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{
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{
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"structure_string": "Pr1 Dy1 Zn2\n1.0\n0.000000 3.643408 3.643408\n3.643408 0.000000 3.643408\n3.643408 3.643408 0.000000\nPr Dy Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
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{
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"structure_string": "Ni16 B6 Sb2 O30\n1.0\n6.213128 0.000000 0.000000\n-1.717894 7.969259 0.000000\n-0.809280 -3.041766 10.740254\nNi B Sb O\n16 6 2 30\ndirect\n0.549428 0.328920 0.711472 Ni\n0.882016 0.668066 0.713544 Ni\n0.215680 0.998902 0.713777 Ni\n0.784320 0.001098 0.286223 Ni\n0.117984 0.331934 0.286456 Ni\n0.450572 0.671080 0.288528 Ni\n0.167011 0.164921 0.497906 Ni\n0.500000 0.500000 0.500000 Ni\n0.832989 0.835079 0.502094 Ni\n0.500000 0.000000 0.500000 Ni\n0.833591 0.333125 0.499905 Ni\n0.166409 0.666875 0.500095 Ni\n0.500000 0.000000 0.000000 Ni\n0.833301 0.325325 0.998195 Ni\n0.166699 0.674675 0.001805 Ni\n0.000000 0.000000 0.000000 Ni\n0.273684 0.980872 0.236583 B\n0.606633 0.318103 0.241315 B\n0.939702 0.650462 0.241103 B\n0.726316 0.019128 0.763417 B\n0.060298 0.349538 0.758897 B\n0.393367 0.681897 0.758685 B\n0.674697 0.674799 0.000332 Sb\n0.325303 0.325201 0.999668 Sb\n0.563646 0.071144 0.702487 O\n0.896006 0.403083 0.704901 O\n0.230368 0.736906 0.704892 O\n0.436354 0.928856 0.297513 O\n0.769632 0.263094 0.295108 O\n0.103994 0.596917 0.295099 O\n0.243236 0.929792 0.103290 O\n0.574688 0.267588 0.104231 O\n0.905638 0.596837 0.103567 O\n0.756764 0.070208 0.896710 O\n0.094362 0.403163 0.896433 O\n0.425312 0.732412 0.895769 O\n0.138898 0.079281 0.296620 O\n0.470251 0.414472 0.296787 O\n0.802132 0.745396 0.296626 O\n0.861102 0.920719 0.703380 O\n0.197868 0.254604 0.703374 O\n0.529749 0.585528 0.703213 O\n0.507527 0.262104 0.529430 O\n0.840854 0.595018 0.530675 O\n0.173071 0.927591 0.530890 O\n0.826929 0.072409 0.469110 O\n0.159146 0.404982 0.469325 O\n0.492473 0.737896 0.470570 O\n0.586595 0.411607 0.909983 O\n0.919303 0.733996 0.905950 O\n0.264951 0.079575 0.906340 O\n0.735049 0.920425 0.093660 O\n0.080697 0.266004 0.094050 O\n0.413405 0.588393 0.090017 O\n",
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{
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{
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},
{
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},
{
"id": "mp-1255815",
"created_at": "2022-09-04T14:42:44.330352Z",
"structure_string": "Ca2 Si4 Sn2 O12\n1.0\n4.870215 5.354413 0.000000\n-4.870215 5.354413 0.000000\n0.000000 1.327032 5.260248\nCa Si Sn O\n2 4 2 12\ndirect\n0.678594 0.321406 0.250000 Ca\n0.321406 0.678594 0.750000 Ca\n0.812161 0.616644 0.738018 Si\n0.383356 0.187839 0.761982 Si\n0.616644 0.812161 0.238018 Si\n0.187839 0.383356 0.261982 Si\n0.887408 0.112592 0.750000 Sn\n0.112592 0.887408 0.250000 Sn\n0.689434 0.661943 0.491884 O\n0.338057 0.310566 0.008116 O\n0.310566 0.338057 0.508116 O\n0.661943 0.689434 0.991884 O\n0.824928 0.391940 0.842709 O\n0.608060 0.175072 0.657291 O\n0.175072 0.608060 0.157291 O\n0.391940 0.824928 0.342709 O\n0.708156 0.012606 0.165156 O\n0.987394 0.291844 0.334844 O\n0.012606 0.708156 0.665156 O\n0.291844 0.987394 0.834844 O\n",
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"elements": [
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],
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"volume": 274.3444734552077,
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"formula_full": "Ca2 Si4 Sn2 O12",
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{
"id": "mp-571190",
"created_at": "2022-09-04T14:42:44.339003Z",
"structure_string": "Ga8 Hg16 Sb8 Cl32\n1.0\n8.985617 0.000000 0.000000\n0.000000 12.503380 0.000000\n0.000000 0.000000 18.222802\nGa Hg Sb Cl\n8 16 8 32\ndirect\n0.915491 0.391534 0.625952 Ga\n0.084509 0.391534 0.125952 Ga\n0.415491 0.108466 0.625952 Ga\n0.584509 0.108466 0.125952 Ga\n0.084509 0.608466 0.374048 Ga\n0.584509 0.891534 0.374048 Ga\n0.415491 0.891534 0.874048 Ga\n0.915491 0.608466 0.874048 Ga\n0.676605 0.762397 0.622429 Hg\n0.463504 0.500000 0.750000 Hg\n0.323395 0.237603 0.377571 Hg\n0.823395 0.262397 0.377571 Hg\n0.823395 0.737603 0.122429 Hg\n0.323395 0.762397 0.122429 Hg\n0.176605 0.262397 0.877571 Hg\n0.036496 0.000000 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.963504 0.000000 0.750000 Hg\n0.536496 0.500000 0.250000 Hg\n0.176605 0.737603 0.622429 Hg\n0.500000 0.500000 0.000000 Hg\n0.676605 0.237603 0.877571 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.060600 0.878118 0.123849 Sb\n0.560600 0.378118 0.376151 Sb\n0.439400 0.378118 0.876151 Sb\n0.939400 0.878118 0.623849 Sb\n0.439400 0.621882 0.623849 Sb\n0.560600 0.621882 0.123849 Sb\n0.060600 0.121882 0.376151 Sb\n0.939400 0.121882 0.876151 Sb\n0.140446 0.419017 0.666674 Cl\n0.410045 0.752737 0.949198 Cl\n0.759517 0.641413 0.782939 Cl\n0.240483 0.641413 0.282939 Cl\n0.140446 0.580983 0.833326 Cl\n0.589955 0.247263 0.050802 Cl\n0.859554 0.419017 0.166674 Cl\n0.259517 0.141413 0.717061 Cl\n0.359554 0.080983 0.166674 Cl\n0.640446 0.080983 0.666674 Cl\n0.089955 0.252737 0.050802 Cl\n0.759517 0.358587 0.717061 Cl\n0.910045 0.252737 0.550802 Cl\n0.640446 0.919017 0.833326 Cl\n0.910045 0.747263 0.949198 Cl\n0.410045 0.247263 0.550802 Cl\n0.160044 0.535242 0.065155 Cl\n0.839956 0.464758 0.934845 Cl\n0.660044 0.964758 0.065155 Cl\n0.339956 0.035242 0.934845 Cl\n0.160044 0.464758 0.434845 Cl\n0.359554 0.919017 0.333326 Cl\n0.089955 0.747263 0.449198 Cl\n0.859554 0.580983 0.333326 Cl\n0.660044 0.035242 0.434845 Cl\n0.740483 0.858587 0.282939 Cl\n0.839956 0.535242 0.565155 Cl\n0.589955 0.752737 0.449198 Cl\n0.339956 0.964758 0.565155 Cl\n0.740483 0.141413 0.217061 Cl\n0.240483 0.358587 0.217061 Cl\n0.259517 0.858587 0.782939 Cl\n",
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],
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"density": 4.765688061930044,
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"formula_full": "Ga8 Hg16 Sb8 Cl32",
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"energy": -190.63544128,
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{
"id": "mp-14648",
"created_at": "2022-09-04T14:42:43.038209Z",
"structure_string": "Na12 Zn12 P12 O48\n1.0\n8.268706 0.000000 0.000000\n0.000000 8.801765 0.000000\n0.000000 8.732255 15.500765\nNa Zn P O\n12 12 12 48\ndirect\n0.468910 0.206887 0.065112 Na\n0.968910 0.793113 0.434888 Na\n0.531090 0.793113 0.934888 Na\n0.031090 0.206887 0.565112 Na\n0.531605 0.855609 0.408062 Na\n0.031605 0.144391 0.091938 Na\n0.468395 0.144391 0.591938 Na\n0.968395 0.855609 0.908062 Na\n0.542715 0.493854 0.247525 Na\n0.042715 0.506146 0.252475 Na\n0.457285 0.506146 0.752475 Na\n0.957285 0.493854 0.747525 Na\n0.219301 0.820259 0.265056 Zn\n0.719301 0.179741 0.234944 Zn\n0.780699 0.179741 0.734944 Zn\n0.280699 0.820259 0.765056 Zn\n0.713426 0.469739 0.421211 Zn\n0.213426 0.530261 0.078789 Zn\n0.286574 0.530261 0.578789 Zn\n0.786574 0.469739 0.921211 Zn\n0.218045 0.154514 0.407391 Zn\n0.718045 0.845486 0.092609 Zn\n0.781955 0.845486 0.592609 Zn\n0.281955 0.154514 0.907391 Zn\n0.826716 0.809749 0.266569 P\n0.326716 0.190251 0.233431 P\n0.173284 0.190251 0.733431 P\n0.673284 0.809749 0.766569 P\n0.325103 0.476060 0.421467 P\n0.825103 0.523940 0.078533 P\n0.674897 0.523940 0.578533 P\n0.174897 0.476060 0.921467 P\n0.826412 0.150015 0.408326 P\n0.326412 0.849985 0.091674 P\n0.173588 0.849985 0.591674 P\n0.673588 0.150015 0.908326 P\n0.347443 0.092706 0.333177 O\n0.847443 0.907294 0.166823 O\n0.652557 0.907294 0.666823 O\n0.152557 0.092706 0.833177 O\n0.237864 0.074576 0.202615 O\n0.737864 0.925424 0.297385 O\n0.762136 0.925424 0.797385 O\n0.262136 0.074576 0.702615 O\n0.229644 0.362013 0.203866 O\n0.729644 0.637987 0.296134 O\n0.770356 0.637987 0.796134 O\n0.270356 0.362013 0.703866 O\n0.495421 0.240159 0.189082 O\n0.995421 0.759841 0.310918 O\n0.504579 0.759841 0.810918 O\n0.004579 0.240159 0.689082 O\n0.231422 0.408464 0.367758 O\n0.731422 0.591536 0.132242 O\n0.768578 0.591536 0.632242 O\n0.268578 0.408464 0.867758 O\n0.230985 0.743282 0.177231 O\n0.226721 0.429775 0.504958 O\n0.773279 0.570225 0.495042 O\n0.273279 0.429775 0.004958 O\n0.351959 0.676527 0.366880 O\n0.851959 0.323473 0.133120 O\n0.648041 0.323473 0.633120 O\n0.148041 0.676527 0.866880 O\n0.490669 0.380694 0.448306 O\n0.990669 0.619306 0.051694 O\n0.509331 0.619306 0.551694 O\n0.009331 0.380694 0.948306 O\n0.347857 0.737934 0.046620 O\n0.847857 0.262066 0.453380 O\n0.652143 0.262066 0.953380 O\n0.152143 0.737934 0.546620 O\n0.994704 0.100619 0.387770 O\n0.494704 0.899381 0.112230 O\n0.005296 0.899381 0.612230 O\n0.505296 0.100619 0.887770 O\n0.267119 0.022355 0.531911 O\n0.767119 0.977645 0.968089 O\n0.732881 0.977645 0.468089 O\n0.232881 0.022355 0.031911 O\n0.269015 0.743282 0.677231 O\n0.769015 0.256718 0.822769 O\n0.730985 0.256718 0.322769 O\n0.726721 0.570225 0.995042 O\n",
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"formula_full": "Na12 Zn12 P12 O48",
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}
]
}