 B\n0.471191 0.929333 0.195600 B\n0.740508 0.127623 0.533664 B\n0.240508 0.372377 0.466336 B\n0.259492 0.627623 0.966336 B\n0.759492 0.872377 0.033664 B\n0.028809 0.070667 0.695600 B\n0.528809 0.429333 0.304400 B\n0.841847 0.465611 0.736099 O\n0.243579 0.783151 0.937792 O\n0.256421 0.216849 0.437792 O\n0.743579 0.716849 0.062208 O\n0.446589 0.773609 0.219678 O\n0.946589 0.726391 0.780322 O\n0.553411 0.273609 0.280322 O\n0.053411 0.226391 0.719678 O\n0.628345 0.982370 0.102891 O\n0.128345 0.517630 0.897109 O\n0.371655 0.482370 0.397109 O\n0.871655 0.017630 0.602891 O\n0.158153 0.965611 0.763901 O\n0.658153 0.534389 0.236099 O\n0.095692 0.435631 0.555523 O\n0.595692 0.064369 0.444477 O\n0.904308 0.935631 0.944477 O\n0.404308 0.564369 0.055523 O\n0.756421 0.283151 0.562208 O\n0.341847 0.034389 0.263901 O\n",
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{
"id": "mp-1095501",
"created_at": "2022-09-04T14:42:23.887458Z",
"structure_string": "Tm4 Si4 Pt4\n1.0\n4.270974 0.000000 0.000000\n0.000000 6.922267 0.000000\n0.000000 0.000000 7.429882\nTm Si Pt\n4 4 4\ndirect\n0.250000 0.497436 0.700163 Tm\n0.250000 0.997436 0.799837 Tm\n0.750000 0.502564 0.299837 Tm\n0.750000 0.002564 0.200163 Tm\n0.250000 0.814635 0.411736 Si\n0.250000 0.314635 0.088264 Si\n0.750000 0.185365 0.588264 Si\n0.750000 0.685365 0.911736 Si\n0.250000 0.201854 0.414239 Pt\n0.250000 0.701854 0.085761 Pt\n0.750000 0.798146 0.585761 Pt\n0.750000 0.298146 0.914239 Pt\n",
"nsites": 12,
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"volume": 219.66314161993031,
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"formula_full": "Tm4 Si4 Pt4",
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{
"id": "mp-558808",
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"structure_string": "Li2 Al2 Si4 O12\n1.0\n5.038597 0.000000 0.000000\n-0.019630 7.701028 0.000000\n-0.010401 -3.554923 7.946572\nLi Al Si O\n2 2 4 12\ndirect\n0.361437 0.892219 0.709821 Li\n0.864665 0.070665 0.280390 Li\n0.354909 0.089299 0.103826 Al\n0.871471 0.064890 0.622257 Al\n0.312390 0.508394 0.115404 Si\n0.371728 0.928410 0.383484 Si\n0.815684 0.494419 0.897935 Si\n0.854427 0.898705 0.894121 Si\n0.017888 0.550168 0.058616 O\n0.307138 0.329950 0.166608 O\n0.188923 0.964638 0.549529 O\n0.903311 0.305562 0.740703 O\n0.668849 0.019697 0.442903 O\n0.404720 0.699414 0.278337 O\n0.171861 0.953640 0.917110 O\n0.732027 0.945027 0.740033 O\n0.516988 0.471282 0.959737 O\n0.810606 0.672062 0.839525 O\n0.694832 0.021992 0.070219 O\n0.235748 0.027669 0.267637 O\n",
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{
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