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"results": [
{
"id": "mp-1203696",
"created_at": "2022-09-04T14:39:18.897621Z",
"structure_string": "Na12 Cu4 P4 H4 Cl4 O20\n1.0\n0.000000 6.887045 0.000000\n0.000000 0.000000 8.552762\n11.203735 0.000000 0.000000\nNa Cu P H Cl O\n12 4 4 4 4 20\ndirect\n0.959297 0.091102 0.246221 Na\n0.540703 0.408898 0.746221 Na\n0.459297 0.908898 0.753779 Na\n0.040703 0.591102 0.253779 Na\n0.040703 0.908898 0.753779 Na\n0.459297 0.591102 0.253779 Na\n0.540703 0.091102 0.246221 Na\n0.959297 0.408898 0.746221 Na\n0.250000 0.782675 0.481746 Na\n0.250000 0.717325 0.981746 Na\n0.750000 0.217325 0.518254 Na\n0.750000 0.282675 0.018254 Na\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.250000 0.181596 0.540347 P\n0.250000 0.318404 0.040347 P\n0.750000 0.818404 0.459653 P\n0.750000 0.681596 0.959653 P\n0.250000 0.040646 0.373861 H\n0.250000 0.459354 0.873861 H\n0.750000 0.959354 0.626139 H\n0.750000 0.540646 0.126139 H\n0.250000 0.631745 0.724723 Cl\n0.250000 0.868255 0.224723 Cl\n0.750000 0.368255 0.275277 Cl\n0.750000 0.131745 0.775277 Cl\n0.750000 0.476051 0.576318 O\n0.750000 0.023949 0.076318 O\n0.250000 0.523949 0.423682 O\n0.250000 0.976051 0.923682 O\n0.064820 0.275214 0.568407 O\n0.435180 0.224786 0.068407 O\n0.564820 0.724786 0.431593 O\n0.935180 0.775214 0.931593 O\n0.935180 0.724786 0.431593 O\n0.564820 0.775214 0.931593 O\n0.435180 0.275214 0.568407 O\n0.064820 0.224786 0.068407 O\n0.250000 0.152562 0.394060 O\n0.250000 0.347438 0.894060 O\n0.750000 0.847438 0.605940 O\n0.750000 0.652562 0.105940 O\n0.250000 0.017658 0.596804 O\n0.250000 0.482342 0.096804 O\n0.750000 0.982342 0.403196 O\n0.750000 0.517658 0.903196 O\n",
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"formula_full": "Na12 Cu4 P4 H4 Cl4 O20",
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"updated_at": "2021-11-28T01:34:29.090000Z",
"spacegroup": 62
},
{
"id": "mp-698396",
"created_at": "2022-09-04T14:39:17.957563Z",
"structure_string": "Cu2 H8 C4 N2 Cl6 O2\n1.0\n6.320241 0.000000 0.000000\n1.106281 7.844156 0.000000\n1.960560 2.464449 7.769967\nCu H C N Cl O\n2 8 4 2 6 2\ndirect\n0.703289 0.911379 0.612463 Cu\n0.296711 0.088621 0.387537 Cu\n0.969845 0.277637 0.753653 H\n0.030155 0.722363 0.246347 H\n0.913613 0.462039 0.858494 H\n0.086387 0.537961 0.141506 H\n0.719068 0.527215 0.572693 H\n0.280932 0.472785 0.427307 H\n0.509987 0.360047 0.708879 H\n0.490013 0.639953 0.291121 H\n0.884561 0.324804 0.865024 C\n0.115439 0.675196 0.134976 C\n0.569210 0.495360 0.675296 C\n0.430790 0.504640 0.324704 C\n0.757148 0.229779 0.986239 N\n0.242852 0.770221 0.013761 N\n0.621244 0.924662 0.359726 Cl\n0.378756 0.075338 0.640274 Cl\n0.017891 0.759516 0.565442 Cl\n0.982109 0.240484 0.434558 Cl\n0.756028 0.916962 0.857380 Cl\n0.243972 0.083038 0.142620 Cl\n0.477749 0.605733 0.745942 O\n0.522251 0.394267 0.254058 O\n",
"nsites": 24,
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"elements": [
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"C",
"N",
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"O"
],
"chemical_system": "C-Cl-Cu-H-N-O",
"density": 1.9653813109130263,
"density_atomic": 0.0623034658440675,
"volume": 385.211314890041,
"volume_molar": 9.665819835885463,
"formula_full": "Cu2 H8 C4 N2 Cl6 O2",
"formula_reduced": "CuH4C2NCl3O",
"formula_anonymous": "ABCD2E3F4",
"energy": -116.63583102,
"energy_per_atom": -4.8598262925,
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"spacegroup": 2
},
{
"id": "mp-1233344",
"created_at": "2022-09-04T14:39:20.097889Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.619459 0.612353 -1.092544\n-0.803706 7.745303 -2.621703\n0.008816 -0.302672 9.374442\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.168821 0.775387 0.051526 Sr\n0.831871 0.201075 0.994270 Sr\n0.205655 0.371846 0.841140 Mg\n0.844537 0.425207 0.428492 Zn\n0.025622 0.686276 0.437821 Zn\n0.592737 0.816303 0.556264 Sn\n0.421099 0.178315 0.452902 Sn\n0.364380 0.429380 0.225618 P\n0.654703 0.555929 0.762574 P\n0.775031 0.969957 0.260428 P\n0.211826 0.027298 0.774291 P\n0.900281 0.522409 0.850053 O\n0.624111 0.389248 0.207050 O\n0.653224 0.743238 0.758540 O\n0.004877 0.152846 0.748327 O\n0.450472 0.530508 0.839404 O\n0.230999 0.873560 0.619540 O\n0.783851 0.157759 0.391343 O\n0.168516 0.962929 0.901157 O\n0.258661 0.284342 0.267067 O\n0.829986 0.983219 0.111499 O\n0.208241 0.441120 0.074788 O\n0.350762 0.609172 0.359747 O\n0.617049 0.429633 0.589015 O\n0.517844 0.910819 0.245621 O\n0.963075 0.844734 0.306671 O\n0.437007 0.144158 0.819854 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
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"Mg",
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"Sn",
"P",
"O"
],
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"density": 3.8572807904596162,
"density_atomic": 0.06618194095805989,
"volume": 407.96627613430303,
"volume_molar": 9.099371630421487,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -187.11545254,
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"updated_at": "2021-11-28T01:34:33.179000Z",
"spacegroup": 1
},
{
"id": "mp-1173817",
"created_at": "2022-09-04T14:39:14.352461Z",
"structure_string": "Na1 Al1 H22 C10 N2 O12\n1.0\n7.336928 -0.216970 5.760749\n2.729349 7.010462 5.507747\n0.144279 -0.309367 9.804012\nNa Al H C N O\n1 1 22 10 2 12\ndirect\n0.028253 0.972090 0.026102 Na\n0.485168 0.521380 0.494624 Al\n0.186736 0.272848 0.153296 H\n0.333935 0.228988 0.391099 H\n0.189443 0.332965 0.844801 H\n0.363762 0.784329 0.190608 H\n0.773526 0.190746 0.354913 H\n0.159800 0.825257 0.669618 H\n0.624831 0.314491 0.809221 H\n0.839647 0.646334 0.209761 H\n0.944359 0.407286 0.700157 H\n0.619804 0.836793 0.889847 H\n0.826537 0.804548 0.467000 H\n0.821561 0.451744 0.897092 H\n0.267026 0.054601 0.326688 H\n0.026330 0.233040 0.534923 H\n0.944042 0.595747 0.684150 H\n0.209606 0.446627 0.263310 H\n0.541996 0.623740 0.837404 H\n0.706065 0.941613 0.918598 H\n0.452014 0.313736 0.147886 H\n0.570745 0.881725 0.553881 H\n0.817067 0.922141 0.697768 H\n0.854066 0.719775 0.890138 H\n0.234342 0.204554 0.259750 C\n0.308701 0.302273 0.268096 C\n0.231669 0.750422 0.315330 C\n0.298231 0.244477 0.753688 C\n0.747195 0.314861 0.238014 C\n0.235802 0.714871 0.758880 C\n0.709936 0.768323 0.249993 C\n0.746869 0.322338 0.669593 C\n0.683747 0.629543 0.718159 C\n0.749495 0.855005 0.848462 C\n0.693356 0.787535 0.571814 N\n0.857197 0.518609 0.750082 N\n0.079818 0.814400 0.300340 O\n0.267047 0.111049 0.789264 O\n0.247145 0.644970 0.468527 O\n0.450529 0.290994 0.615619 O\n0.824679 0.292575 0.087060 O\n0.640075 0.471815 0.265541 O\n0.350720 0.560440 0.721699 O\n0.205451 0.743270 0.885497 O\n0.542369 0.742110 0.364187 O\n0.729721 0.384373 0.527266 O\n0.732210 0.917611 0.185838 O\n0.925780 0.234435 0.664318 O\n",
"nsites": 48,
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"elements": [
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"H",
"C",
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],
"chemical_system": "Al-C-H-N-Na-O",
"density": 1.3377983179927575,
"density_atomic": 0.0938020742571041,
"volume": 511.71576300579216,
"volume_molar": 6.420050737357669,
"formula_full": "Na1 Al1 H22 C10 N2 O12",
"formula_reduced": "NaAlH22C10(NO6)2",
"formula_anonymous": "ABC2D10E12F22",
"energy": -288.87443045000003,
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"updated_at": "2021-11-28T01:34:43.349000Z",
"spacegroup": 1
},
{
"id": "mp-1196532",
"created_at": "2022-09-04T14:39:14.446689Z",
"structure_string": "K2 Ca8 Si16 H32 O56 F2\n1.0\n9.066717 0.000000 0.000000\n0.000000 9.066717 0.000000\n0.000000 0.000000 16.012845\nK Ca Si H O F\n2 8 16 32 56 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.745743 0.610035 0.500000 Ca\n0.254257 0.389965 0.500000 Ca\n0.754257 0.110035 0.000000 Ca\n0.245743 0.889965 0.000000 Ca\n0.610035 0.254257 0.500000 Ca\n0.389965 0.745743 0.500000 Ca\n0.110035 0.245743 0.000000 Ca\n0.889965 0.754257 0.000000 Ca\n0.586675 0.725805 0.310257 Si\n0.413325 0.274195 0.310257 Si\n0.913325 0.225805 0.810257 Si\n0.086675 0.774195 0.810257 Si\n0.725805 0.413325 0.310257 Si\n0.274195 0.586675 0.310257 Si\n0.225805 0.086675 0.810257 Si\n0.774195 0.913325 0.810257 Si\n0.413325 0.274195 0.689743 Si\n0.586675 0.725805 0.689743 Si\n0.086675 0.774195 0.189743 Si\n0.913325 0.225805 0.189743 Si\n0.274195 0.586675 0.689743 Si\n0.725805 0.413325 0.689743 Si\n0.774195 0.913325 0.189743 Si\n0.225805 0.086675 0.189743 Si\n0.671225 0.948523 0.411295 H\n0.328775 0.051477 0.411295 H\n0.828775 0.448523 0.911295 H\n0.171225 0.551477 0.911295 H\n0.948523 0.328775 0.411295 H\n0.051477 0.671225 0.411295 H\n0.448523 0.171225 0.911295 H\n0.551477 0.828775 0.911295 H\n0.328775 0.051477 0.588705 H\n0.671225 0.948523 0.588705 H\n0.171225 0.551477 0.088705 H\n0.828775 0.448523 0.088705 H\n0.051477 0.671225 0.588705 H\n0.948523 0.328775 0.588705 H\n0.551477 0.828775 0.088705 H\n0.448523 0.171225 0.088705 H\n0.925831 0.721875 0.351209 H\n0.074169 0.278125 0.351209 H\n0.574169 0.221875 0.851209 H\n0.425831 0.778125 0.851209 H\n0.721875 0.074169 0.351209 H\n0.278125 0.925831 0.351209 H\n0.221875 0.425831 0.851209 H\n0.778125 0.574169 0.851209 H\n0.074169 0.278125 0.648791 H\n0.925831 0.721875 0.648791 H\n0.425831 0.778125 0.148791 H\n0.574169 0.221875 0.148791 H\n0.278125 0.925831 0.648791 H\n0.721875 0.074169 0.648791 H\n0.778125 0.574169 0.148791 H\n0.221875 0.425831 0.148791 H\n0.637245 0.862755 0.250000 O\n0.362755 0.137245 0.250000 O\n0.862755 0.362755 0.750000 O\n0.137245 0.637245 0.750000 O\n0.862755 0.362755 0.250000 O\n0.137245 0.637245 0.250000 O\n0.362755 0.137245 0.750000 O\n0.637245 0.862755 0.750000 O\n0.689906 0.584168 0.282188 O\n0.310094 0.415832 0.282188 O\n0.810094 0.084168 0.782188 O\n0.189906 0.915832 0.782188 O\n0.584168 0.310094 0.282188 O\n0.415832 0.689906 0.282188 O\n0.084168 0.189906 0.782188 O\n0.915832 0.810094 0.782188 O\n0.310094 0.415832 0.717812 O\n0.689906 0.584168 0.717812 O\n0.189906 0.915832 0.217812 O\n0.810094 0.084168 0.217812 O\n0.415832 0.689906 0.717812 O\n0.584168 0.310094 0.717812 O\n0.915832 0.810094 0.217812 O\n0.084168 0.189906 0.217812 O\n0.601706 0.765123 0.408077 O\n0.398294 0.234877 0.408077 O\n0.898294 0.265123 0.908077 O\n0.101706 0.734877 0.908077 O\n0.765123 0.398294 0.408077 O\n0.234877 0.601706 0.408077 O\n0.265123 0.101706 0.908077 O\n0.734877 0.898294 0.908077 O\n0.398294 0.234877 0.591923 O\n0.601706 0.765123 0.591923 O\n0.101706 0.734877 0.091923 O\n0.898294 0.265123 0.091923 O\n0.234877 0.601706 0.591923 O\n0.765123 0.398294 0.591923 O\n0.734877 0.898294 0.091923 O\n0.265123 0.101706 0.091923 O\n0.949637 0.713852 0.410795 O\n0.050363 0.286148 0.410795 O\n0.550363 0.213852 0.910795 O\n0.449637 0.786148 0.910795 O\n0.713852 0.050363 0.410795 O\n0.286148 0.949637 0.410795 O\n0.213852 0.449637 0.910795 O\n0.786148 0.550363 0.910795 O\n0.050363 0.286148 0.589205 O\n0.949637 0.713852 0.589205 O\n0.449637 0.786148 0.089205 O\n0.550363 0.213852 0.089205 O\n0.286148 0.949637 0.589205 O\n0.713852 0.050363 0.589205 O\n0.786148 0.550363 0.089205 O\n0.213852 0.449637 0.089205 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 116,
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"elements": [
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],
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"formula_full": "K2 Ca8 Si16 H32 O56 F2",
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},
{
"id": "mp-772274",
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"structure_string": "Na2 Li10 Fe4 P4 C4 O28\n1.0\n6.540914 0.000000 0.000000\n0.000000 8.535982 0.000000\n0.000000 0.722333 10.068165\nNa Li Fe P C O\n2 10 4 4 4 28\ndirect\n0.001307 0.256806 0.878315 Na\n0.501307 0.743194 0.121685 Na\n0.255996 0.086294 0.623182 Li\n0.250168 0.092302 0.128994 Li\n0.019800 0.272447 0.375358 Li\n0.473338 0.275368 0.371700 Li\n0.480030 0.275738 0.873325 Li\n0.519800 0.727553 0.624642 Li\n0.973338 0.724632 0.628300 Li\n0.980030 0.724262 0.126675 Li\n0.755996 0.913706 0.376818 Li\n0.750168 0.907698 0.871006 Li\n0.745722 0.338168 0.640874 Fe\n0.748707 0.340216 0.146861 Fe\n0.245722 0.661832 0.359126 Fe\n0.248707 0.659784 0.853139 Fe\n0.250937 0.409469 0.603167 P\n0.248206 0.410246 0.109230 P\n0.750937 0.590531 0.396833 P\n0.748206 0.589754 0.890770 P\n0.750465 0.034577 0.606430 C\n0.756877 0.039920 0.105157 C\n0.250465 0.965423 0.393570 C\n0.256877 0.960080 0.894843 C\n0.247792 0.112204 0.419189 O\n0.280750 0.102505 0.928101 O\n0.756549 0.076990 0.727930 O\n0.752161 0.074896 0.228509 O\n0.746546 0.142742 0.507824 O\n0.736512 0.153141 0.011389 O\n0.059346 0.312312 0.648846 O\n0.432513 0.303755 0.656066 O\n0.063903 0.299879 0.149435 O\n0.435550 0.316900 0.169414 O\n0.255668 0.427684 0.447841 O\n0.757159 0.424404 0.343766 O\n0.269407 0.431041 0.955099 O\n0.724587 0.426450 0.835520 O\n0.257159 0.575596 0.656234 O\n0.755668 0.572316 0.552159 O\n0.224587 0.573550 0.164480 O\n0.769407 0.568959 0.044901 O\n0.559346 0.687688 0.351154 O\n0.932513 0.696245 0.343934 O\n0.563903 0.700121 0.850565 O\n0.935550 0.683100 0.830586 O\n0.246546 0.857258 0.492176 O\n0.236512 0.846859 0.988611 O\n0.256549 0.923010 0.272070 O\n0.252161 0.925104 0.771491 O\n0.747792 0.887796 0.580811 O\n0.780750 0.897495 0.071899 O\n",
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"structure_string": "Sr4 Ce1 Nd3 Nb2 Cu4 O20\n1.0\n2.794874 -14.532938 0.000000\n2.794874 14.532938 0.000000\n0.000000 0.000000 5.590158\nSr Ce Nd Nb Cu O\n4 1 3 2 4 20\ndirect\n0.081074 0.918926 0.500000 Sr\n0.581895 0.418105 0.000000 Sr\n0.418310 0.581690 0.000000 Sr\n0.918308 0.081692 0.500000 Sr\n0.708091 0.291909 0.000000 Ce\n0.205035 0.794965 0.500000 Nd\n0.794224 0.205776 0.500000 Nd\n0.294219 0.705781 0.000000 Nd\n0.499954 0.500046 0.500000 Nb\n0.999954 0.000046 0.000000 Nb\n0.142791 0.857209 0.000000 Cu\n0.642692 0.357308 0.500000 Cu\n0.357559 0.642441 0.500000 Cu\n0.857647 0.142353 0.000000 Cu\n0.068368 0.931632 0.000000 O\n0.568444 0.431556 0.500000 O\n0.431871 0.568129 0.500000 O\n0.931785 0.068215 0.000000 O\n0.400215 0.104482 0.753048 O\n0.895518 0.599785 0.246952 O\n0.895518 0.599785 0.753048 O\n0.400215 0.104482 0.246952 O\n0.103152 0.397248 0.749637 O\n0.602752 0.896848 0.250363 O\n0.602752 0.896848 0.749637 O\n0.103152 0.397248 0.250363 O\n0.504634 0.007634 0.756104 O\n0.992366 0.495366 0.243896 O\n0.992366 0.495366 0.756104 O\n0.504634 0.007634 0.243896 O\n0.249941 0.249687 0.749881 O\n0.750313 0.750059 0.250119 O\n0.750313 0.750059 0.749881 O\n0.249941 0.249687 0.250119 O\n",
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"elements": [
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"chemical_system": "Ce-Cu-Nb-Nd-O-Sr",
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"formula_full": "Sr4 Ce1 Nd3 Nb2 Cu4 O20",
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"updated_at": "2021-11-28T01:34:31.171000Z",
"spacegroup": 38
},
{
"id": "mp-720987",
"created_at": "2022-09-04T14:39:18.049255Z",
"structure_string": "Na6 Ca2 Sc6 Zn2 Si16 O48\n1.0\n18.677185 0.000000 0.000000\n0.000000 5.565139 0.000000\n0.000000 1.928207 10.058057\nNa Ca Sc Zn Si O\n6 2 6 2 16 48\ndirect\n0.764170 0.500000 0.750000 Na\n0.516791 0.000000 0.250000 Na\n0.267450 0.500000 0.750000 Na\n0.732550 0.500000 0.250000 Na\n0.483209 0.000000 0.750000 Na\n0.235830 0.500000 0.250000 Na\n0.007864 0.000000 0.250000 Ca\n0.992136 0.000000 0.750000 Ca\n0.819458 0.000000 0.250000 Sc\n0.573823 0.500000 0.750000 Sc\n0.673976 0.000000 0.750000 Sc\n0.326024 0.000000 0.250000 Sc\n0.426177 0.500000 0.250000 Sc\n0.180542 0.000000 0.750000 Sc\n0.075938 0.500000 0.750000 Zn\n0.924062 0.500000 0.250000 Zn\n0.862306 0.721259 0.488688 Si\n0.862306 0.278741 0.011312 Si\n0.611838 0.226542 0.990276 Si\n0.137694 0.721259 0.988688 Si\n0.611838 0.773458 0.509724 Si\n0.363007 0.726160 0.490048 Si\n0.137694 0.278741 0.511312 Si\n0.885276 0.222067 0.482350 Si\n0.363007 0.273840 0.009952 Si\n0.114724 0.222067 0.982350 Si\n0.885276 0.777933 0.017650 Si\n0.636993 0.726160 0.990048 Si\n0.114724 0.777933 0.517650 Si\n0.636993 0.273840 0.509952 Si\n0.388162 0.226542 0.490276 Si\n0.388162 0.773458 0.009724 Si\n0.875004 0.561012 0.922360 O\n0.036890 0.745594 0.592566 O\n0.915761 0.781940 0.358187 O\n0.621976 0.054815 0.418045 O\n0.915761 0.218060 0.141813 O\n0.784239 0.235020 0.080730 O\n0.124996 0.561012 0.422360 O\n0.036890 0.254406 0.907434 O\n0.665494 0.282309 0.859928 O\n0.963110 0.745594 0.092566 O\n0.875004 0.438988 0.577640 O\n0.084239 0.781940 0.858187 O\n0.372612 0.554947 0.917898 O\n0.665494 0.717691 0.640072 O\n0.534363 0.725082 0.583041 O\n0.879757 0.059586 0.918774 O\n0.784239 0.764980 0.419270 O\n0.084239 0.218060 0.641813 O\n0.417363 0.781632 0.360482 O\n0.714076 0.225268 0.584905 O\n0.621976 0.945185 0.081955 O\n0.963110 0.254406 0.407434 O\n0.825897 0.266262 0.364578 O\n0.120243 0.059586 0.418774 O\n0.124996 0.438988 0.077640 O\n0.417363 0.218368 0.139518 O\n0.285924 0.225268 0.084905 O\n0.627388 0.554947 0.417898 O\n0.534363 0.274918 0.916959 O\n0.825897 0.733738 0.135422 O\n0.174103 0.266262 0.864578 O\n0.465637 0.725082 0.083041 O\n0.372612 0.445053 0.582102 O\n0.714076 0.774732 0.915095 O\n0.582637 0.781632 0.860482 O\n0.879757 0.940414 0.581226 O\n0.174103 0.733738 0.635422 O\n0.378024 0.054815 0.918045 O\n0.285924 0.774732 0.415095 O\n0.582637 0.218368 0.639518 O\n0.215761 0.235020 0.580730 O\n0.120243 0.940414 0.081226 O\n0.465637 0.274918 0.416959 O\n0.334506 0.282309 0.359928 O\n0.627388 0.445053 0.082102 O\n0.334506 0.717691 0.140072 O\n0.215761 0.764980 0.919270 O\n0.378024 0.945185 0.581955 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ca-Na-O-Sc-Si-Zn",
"density": 2.9161995467383663,
"density_atomic": 0.07652237803004443,
"volume": 1045.4458167595128,
"volume_molar": 7.869777331848691,
"formula_full": "Na6 Ca2 Sc6 Zn2 Si16 O48",
"formula_reduced": "Na3CaSc3Zn(SiO3)8",
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"updated_at": "2021-11-28T01:34:37.869000Z",
"spacegroup": 13
}
]
}