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"results": [
{
"id": "mp-1199830",
"created_at": "2022-09-04T14:47:58.286458Z",
"structure_string": "K16 Cd16 B48 H192\n1.0\n-9.067356 -9.067356 9.067356\n-9.067356 9.067356 -9.067356\n9.067356 -9.067356 -9.067356\nK Cd B H\n16 16 48 192\ndirect\n0.128972 0.750000 0.378972 K\n0.371028 0.250000 0.121028 K\n0.750000 0.378972 0.128972 K\n0.250000 0.121028 0.371028 K\n0.378972 0.128972 0.750000 K\n0.121028 0.371028 0.250000 K\n0.871028 0.250000 0.621028 K\n0.628972 0.750000 0.878972 K\n0.250000 0.621028 0.871028 K\n0.750000 0.878972 0.628972 K\n0.621028 0.871028 0.250000 K\n0.878972 0.628972 0.750000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.877105 0.750000 0.127105 Cd\n0.622895 0.250000 0.372895 Cd\n0.750000 0.127105 0.877105 Cd\n0.250000 0.372895 0.622895 Cd\n0.127105 0.877105 0.750000 Cd\n0.372895 0.622895 0.250000 Cd\n0.122895 0.250000 0.872895 Cd\n0.377105 0.750000 0.627105 Cd\n0.250000 0.872895 0.122895 Cd\n0.750000 0.627105 0.377105 Cd\n0.872895 0.122895 0.250000 Cd\n0.627105 0.377105 0.750000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.611796 0.117675 0.934818 B\n0.317143 0.382325 0.494121 B\n0.888204 0.323022 0.005879 B\n0.182857 0.176978 0.565182 B\n0.117675 0.934818 0.611796 B\n0.382325 0.494121 0.317143 B\n0.323022 0.005879 0.888204 B\n0.176978 0.565182 0.182857 B\n0.934818 0.611796 0.117675 B\n0.494121 0.317143 0.382325 B\n0.005879 0.888204 0.323022 B\n0.565182 0.182857 0.176978 B\n0.388204 0.882325 0.065182 B\n0.682857 0.617675 0.505879 B\n0.111796 0.676978 0.994121 B\n0.817143 0.823022 0.434818 B\n0.882325 0.065182 0.388204 B\n0.617675 0.505879 0.682857 B\n0.676978 0.994121 0.111796 B\n0.823022 0.434818 0.817143 B\n0.065182 0.388204 0.882325 B\n0.505879 0.682857 0.617675 B\n0.994121 0.111796 0.676978 B\n0.434818 0.817143 0.823022 B\n0.266045 0.893774 0.294023 B\n0.900250 0.606226 0.372271 B\n0.233955 0.027979 0.127729 B\n0.599750 0.472021 0.205977 B\n0.893774 0.294023 0.266045 B\n0.606226 0.372271 0.900250 B\n0.027979 0.127729 0.233955 B\n0.472021 0.205977 0.599750 B\n0.294023 0.266045 0.893774 B\n0.372271 0.900250 0.606226 B\n0.127729 0.233955 0.027979 B\n0.205977 0.599750 0.472021 B\n0.733955 0.106226 0.705977 B\n0.099750 0.393774 0.627729 B\n0.766045 0.972021 0.872271 B\n0.400250 0.527979 0.794023 B\n0.106226 0.705977 0.733955 B\n0.393774 0.627729 0.099750 B\n0.972021 0.872271 0.766045 B\n0.527979 0.794023 0.400250 B\n0.705977 0.733955 0.106226 B\n0.627729 0.099750 0.393774 B\n0.872271 0.766045 0.972021 B\n0.794023 0.400250 0.527979 B\n0.549036 0.145375 0.938563 H\n0.293188 0.354625 0.403661 H\n0.950964 0.389526 0.096339 H\n0.206812 0.110474 0.561437 H\n0.145375 0.938563 0.549036 H\n0.354625 0.403661 0.293188 H\n0.389526 0.096339 0.950964 H\n0.110474 0.561437 0.206812 H\n0.938563 0.549036 0.145375 H\n0.403661 0.293188 0.354625 H\n0.096339 0.950964 0.389526 H\n0.561437 0.206812 0.110474 H\n0.450964 0.854625 0.061437 H\n0.706812 0.645375 0.596339 H\n0.049036 0.610474 0.903661 H\n0.793188 0.889526 0.438563 H\n0.854625 0.061437 0.450964 H\n0.645375 0.596339 0.706812 H\n0.610474 0.903661 0.049036 H\n0.889526 0.438563 0.793188 H\n0.061437 0.450964 0.854625 H\n0.596339 0.706812 0.645375 H\n0.903661 0.049036 0.610474 H\n0.438563 0.793188 0.889526 H\n0.696054 0.176351 0.014501 H\n0.338150 0.323649 0.519703 H\n0.803946 0.318447 0.980297 H\n0.161850 0.181553 0.485499 H\n0.176351 0.014501 0.696054 H\n0.323649 0.519703 0.338150 H\n0.318447 0.980297 0.803946 H\n0.181553 0.485499 0.161850 H\n0.014501 0.696054 0.176351 H\n0.519703 0.338150 0.323649 H\n0.980297 0.803946 0.318447 H\n0.485499 0.161850 0.181553 H\n0.303946 0.823649 0.985499 H\n0.661850 0.676351 0.480297 H\n0.196054 0.681553 0.019703 H\n0.838150 0.818447 0.514501 H\n0.823649 0.985499 0.303946 H\n0.676351 0.480297 0.661850 H\n0.681553 0.019703 0.196054 H\n0.818447 0.514501 0.838150 H\n0.985499 0.303946 0.823649 H\n0.480297 0.661850 0.676351 H\n0.019703 0.196054 0.681553 H\n0.514501 0.838150 0.818447 H\n0.609852 0.114922 0.853331 H\n0.238409 0.385078 0.494930 H\n0.890148 0.243479 0.005070 H\n0.261591 0.256521 0.646669 H\n0.114922 0.853331 0.609852 H\n0.385078 0.494930 0.238409 H\n0.243479 0.005070 0.890148 H\n0.256521 0.646669 0.261591 H\n0.853331 0.609852 0.114922 H\n0.494930 0.238409 0.385078 H\n0.005070 0.890148 0.243479 H\n0.646669 0.261591 0.256521 H\n0.390148 0.885078 0.146669 H\n0.761591 0.614922 0.505070 H\n0.109852 0.756521 0.994930 H\n0.738409 0.743479 0.353331 H\n0.885078 0.146669 0.390148 H\n0.614922 0.505070 0.761591 H\n0.756521 0.994930 0.109852 H\n0.743479 0.353331 0.738409 H\n0.146669 0.390148 0.885078 H\n0.505070 0.761591 0.614922 H\n0.994930 0.109852 0.756521 H\n0.353331 0.738409 0.743479 H\n0.584932 0.028306 0.918204 H\n0.389897 0.471694 0.556626 H\n0.915068 0.333272 0.943374 H\n0.110103 0.166728 0.581796 H\n0.028306 0.918204 0.584932 H\n0.471694 0.556626 0.389897 H\n0.333272 0.943374 0.915068 H\n0.166728 0.581796 0.110103 H\n0.918204 0.584932 0.028306 H\n0.556626 0.389897 0.471694 H\n0.943374 0.915068 0.333272 H\n0.581796 0.110103 0.166728 H\n0.415068 0.971694 0.081796 H\n0.610103 0.528306 0.443374 H\n0.084932 0.666728 0.056626 H\n0.889897 0.833272 0.418204 H\n0.971694 0.081796 0.415068 H\n0.528306 0.443374 0.610103 H\n0.666728 0.056626 0.084932 H\n0.833272 0.418204 0.889897 H\n0.081796 0.415068 0.971694 H\n0.443374 0.610103 0.528306 H\n0.056626 0.084932 0.666728 H\n0.418204 0.889897 0.833272 H\n0.337175 0.968734 0.304439 H\n0.835704 0.531266 0.368440 H\n0.162825 0.967264 0.131560 H\n0.664296 0.532736 0.195561 H\n0.968734 0.304439 0.337175 H\n0.531266 0.368440 0.835704 H\n0.967264 0.131560 0.162825 H\n0.532736 0.195561 0.664296 H\n0.304439 0.337175 0.968734 H\n0.368440 0.835704 0.531266 H\n0.131560 0.162825 0.967264 H\n0.195561 0.664296 0.532736 H\n0.662825 0.031266 0.695561 H\n0.164296 0.468734 0.631560 H\n0.837175 0.032736 0.868440 H\n0.335704 0.467264 0.804439 H\n0.031266 0.695561 0.662825 H\n0.468734 0.631560 0.164296 H\n0.032736 0.868440 0.837175 H\n0.467264 0.804439 0.335704 H\n0.695561 0.662825 0.031266 H\n0.631560 0.164296 0.468734 H\n0.868440 0.837175 0.032736 H\n0.804439 0.335704 0.467264 H\n0.242267 0.808400 0.224641 H\n0.916241 0.691600 0.433868 H\n0.257733 0.982373 0.066132 H\n0.583759 0.517627 0.275359 H\n0.808400 0.224641 0.242267 H\n0.691600 0.433868 0.916241 H\n0.982373 0.066132 0.257733 H\n0.517627 0.275359 0.583759 H\n0.224641 0.242267 0.808400 H\n0.433868 0.916241 0.691600 H\n0.066132 0.257733 0.982373 H\n0.275359 0.583759 0.517627 H\n0.757733 0.191600 0.775359 H\n0.083759 0.308400 0.566132 H\n0.742267 0.017627 0.933868 H\n0.416241 0.482373 0.724641 H\n0.191600 0.775359 0.757733 H\n0.308400 0.566132 0.083759 H\n0.017627 0.933868 0.742267 H\n0.482373 0.724641 0.416241 H\n0.775359 0.757733 0.191600 H\n0.566132 0.083759 0.308400 H\n0.933868 0.742267 0.017627 H\n0.724641 0.416241 0.482373 H\n0.189426 0.902997 0.279089 H\n0.876093 0.597003 0.286429 H\n0.310574 0.089664 0.213571 H\n0.623907 0.410336 0.220911 H\n0.902997 0.279089 0.189426 H\n0.597003 0.286429 0.876093 H\n0.089664 0.213571 0.310574 H\n0.410336 0.220911 0.623907 H\n0.279089 0.189426 0.902997 H\n0.286429 0.876093 0.597003 H\n0.213571 0.310574 0.089664 H\n0.220911 0.623907 0.410336 H\n0.810574 0.097003 0.720911 H\n0.123907 0.402997 0.713571 H\n0.689426 0.910336 0.786429 H\n0.376093 0.589664 0.779089 H\n0.097003 0.720911 0.810574 H\n0.402997 0.713571 0.123907 H\n0.910336 0.786429 0.689426 H\n0.589664 0.779089 0.376093 H\n0.720911 0.810574 0.097003 H\n0.713571 0.123907 0.402997 H\n0.786429 0.689426 0.910336 H\n0.779089 0.376093 0.589664 H\n0.300440 0.889139 0.373312 H\n0.984174 0.610861 0.411301 H\n0.199560 0.072873 0.088699 H\n0.515826 0.427127 0.126688 H\n0.889139 0.373312 0.300440 H\n0.610861 0.411301 0.984174 H\n0.072873 0.088699 0.199560 H\n0.427127 0.126688 0.515826 H\n0.373312 0.300440 0.889139 H\n0.411301 0.984174 0.610861 H\n0.088699 0.199560 0.072873 H\n0.126688 0.515826 0.427127 H\n0.699560 0.110861 0.626688 H\n0.015826 0.389139 0.588699 H\n0.800440 0.927127 0.911301 H\n0.484174 0.572873 0.873312 H\n0.110861 0.626688 0.699560 H\n0.389139 0.588699 0.015826 H\n0.927127 0.911301 0.800440 H\n0.572873 0.873312 0.484174 H\n0.626688 0.699560 0.110861 H\n0.588699 0.015826 0.389139 H\n0.911301 0.800440 0.927127 H\n0.873312 0.484174 0.572873 H\n",
"nsites": 272,
"nelements": 4,
"elements": [
"K",
"Cd",
"B",
"H"
],
"chemical_system": "B-Cd-H-K",
"density": 1.7466521381318991,
"density_atomic": 0.0912151362252811,
"volume": 2981.961232050572,
"volume_molar": 6.602128779511607,
"formula_full": "K16 Cd16 B48 H192",
"formula_reduced": "KCd(BH4)3",
"formula_anonymous": "ABC3D12",
"energy": -1073.06811168,
"energy_per_atom": -3.9451033517647054,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1038.70011168,
"band_gap": 3.8412,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.612000Z",
"spacegroup": 206
},
{
"id": "mp-1199706",
"created_at": "2022-09-04T14:46:52.366191Z",
"structure_string": "Na16 Si16 H72 O76\n1.0\n9.649586 0.000000 -2.492869\n0.000000 12.518145 0.000000\n0.036140 0.000000 14.982949\nNa Si H O\n16 16 72 76\ndirect\n0.042389 0.876014 0.565848 Na\n0.957611 0.376014 0.934152 Na\n0.957611 0.123986 0.434152 Na\n0.042389 0.623986 0.065848 Na\n0.764153 0.640695 0.557178 Na\n0.235847 0.140695 0.942822 Na\n0.235847 0.359305 0.442822 Na\n0.764153 0.859305 0.057178 Na\n0.308002 0.605634 0.572016 Na\n0.691998 0.105634 0.927984 Na\n0.691998 0.394366 0.427984 Na\n0.308002 0.894366 0.072016 Na\n0.480401 0.877402 0.551694 Na\n0.519599 0.377402 0.948306 Na\n0.519599 0.122598 0.448306 Na\n0.480401 0.622598 0.051694 Na\n0.593581 0.678257 0.732411 Si\n0.406419 0.178257 0.767589 Si\n0.406419 0.321743 0.267589 Si\n0.593581 0.821743 0.232411 Si\n0.855134 0.819433 0.737334 Si\n0.144866 0.319433 0.762666 Si\n0.144866 0.180567 0.262666 Si\n0.855134 0.680567 0.237334 Si\n0.340891 0.828925 0.734864 Si\n0.659109 0.328925 0.765136 Si\n0.659109 0.171075 0.265136 Si\n0.340891 0.671075 0.234864 Si\n0.100062 0.668876 0.739444 Si\n0.899938 0.168876 0.760556 Si\n0.899938 0.331124 0.260556 Si\n0.100062 0.831124 0.239444 Si\n0.002805 0.088060 0.620297 H\n0.997195 0.588060 0.879703 H\n0.997195 0.911940 0.379703 H\n0.002805 0.411940 0.120297 H\n0.163453 0.086121 0.621381 H\n0.836547 0.586121 0.878619 H\n0.836547 0.913879 0.378619 H\n0.163453 0.413879 0.121381 H\n0.661925 0.831121 0.438215 H\n0.338075 0.331121 0.061785 H\n0.338075 0.168879 0.561785 H\n0.661925 0.668879 0.938215 H\n0.743974 0.855028 0.541814 H\n0.256026 0.355028 0.958186 H\n0.256026 0.144972 0.458186 H\n0.743974 0.644972 0.041814 H\n0.029229 0.647136 0.545784 H\n0.970771 0.147136 0.954216 H\n0.970771 0.352864 0.454216 H\n0.029229 0.852864 0.045784 H\n0.955304 0.678033 0.441352 H\n0.044696 0.178033 0.058648 H\n0.044696 0.321967 0.558648 H\n0.955304 0.821967 0.941352 H\n0.256092 0.786801 0.429464 H\n0.743908 0.286801 0.070536 H\n0.743908 0.213199 0.570536 H\n0.256092 0.713199 0.929464 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"elements": [
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"updated_at": "2021-11-28T01:37:14.550000Z",
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{
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},
{
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{
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{
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"elements": [
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],
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"density": 3.355871661029591,
"density_atomic": 0.07660614135789101,
"volume": 1879.744853970078,
"volume_molar": 7.861172294092677,
"formula_full": "Sr14 Mg16 P24 O90",
"formula_reduced": "Sr7Mg8(P4O15)3",
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"energy": -1075.8963483,
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"band_gap": 5.1094,
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"total_magnetization": 0.1298129,
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"updated_at": "2021-11-28T01:35:04.561000Z",
"spacegroup": 12
},
{
"id": "mp-1224647",
"created_at": "2022-09-04T14:41:12.893708Z",
"structure_string": "La6 Nd22 Si18 O78\n1.0\n4.831190 -8.367867 0.000000\n4.831190 8.367867 0.000000\n0.000000 0.000000 21.401915\nLa Nd Si O\n6 22 18 78\ndirect\n0.666667 0.333333 0.841721 La\n0.333333 0.666667 0.341721 La\n0.333333 0.666667 0.168975 La\n0.666667 0.333333 0.668975 La\n0.666667 0.333333 0.501744 La\n0.333333 0.666667 0.001744 La\n0.245581 0.230493 0.918585 Nd\n0.769507 0.015088 0.918585 Nd\n0.984912 0.754419 0.918585 Nd\n0.754419 0.769507 0.418585 Nd\n0.230493 0.984912 0.418585 Nd\n0.015088 0.245581 0.418585 Nd\n0.760268 0.769720 0.082247 Nd\n0.230280 0.990548 0.082247 Nd\n0.009452 0.239732 0.082247 Nd\n0.239732 0.230280 0.582247 Nd\n0.769720 0.009452 0.582247 Nd\n0.990548 0.760268 0.582247 Nd\n0.666667 0.333333 0.156358 Nd\n0.333333 0.666667 0.656358 Nd\n0.333333 0.666667 0.832007 Nd\n0.666667 0.333333 0.332007 Nd\n0.242790 0.231749 0.249562 Nd\n0.768251 0.011041 0.249562 Nd\n0.988959 0.757210 0.249562 Nd\n0.757210 0.768251 0.749562 Nd\n0.231749 0.988959 0.749562 Nd\n0.011041 0.242790 0.749562 Nd\n0.400437 0.372388 0.749848 Si\n0.627612 0.028049 0.749848 Si\n0.971951 0.599563 0.749848 Si\n0.599563 0.627612 0.249848 Si\n0.372388 0.971951 0.249848 Si\n0.028049 0.400437 0.249848 Si\n0.399131 0.370049 0.083652 Si\n0.629951 0.029082 0.083652 Si\n0.970918 0.600869 0.083652 Si\n0.600869 0.629951 0.583652 Si\n0.370049 0.970918 0.583652 Si\n0.029082 0.399131 0.583652 Si\n0.603332 0.634537 0.914881 Si\n0.365463 0.968795 0.914881 Si\n0.031205 0.396668 0.914881 Si\n0.396668 0.365463 0.414881 Si\n0.634537 0.031205 0.414881 Si\n0.968795 0.603332 0.414881 Si\n0.465133 0.160765 0.910352 O\n0.839235 0.304369 0.910352 O\n0.695631 0.534867 0.910352 O\n0.534867 0.839235 0.410352 O\n0.160765 0.695631 0.410352 O\n0.304369 0.465133 0.410352 O\n0.516942 0.830898 0.084882 O\n0.169102 0.686044 0.084882 O\n0.313956 0.483058 0.084882 O\n0.483058 0.169102 0.584882 O\n0.830898 0.313956 0.584882 O\n0.686044 0.516942 0.584882 O\n0.255057 0.888350 0.851430 O\n0.111650 0.366707 0.851430 O\n0.633293 0.744943 0.851430 O\n0.744943 0.111650 0.351430 O\n0.888350 0.633293 0.351430 O\n0.366707 0.255057 0.351430 O\n0.742476 0.099296 0.147451 O\n0.900704 0.643181 0.147451 O\n0.356819 0.257524 0.147451 O\n0.257524 0.900704 0.647451 O\n0.099296 0.356819 0.647451 O\n0.643181 0.742476 0.647451 O\n0.165080 0.672892 0.748154 O\n0.327108 0.492188 0.748154 O\n0.507812 0.834920 0.748154 O\n0.834920 0.327108 0.248154 O\n0.672892 0.507812 0.248154 O\n0.492188 0.165080 0.248154 O\n0.240644 0.914120 0.974315 O\n0.085880 0.326524 0.974315 O\n0.673476 0.759356 0.974315 O\n0.759356 0.085880 0.474315 O\n0.914120 0.673476 0.474315 O\n0.326524 0.240644 0.474315 O\n0.761117 0.066027 0.027721 O\n0.933973 0.695090 0.027721 O\n0.304910 0.238883 0.027721 O\n0.238883 0.933973 0.527721 O\n0.066027 0.304910 0.527721 O\n0.695090 0.761117 0.527721 O\n0.338308 0.252675 0.810889 O\n0.747325 0.085633 0.810889 O\n0.914367 0.661692 0.810889 O\n0.661692 0.747325 0.310889 O\n0.252675 0.914367 0.310889 O\n0.085633 0.338308 0.310889 O\n0.656177 0.749034 0.188978 O\n0.250966 0.907143 0.188978 O\n0.092857 0.343823 0.188978 O\n0.343823 0.250966 0.688978 O\n0.749034 0.092857 0.688978 O\n0.907143 0.656177 0.688978 O\n0.000000 0.000000 0.750293 O\n0.000000 0.000000 0.250293 O\n0.528190 0.125757 0.750935 O\n0.874243 0.402433 0.750935 O\n0.597567 0.471810 0.750935 O\n0.471810 0.874243 0.250935 O\n0.125757 0.597567 0.250935 O\n0.402433 0.528190 0.250935 O\n0.888357 0.408112 0.082977 O\n0.591888 0.480244 0.082977 O\n0.519756 0.111643 0.082977 O\n0.111643 0.591888 0.582977 O\n0.408112 0.519756 0.582977 O\n0.480244 0.888357 0.582977 O\n0.122681 0.593480 0.921429 O\n0.406520 0.529201 0.921429 O\n0.470799 0.877319 0.921429 O\n0.877319 0.406520 0.421429 O\n0.593480 0.470799 0.421429 O\n0.529201 0.122681 0.421429 O\n0.000000 0.000000 0.908375 O\n0.000000 0.000000 0.408375 O\n0.000000 0.000000 0.096854 O\n0.000000 0.000000 0.596854 O\n",
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"elements": [
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],
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"volume": 1730.4199643831178,
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"formula_full": "La6 Nd22 Si18 O78",
"formula_reduced": "La3Nd11(Si3O13)3",
"formula_anonymous": "A3B9C11D39",
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"updated_at": "2021-11-28T01:35:25.656000Z",
"spacegroup": 173
}
]
}