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{
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{
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"created_at": "2022-09-04T14:48:06.322317Z",
"structure_string": "La2 Ni4 As2 N2\n1.0\n1.852239 -5.703011 0.000000\n1.852239 5.703011 0.000000\n0.000000 0.000000 6.993159\nLa Ni As N\n2 4 2 2\ndirect\n0.537883 0.462117 0.250000 La\n0.462117 0.537883 0.750000 La\n0.831880 0.168120 0.446636 Ni\n0.168120 0.831880 0.553364 Ni\n0.831880 0.168120 0.053364 Ni\n0.168120 0.831880 0.946636 Ni\n0.267623 0.732377 0.250000 As\n0.732377 0.267623 0.750000 As\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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{
"id": "mp-1197059",
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"structure_string": "Li4 Sn4 H24 N12\n1.0\n0.000000 -7.784963 0.000000\n-8.801444 0.000000 -0.323316\n-0.438377 0.000000 -9.069293\nLi Sn H N\n4 4 24 12\ndirect\n0.490975 0.155960 0.974916 Li\n0.009025 0.655960 0.474916 Li\n0.509025 0.844040 0.025084 Li\n0.990975 0.344040 0.525084 Li\n0.336854 0.533406 0.288913 Sn\n0.163146 0.033406 0.788913 Sn\n0.663146 0.466594 0.711087 Sn\n0.836854 0.966594 0.211087 Sn\n0.432250 0.846939 0.775166 H\n0.067750 0.346939 0.275166 H\n0.567750 0.153061 0.224834 H\n0.932250 0.653061 0.724834 H\n0.512878 0.014291 0.743745 H\n0.987122 0.514291 0.243745 H\n0.487122 0.985709 0.256255 H\n0.012878 0.485709 0.756255 H\n0.308267 0.621246 0.000862 H\n0.191733 0.121246 0.500862 H\n0.691733 0.378754 0.999138 H\n0.808267 0.878754 0.499138 H\n0.199842 0.743748 0.086638 H\n0.300158 0.243748 0.586638 H\n0.800158 0.256252 0.913362 H\n0.699842 0.756252 0.413362 H\n0.337478 0.711342 0.514492 H\n0.162522 0.211342 0.014492 H\n0.662522 0.288658 0.485508 H\n0.837478 0.788658 0.985508 H\n0.274990 0.819040 0.369802 H\n0.225010 0.319040 0.869802 H\n0.725010 0.180960 0.630198 H\n0.774990 0.680960 0.130198 H\n0.432668 0.952162 0.815353 N\n0.067332 0.452162 0.315353 N\n0.567332 0.047838 0.184647 N\n0.932668 0.547838 0.684647 N\n0.315266 0.687754 0.088239 N\n0.184734 0.187754 0.588239 N\n0.684734 0.312246 0.911761 N\n0.815266 0.812246 0.411761 N\n0.258390 0.713828 0.424393 N\n0.241610 0.213828 0.924393 N\n0.741610 0.286172 0.575607 N\n0.758390 0.786172 0.075607 N\n",
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"formula_full": "Li4 Sn4 H24 N12",
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{
"id": "mp-1178551",
"created_at": "2022-09-04T14:48:05.637853Z",
"structure_string": "Ba6 Cl4 O4\n1.0\n8.135084 0.000000 0.000000\n0.000000 7.592431 0.000000\n0.000000 3.346239 6.852960\nBa Cl O\n6 4 4\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.887992 0.602155 0.759115 Ba\n0.387992 0.397845 0.740885 Ba\n0.612008 0.602155 0.259115 Ba\n0.112008 0.397845 0.240885 Ba\n0.337786 0.819351 0.925639 Cl\n0.162214 0.819351 0.425639 Cl\n0.837786 0.180649 0.574361 Cl\n0.662214 0.180649 0.074361 Cl\n0.612884 0.660988 0.563423 O\n0.112884 0.339012 0.936577 O\n0.887116 0.660988 0.063423 O\n0.387116 0.339012 0.436577 O\n",
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"volume": 423.27351264133716,
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"formula_full": "Ba6 Cl4 O4",
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{
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"structure_string": "H8\n1.0\n7.177739 0.000000 0.000000\n0.000000 7.194118 0.000000\n0.000000 0.000000 7.215497\nH\n8\ndirect\n0.365603 0.722217 0.646779 H\n0.865603 0.777783 0.353221 H\n0.634397 0.222217 0.853221 H\n0.134397 0.277783 0.146779 H\n0.644591 0.148776 0.779789 H\n0.144591 0.351224 0.220211 H\n0.355409 0.648776 0.720211 H\n0.855409 0.851224 0.279789 H\n",
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{
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"structure_string": "Nd3 In3 Cu3\n1.0\n3.799603 -6.581105 0.000000\n3.799603 6.581105 0.000000\n0.000000 0.000000 4.100997\nNd In Cu\n3 3 3\ndirect\n0.000000 0.586601 0.500000 Nd\n0.413399 0.413399 0.500000 Nd\n0.586601 0.000000 0.500000 Nd\n0.751372 0.751372 0.000000 In\n0.000000 0.248628 0.000000 In\n0.248628 0.000000 0.000000 In\n0.333333 0.666667 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.666667 0.333333 0.000000 Cu\n",
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{
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"structure_string": "Cs16 Er8 Si32 O80 F8\n1.0\n9.037261 0.000000 0.000000\n0.000000 12.133986 0.000000\n0.000000 0.000000 22.655088\nCs Er Si O F\n16 8 32 80 8\ndirect\n0.250000 0.557156 0.956134 Cs\n0.250000 0.942844 0.456134 Cs\n0.750000 0.442844 0.043866 Cs\n0.750000 0.057156 0.543866 Cs\n0.250000 0.952950 0.983968 Cs\n0.250000 0.547050 0.483968 Cs\n0.750000 0.047050 0.016032 Cs\n0.750000 0.452950 0.516032 Cs\n0.250000 0.821866 0.771745 Cs\n0.250000 0.678134 0.271745 Cs\n0.750000 0.178134 0.228255 Cs\n0.750000 0.321866 0.728255 Cs\n0.250000 0.377422 0.762741 Cs\n0.250000 0.122578 0.262741 Cs\n0.750000 0.622578 0.237259 Cs\n0.750000 0.877422 0.737259 Cs\n0.500107 0.096853 0.848972 Er\n0.999893 0.403147 0.348972 Er\n0.000107 0.903147 0.151028 Er\n0.499893 0.596853 0.651028 Er\n0.499893 0.903147 0.151028 Er\n0.000107 0.596853 0.651028 Er\n0.999893 0.096853 0.848972 Er\n0.500107 0.403147 0.348972 Er\n0.070341 0.304953 0.611774 Si\n0.429659 0.195047 0.111774 Si\n0.570341 0.695047 0.388226 Si\n0.929659 0.804953 0.888226 Si\n0.929659 0.695047 0.388226 Si\n0.570341 0.804953 0.888226 Si\n0.429659 0.304953 0.611774 Si\n0.070341 0.195047 0.111774 Si\n0.070431 0.089235 0.689910 Si\n0.429569 0.410765 0.189910 Si\n0.570431 0.910765 0.310090 Si\n0.929569 0.589235 0.810090 Si\n0.929569 0.910765 0.310090 Si\n0.570431 0.589235 0.810090 Si\n0.429569 0.089235 0.689910 Si\n0.070431 0.410765 0.189910 Si\n0.073137 0.249213 0.979184 Si\n0.426863 0.250787 0.479184 Si\n0.573137 0.750787 0.020816 Si\n0.926863 0.749213 0.520816 Si\n0.926863 0.750787 0.020816 Si\n0.573137 0.749213 0.520816 Si\n0.426863 0.249213 0.979184 Si\n0.073137 0.250787 0.479184 Si\n0.072102 0.875635 0.617535 Si\n0.427898 0.624365 0.117535 Si\n0.572102 0.124365 0.382465 Si\n0.927898 0.375635 0.882465 Si\n0.927898 0.124365 0.382465 Si\n0.572102 0.375635 0.882465 Si\n0.427898 0.875635 0.617535 Si\n0.072102 0.624365 0.117535 Si\n0.250000 0.318334 0.608542 O\n0.250000 0.181666 0.108542 O\n0.750000 0.681666 0.391458 O\n0.750000 0.818334 0.891458 O\n0.250000 0.077549 0.695336 O\n0.250000 0.422451 0.195336 O\n0.750000 0.922451 0.304664 O\n0.750000 0.577549 0.804664 O\n0.250000 0.276258 0.982386 O\n0.250000 0.223742 0.482386 O\n0.750000 0.723742 0.017614 O\n0.750000 0.776258 0.517614 O\n0.250000 0.886387 0.606264 O\n0.250000 0.613613 0.106264 O\n0.750000 0.113613 0.393736 O\n0.750000 0.386387 0.893736 O\n0.030911 0.211647 0.662498 O\n0.469089 0.288353 0.162498 O\n0.530911 0.788353 0.337502 O\n0.969089 0.711647 0.837502 O\n0.969089 0.788353 0.337502 O\n0.530911 0.711647 0.837502 O\n0.469089 0.211647 0.662498 O\n0.030911 0.288353 0.162498 O\n0.012029 0.252798 0.548199 O\n0.487971 0.247202 0.048199 O\n0.512029 0.747202 0.451801 O\n0.987971 0.752798 0.951801 O\n0.987971 0.747202 0.451801 O\n0.512029 0.752798 0.951801 O\n0.487971 0.252798 0.548199 O\n0.012029 0.247202 0.048199 O\n0.013406 0.998062 0.640144 O\n0.486594 0.501938 0.140144 O\n0.513406 0.001938 0.359856 O\n0.986594 0.498062 0.859856 O\n0.986594 0.001938 0.359856 O\n0.513406 0.498062 0.859856 O\n0.486594 0.998062 0.640144 O\n0.013406 0.501938 0.140144 O\n0.009445 0.918318 0.871638 O\n0.490555 0.581682 0.371638 O\n0.509445 0.081682 0.128362 O\n0.990555 0.418318 0.628362 O\n0.990555 0.081682 0.128362 O\n0.509445 0.418318 0.628362 O\n0.490555 0.918318 0.871638 O\n0.009445 0.581682 0.371638 O\n0.009412 0.572138 0.747876 O\n0.490588 0.927862 0.247876 O\n0.509412 0.427862 0.252124 O\n0.990588 0.072138 0.752124 O\n0.990588 0.427862 0.252124 O\n0.509412 0.072138 0.752124 O\n0.490588 0.572138 0.747876 O\n0.009412 0.927862 0.247876 O\n0.029520 0.139553 0.944360 O\n0.470480 0.360447 0.444360 O\n0.529520 0.860447 0.055640 O\n0.970480 0.639553 0.555640 O\n0.970480 0.860447 0.055640 O\n0.529520 0.639553 0.555640 O\n0.470480 0.139553 0.944360 O\n0.029520 0.360447 0.444360 O\n0.024383 0.779764 0.662044 O\n0.475617 0.720236 0.162044 O\n0.524383 0.220236 0.337956 O\n0.975617 0.279764 0.837956 O\n0.975617 0.220236 0.337956 O\n0.524383 0.279764 0.837956 O\n0.475617 0.779764 0.662044 O\n0.024383 0.720236 0.162044 O\n0.000876 0.861971 0.550245 O\n0.499124 0.638029 0.050245 O\n0.500876 0.138029 0.449755 O\n0.999124 0.361971 0.949755 O\n0.999124 0.138029 0.449755 O\n0.500876 0.361971 0.949755 O\n0.499124 0.861971 0.550245 O\n0.000876 0.638029 0.050245 O\n0.250000 0.586226 0.645147 F\n0.250000 0.913774 0.145147 F\n0.750000 0.413774 0.354853 F\n0.750000 0.086226 0.854853 F\n0.250000 0.101145 0.841821 F\n0.250000 0.398855 0.341821 F\n0.750000 0.898855 0.158179 F\n0.750000 0.601145 0.658179 F\n",
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{
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