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{
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{
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"structure_string": "Cs2 Sr2 Si2 H2 O8\n1.0\n8.009372 0.000000 0.000000\n0.000000 5.999998 0.000000\n0.000000 3.023817 5.252863\nCs Sr Si H O\n2 2 2 2 8\ndirect\n0.228915 0.624532 0.650568 Cs\n0.728915 0.375468 0.349432 Cs\n0.483524 0.003614 0.986118 Sr\n0.983524 0.996386 0.013882 Sr\n0.246501 0.297354 0.322159 Si\n0.746501 0.702646 0.677841 Si\n0.006460 0.048713 0.492042 H\n0.506460 0.951287 0.507958 H\n0.241049 0.612827 0.156906 O\n0.741049 0.387173 0.843094 O\n0.241411 0.163638 0.140880 O\n0.741411 0.836362 0.859120 O\n0.398461 0.176591 0.533552 O\n0.898461 0.823409 0.466448 O\n0.070679 0.182145 0.515305 O\n0.570679 0.817855 0.484695 O\n",
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{
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"structure_string": "Fe7 Mo6\n1.0\n8.618047 -2.380015 0.000000\n8.618047 2.380015 0.000000\n7.960767 0.000000 4.069569\nFe Mo\n7 6\ndirect\n0.589134 0.091519 0.091519 Fe\n0.091519 0.091519 0.589134 Fe\n0.908481 0.908481 0.410866 Fe\n0.908481 0.410866 0.908481 Fe\n0.000000 0.000000 0.000000 Fe\n0.091519 0.589134 0.091519 Fe\n0.410866 0.908481 0.908481 Fe\n0.346558 0.346558 0.346558 Mo\n0.165891 0.165891 0.165891 Mo\n0.549307 0.549307 0.549307 Mo\n0.653442 0.653442 0.653442 Mo\n0.450693 0.450693 0.450693 Mo\n0.834109 0.834109 0.834109 Mo\n",
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{
"id": "mp-728720",
"created_at": "2022-09-04T14:40:02.005107Z",
"structure_string": "Sr2 V4 P4 H16 O28\n1.0\n4.553622 4.550831 0.000000\n-4.553622 4.550831 0.000000\n0.000000 2.411435 12.907132\nSr V P H O\n2 4 4 16 28\ndirect\n0.455424 0.067911 0.779155 Sr\n0.067911 0.455424 0.279155 Sr\n0.247349 0.026473 0.481235 V\n0.026473 0.247349 0.981235 V\n0.737262 0.497617 0.565398 V\n0.497617 0.737262 0.065398 V\n0.733662 0.011296 0.525142 P\n0.011296 0.733662 0.025142 P\n0.240765 0.511925 0.523264 P\n0.511925 0.240765 0.023264 P\n0.361469 0.069850 0.232165 H\n0.069850 0.361469 0.732165 H\n0.137034 0.990236 0.282137 H\n0.990236 0.137034 0.782137 H\n0.713026 0.402629 0.832256 H\n0.402629 0.713026 0.332256 H\n0.709751 0.619998 0.763674 H\n0.619998 0.709751 0.263674 H\n0.927829 0.837415 0.830280 H\n0.837415 0.927829 0.330280 H\n0.926057 0.885836 0.708497 H\n0.885836 0.926057 0.208497 H\n0.309559 0.688867 0.694309 H\n0.688867 0.309559 0.194309 H\n0.373040 0.599837 0.800575 H\n0.599837 0.373040 0.300575 H\n0.215126 0.999721 0.608823 O\n0.999721 0.215126 0.108823 O\n0.559472 0.019644 0.454460 O\n0.019644 0.559472 0.954460 O\n0.943654 0.049369 0.452488 O\n0.049369 0.943654 0.952488 O\n0.257101 0.344583 0.447195 O\n0.344583 0.257101 0.947195 O\n0.246236 0.723618 0.449713 O\n0.723618 0.246236 0.949713 O\n0.792720 0.516811 0.439041 O\n0.516811 0.792720 0.939041 O\n0.732082 0.796622 0.594965 O\n0.796622 0.732082 0.094965 O\n0.036246 0.485474 0.601247 O\n0.485474 0.036246 0.101247 O\n0.420515 0.498594 0.591195 O\n0.498594 0.420515 0.091195 O\n0.702544 0.178348 0.602611 O\n0.178348 0.702544 0.102611 O\n0.252355 0.086311 0.291468 O\n0.086311 0.252355 0.791468 O\n0.671363 0.471401 0.765198 O\n0.471401 0.671363 0.265198 O\n0.847031 0.902630 0.776173 O\n0.902630 0.847031 0.276173 O\n0.298882 0.716449 0.766403 O\n0.716449 0.298882 0.266403 O\n",
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"elements": [
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"formula_full": "Sr2 V4 P4 H16 O28",
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"spacegroup": 9
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{
"id": "mp-1203609",
"created_at": "2022-09-04T14:40:02.011267Z",
"structure_string": "Fe4 S16 N16 Cl16\n1.0\n8.387317 0.000000 0.000000\n0.000000 10.656608 0.000000\n-4.302464 0.000000 15.014103\nFe S N Cl\n4 16 16 16\ndirect\n0.232986 0.358409 0.743588 Fe\n0.767014 0.858409 0.756412 Fe\n0.767014 0.641591 0.256412 Fe\n0.232986 0.141591 0.243588 Fe\n0.635027 0.253648 0.605887 S\n0.364973 0.753648 0.894113 S\n0.364973 0.746352 0.394113 S\n0.635027 0.246352 0.105887 S\n0.854371 0.262788 0.391090 S\n0.145629 0.762788 0.108910 S\n0.145629 0.737212 0.608910 S\n0.854371 0.237212 0.891090 S\n0.745548 0.058516 0.494686 S\n0.254452 0.558516 0.005314 S\n0.254452 0.941484 0.505314 S\n0.745548 0.441484 0.994686 S\n0.743388 0.455731 0.500475 S\n0.256612 0.955731 0.999525 S\n0.256612 0.544269 0.499525 S\n0.743388 0.044269 0.000475 S\n0.865149 0.376694 0.458747 N\n0.134851 0.876694 0.041253 N\n0.134851 0.623306 0.541253 N\n0.865149 0.123306 0.958747 N\n0.651915 0.382758 0.560748 N\n0.348085 0.882758 0.939252 N\n0.348085 0.617242 0.439252 N\n0.651915 0.117242 0.060748 N\n0.797969 0.132631 0.420120 N\n0.202031 0.632631 0.079880 N\n0.202031 0.867369 0.579880 N\n0.797969 0.367369 0.920120 N\n0.725701 0.134212 0.579477 N\n0.274299 0.634212 0.920523 N\n0.274299 0.865788 0.420523 N\n0.725701 0.365788 0.079477 N\n0.315712 0.259244 0.873319 Cl\n0.684288 0.759244 0.626681 Cl\n0.684288 0.740756 0.126681 Cl\n0.315712 0.240756 0.373319 Cl\n0.198793 0.230672 0.628176 Cl\n0.801207 0.730672 0.871824 Cl\n0.801207 0.769328 0.371824 Cl\n0.198793 0.269328 0.128176 Cl\n0.997602 0.454407 0.738057 Cl\n0.002398 0.954407 0.761943 Cl\n0.002398 0.545593 0.261943 Cl\n0.997602 0.045593 0.238057 Cl\n0.421707 0.499944 0.734545 Cl\n0.578293 0.999944 0.765455 Cl\n0.578293 0.500056 0.265455 Cl\n0.421707 0.000056 0.234545 Cl\n",
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"elements": [
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{
"id": "mp-704942",
"created_at": "2022-09-04T14:40:01.374253Z",
"structure_string": "Li4 Cr2 P10 O30\n1.0\n9.590634 0.000000 0.000000\n0.000000 5.269295 0.000000\n0.000000 4.204690 12.424879\nLi Cr P O\n4 2 10 30\ndirect\n0.605583 0.935504 0.936898 Li\n0.398672 0.054805 0.068295 Li\n0.394417 0.935504 0.436898 Li\n0.601328 0.054805 0.568295 Li\n0.997358 0.009650 0.996272 Cr\n0.002642 0.009650 0.496272 Cr\n0.520135 0.473925 0.141525 P\n0.181583 0.422081 0.581920 P\n0.822790 0.594641 0.412156 P\n0.522151 0.516887 0.361769 P\n0.983320 0.013460 0.246359 P\n0.479865 0.473925 0.641525 P\n0.177210 0.594641 0.912156 P\n0.477849 0.516887 0.861769 P\n0.016680 0.013460 0.746359 P\n0.818417 0.422081 0.081920 P\n0.500701 0.754246 0.067717 O\n0.145860 0.299924 0.937811 O\n0.157330 0.720676 0.552118 O\n0.116515 0.272758 0.700037 O\n0.661043 0.645504 0.398554 O\n0.407975 0.715022 0.347408 O\n0.940799 0.972712 0.652043 O\n0.592025 0.715022 0.847408 O\n0.338957 0.645504 0.898554 O\n0.582303 0.493685 0.251598 O\n0.495734 0.236832 0.936162 O\n0.417697 0.493685 0.751598 O\n0.937389 0.050935 0.839822 O\n0.842670 0.720676 0.052118 O\n0.883485 0.272758 0.200037 O\n0.059201 0.972712 0.152043 O\n0.407022 0.273887 0.157017 O\n0.504266 0.236832 0.436162 O\n0.870054 0.728061 0.492203 O\n0.592978 0.273887 0.657017 O\n0.879214 0.760619 0.292803 O\n0.129946 0.728061 0.992203 O\n0.341172 0.351297 0.601899 O\n0.658828 0.351297 0.101899 O\n0.499299 0.754246 0.567717 O\n0.854140 0.299924 0.437811 O\n0.120786 0.760619 0.792803 O\n0.135565 0.287490 0.502013 O\n0.062611 0.050935 0.339822 O\n0.864435 0.287490 0.002013 O\n",
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"formula_full": "Li4 Cr2 P10 O30",
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{
"id": "mp-1042391",
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"structure_string": "Mg8 Ti8 Bi8 O40\n1.0\n5.267421 0.000000 0.000000\n0.000000 10.457572 0.000000\n0.000000 0.000000 15.228181\nMg Ti Bi O\n8 8 8 40\ndirect\n0.492297 0.367624 0.547973 Mg\n0.992297 0.132376 0.547973 Mg\n0.992297 0.632376 0.952027 Mg\n0.007703 0.367624 0.047973 Mg\n0.507703 0.132376 0.047973 Mg\n0.007703 0.867624 0.452027 Mg\n0.507703 0.632376 0.452027 Mg\n0.492297 0.867624 0.952027 Mg\n0.997140 0.382976 0.419617 Ti\n0.502860 0.882976 0.580383 Ti\n0.002860 0.617024 0.580383 Ti\n0.497140 0.117024 0.419617 Ti\n0.002860 0.117024 0.919617 Ti\n0.997140 0.882976 0.080383 Ti\n0.502860 0.382976 0.919617 Ti\n0.497140 0.617024 0.080383 Ti\n0.011591 0.857257 0.761587 Bi\n0.988409 0.142743 0.238413 Bi\n0.488409 0.357257 0.238413 Bi\n0.988409 0.642743 0.261587 Bi\n0.511591 0.142743 0.738413 Bi\n0.511591 0.642743 0.761587 Bi\n0.488409 0.857257 0.261587 Bi\n0.011591 0.357257 0.738413 Bi\n0.829970 0.304327 0.319936 O\n0.254818 0.023511 0.969345 O\n0.245182 0.523511 0.030655 O\n0.346237 0.799102 0.836169 O\n0.153763 0.299102 0.163831 O\n0.829970 0.804327 0.180064 O\n0.153763 0.799102 0.336169 O\n0.670030 0.804327 0.680064 O\n0.254818 0.523511 0.530655 O\n0.170030 0.695673 0.680064 O\n0.670030 0.304327 0.819936 O\n0.687436 0.221652 0.486080 O\n0.754818 0.976489 0.530655 O\n0.653763 0.700898 0.336169 O\n0.209309 0.992649 0.154167 O\n0.754818 0.476489 0.969345 O\n0.170030 0.195673 0.819936 O\n0.846237 0.200898 0.663831 O\n0.187436 0.778348 0.013920 O\n0.245182 0.023511 0.469345 O\n0.312564 0.778348 0.513920 O\n0.790691 0.007351 0.845833 O\n0.653763 0.200898 0.163831 O\n0.709309 0.007351 0.345833 O\n0.312564 0.278348 0.986080 O\n0.187436 0.278348 0.486080 O\n0.745182 0.476489 0.469345 O\n0.745182 0.976489 0.030655 O\n0.709309 0.507351 0.154167 O\n0.812564 0.721652 0.513920 O\n0.812564 0.221652 0.986080 O\n0.687436 0.721652 0.013920 O\n0.790691 0.507351 0.654167 O\n0.846237 0.700898 0.836169 O\n0.346237 0.299102 0.663831 O\n0.209309 0.492649 0.345833 O\n0.290691 0.492649 0.845833 O\n0.329970 0.195673 0.319936 O\n0.290691 0.992649 0.654167 O\n0.329970 0.695673 0.180064 O\n",
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{
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"structure_string": "Ca2 Cd6\n1.0\n3.379054 -5.852692 0.000000\n3.379054 5.852692 0.000000\n0.000000 0.000000 5.093488\nCa Cd\n2 6\ndirect\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n0.159910 0.319820 0.250000 Cd\n0.680180 0.840090 0.250000 Cd\n0.159910 0.840090 0.250000 Cd\n0.840090 0.680180 0.750000 Cd\n0.319820 0.159910 0.750000 Cd\n0.840090 0.159910 0.750000 Cd\n",
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