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{
"id": "jvasp-49692",
"created_at": "2022-09-04T14:37:19.292472Z",
"updated_at": "2022-09-04T14:37:19.292486Z",
"structure_string": "Al4 Mo4 O12\n1.0\n5.157275 -0.000000 0.000000\n-0.000000 5.165350 0.000000\n0.000000 0.000000 8.023922\nAl Mo O\n4 4 12\ndirect\n-0.000311 0.970317 0.250000 Al\n0.500312 0.470316 0.750000 Al\n0.499689 0.529684 0.250000 Al\n0.000311 0.029684 0.750000 Al\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.846752 0.639991 0.250000 O\n0.653249 0.139991 0.750000 O\n0.651666 0.649966 0.913518 O\n0.848335 0.149966 0.086482 O\n0.151666 0.850034 0.586482 O\n0.848335 0.149966 0.413518 O\n0.348335 0.350034 0.086482 O\n0.151666 0.850034 0.913518 O\n0.153248 0.360009 0.750000 O\n0.651666 0.649966 0.586482 O\n0.348335 0.350034 0.413518 O\n0.346752 0.860009 0.250000 O\n",
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{
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"structure_string": "Tb2 Cd2 F12\n1.0\n5.214284 0.000000 0.000000\n-0.000000 5.214284 0.000000\n0.000000 0.000000 7.861876\nTb Cd F\n2 2 12\ndirect\n0.500000 0.500000 0.750000 Tb\n0.500000 0.500000 0.250000 Tb\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.629717 0.282451 0.500000 F\n0.717548 0.629717 0.000000 F\n0.282451 0.370282 0.000000 F\n0.370282 0.717548 0.500000 F\n0.149618 0.281942 0.324937 F\n0.718057 0.149618 0.824937 F\n0.281942 0.850382 0.824937 F\n0.850382 0.718057 0.324937 F\n0.850382 0.718057 0.675064 F\n0.281942 0.850382 0.175064 F\n0.718057 0.149618 0.175064 F\n0.149618 0.281942 0.675064 F\n",
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{
"id": "jvasp-20909",
"created_at": "2022-09-04T14:38:34.239698Z",
"updated_at": "2022-09-04T14:38:34.239740Z",
"structure_string": "Ni4 Sb4 S4\n1.0\n5.979473 -0.000000 -0.000000\n-0.000000 5.979473 -0.000000\n-0.000000 -0.000000 5.979473\nNi Sb S\n4 4 4\ndirect\n0.518070 0.481930 0.981929 Ni\n0.481930 0.981929 0.518070 Ni\n0.018070 0.018070 0.018070 Ni\n0.981929 0.518070 0.481930 Ni\n0.628556 0.871443 0.128556 Sb\n0.128556 0.628556 0.871443 Sb\n0.371443 0.371443 0.371443 Sb\n0.871443 0.128556 0.628556 Sb\n0.380524 0.119476 0.880524 S\n0.880524 0.380524 0.119476 S\n0.119476 0.880524 0.380524 S\n0.619476 0.619476 0.619476 S\n",
"nsites": 12,
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"density": 6.602629056257348,
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"volume": 213.79065978991184,
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"formula_full": "Ni4 Sb4 S4",
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{
"id": "jvasp-66154",
"created_at": "2022-09-04T14:36:09.506550Z",
"updated_at": "2022-09-04T14:36:09.506572Z",
"structure_string": "Ba4 Zn1 Os1\n1.0\n-0.000000 4.745922 4.745922\n4.745922 -0.000000 4.745922\n4.745922 4.745922 0.000000\nBa Zn Os\n4 1 1\ndirect\n0.127664 0.624112 0.624112 Ba\n0.624112 0.624112 0.624112 Ba\n0.624112 0.127664 0.624112 Ba\n0.624112 0.624112 0.127664 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Os\n",
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],
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},
{
"id": "jvasp-102652",
"created_at": "2022-09-04T14:36:44.083999Z",
"updated_at": "2022-09-04T14:36:44.084015Z",
"structure_string": "Zn1 In2 Cu2 S5\n1.0\n10.028769 -0.001727 2.756318\n9.256055 3.860267 2.756318\n0.002125 0.000425 5.521283\nZn In Cu S\n1 2 2 5\ndirect\n0.594793 0.594794 0.407953 Zn\n0.198465 0.198467 0.811103 In\n0.404254 0.404256 0.595487 In\n0.001053 0.001055 0.991214 Cu\n0.801281 0.801282 0.194544 Cu\n0.504682 0.504684 0.768076 S\n0.093227 0.093228 0.168078 S\n0.700698 0.700700 0.522273 S\n0.300900 0.300903 0.973894 S\n0.900639 0.900640 0.317382 S\n",
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"density_atomic": 0.04676958486974612,
"volume": 213.81417063782212,
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"formula_full": "Zn1 In2 Cu2 S5",
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"formula_anonymous": "AB2C2D5",
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"spacegroup": 8
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{
"id": "jvasp-93192",
"created_at": "2022-09-04T14:35:44.815165Z",
"updated_at": "2022-09-04T14:35:44.815195Z",
"structure_string": "K1 Li1 Mg6\n1.0\n7.157030 0.450020 0.000000\n-3.188786 5.523139 0.000000\n0.000000 0.000000 5.219719\nK Li Mg\n1 1 6\ndirect\n0.116651 0.308326 0.250000 K\n0.213630 0.856814 0.250000 Li\n0.639859 0.327901 0.250000 Mg\n0.639859 0.811957 0.250000 Mg\n0.362999 0.177300 0.750000 Mg\n0.362999 0.685699 0.750000 Mg\n0.779437 0.139719 0.750000 Mg\n0.884567 0.692283 0.750000 Mg\n",
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"volume": 213.8220775776788,
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"formula_full": "K1 Li1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-30126",
"created_at": "2022-09-04T14:37:59.248087Z",
"updated_at": "2022-09-04T14:37:59.248115Z",
"structure_string": "Mo4 O12\n1.0\n0.000000 5.378324 1.334016\n0.000000 3.639822 8.339813\n5.345825 0.000000 0.000000\nMo O\n4 12\ndirect\n0.732041 0.997886 0.993137 Mo\n0.232042 0.997886 0.506864 Mo\n0.889582 0.497894 0.493122 Mo\n0.389583 0.497894 0.006879 Mo\n0.082129 0.460961 0.213575 O\n0.582129 0.460961 0.286425 O\n0.448930 0.047584 0.201179 O\n0.948929 0.047584 0.298822 O\n0.539461 0.753948 0.420519 O\n0.039461 0.753947 0.079482 O\n0.573432 0.547598 0.798986 O\n0.073433 0.547597 0.701015 O\n0.070007 0.253961 0.579523 O\n0.570007 0.253962 0.920478 O\n0.613212 0.960969 0.713664 O\n0.113212 0.960969 0.786337 O\n",
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"volume": 213.82570630744297,
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"formula_full": "Mo4 O12",
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"spacegroup": 33
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{
"id": "jvasp-56183",
"created_at": "2022-09-04T14:37:06.574331Z",
"updated_at": "2022-09-04T14:37:06.574355Z",
"structure_string": "Nd4 Mn8\n1.0\n2.753914 -4.769918 0.000000\n2.753914 4.769918 -0.000000\n-0.000000 0.000000 8.139763\nNd Mn\n4 8\ndirect\n0.333332 0.666666 0.943291 Nd\n0.666666 0.333332 0.056709 Nd\n0.333332 0.666666 0.556709 Nd\n0.666666 0.333332 0.443291 Nd\n0.158870 0.317740 0.250000 Mn\n0.158869 0.841129 0.250000 Mn\n0.682258 0.841129 0.250000 Mn\n0.317740 0.158870 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.841129 0.158869 0.750000 Mn\n0.841129 0.682258 0.750000 Mn\n0.000000 0.000000 0.500000 Mn\n",
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"formula_full": "Nd4 Mn8",
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{
"id": "jvasp-85507",
"created_at": "2022-09-04T14:36:16.074506Z",
"updated_at": "2022-09-04T14:36:16.074531Z",
"structure_string": "Si4 H4 O10\n1.0\n-2.774550 8.452673 3.775737\n2.774550 -7.598499 1.165384\n2.774550 7.598499 -1.165384\nSi H O\n4 4 10\ndirect\n0.415944 -0.092756 0.687486 Si\n0.439113 0.947551 0.306198 Si\n0.939113 0.132915 -0.008439 Si\n-0.084058 0.728457 0.008701 Si\n0.627263 0.742345 0.465957 H\n0.382601 0.307404 0.567239 H\n0.882601 0.815362 0.575196 H\n0.127263 0.161307 0.384920 H\n0.525512 0.320384 0.462652 O\n0.453319 0.657129 0.542546 O\n0.608799 0.318310 0.934851 O\n0.634223 0.930992 0.057551 O\n0.469955 0.957044 0.487489 O\n0.108798 0.673948 0.790489 O\n0.969955 0.982466 0.012911 O\n0.025512 0.062858 0.705128 O\n0.134223 0.576672 0.203231 O\n-0.046680 -0.089226 0.296190 O\n",
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"formula_full": "Si4 H4 O10",
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{
"id": "jvasp-66492",
"created_at": "2022-09-04T14:35:51.119348Z",
"updated_at": "2022-09-04T14:35:51.119374Z",
"structure_string": "Ba4 Hg1 Os1\n1.0\n0.000000 4.746516 4.746516\n4.746516 -0.000000 4.746516\n4.746516 4.746516 -0.000000\nBa Hg Os\n4 1 1\ndirect\n0.122454 0.625849 0.625849 Ba\n0.625849 0.625849 0.625849 Ba\n0.625849 0.122454 0.625849 Ba\n0.625849 0.625849 0.122454 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Os\n",
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{
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"created_at": "2022-09-04T14:38:07.506763Z",
"updated_at": "2022-09-04T14:38:07.506792Z",
"structure_string": "Mg2 Mo2 H4 O10\n1.0\n5.667948 0.009181 -0.026057\n-1.640674 5.612098 -0.005940\n-0.595630 -1.504828 6.727520\nMg Mo H O\n2 2 4 10\ndirect\n0.640799 0.708007 0.194465 Mg\n0.359202 0.291992 0.805535 Mg\n0.745062 0.879049 0.748405 Mo\n0.254939 0.120951 0.251595 Mo\n0.079249 0.597806 0.192478 H\n0.920752 0.402194 0.807521 H\n0.873208 0.351774 0.202004 H\n0.126793 0.648226 0.797996 H\n0.077603 0.967405 0.790143 O\n0.922398 0.032594 0.209857 O\n0.637999 0.767656 0.494474 O\n0.362002 0.232343 0.505526 O\n0.379097 0.359951 0.122809 O\n0.354226 0.862266 0.169724 O\n0.620904 0.640049 0.877190 O\n0.090178 0.469749 0.777870 O\n0.645775 0.137734 0.830276 O\n0.909823 0.530250 0.222130 O\n",
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{
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"created_at": "2022-09-04T14:37:47.360280Z",
"updated_at": "2022-09-04T14:37:47.360293Z",
"structure_string": "Co4 Cu2 S8\n1.0\n5.813697 0.000000 3.356540\n1.937899 5.481206 3.356540\n0.000000 0.000000 6.713079\nCo Cu S\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.500000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.875000 0.875001 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.737470 0.737470 0.737469 S\n0.262531 0.262531 0.712408 S\n0.262531 0.712408 0.262531 S\n0.712408 0.262531 0.262531 S\n0.737470 0.287592 0.737469 S\n0.287592 0.737470 0.737469 S\n0.262531 0.262531 0.262531 S\n0.737470 0.737470 0.287592 S\n",
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]
}