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{
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"results": [
{
"id": "jvasp-9527",
"created_at": "2022-09-04T14:37:16.164770Z",
"updated_at": "2022-09-04T14:37:16.164795Z",
"structure_string": "V2 Zn2 S2 F10\n1.0\n6.029803 0.336833 -0.038310\n-2.459929 5.913441 -0.347110\n-2.640369 -1.881516 7.477571\nV Zn S F\n2 2 2 10\ndirect\n-0.002249 0.500807 -0.000664 V\n0.497765 0.000799 -0.000664 V\n0.695616 0.605197 0.264947 Zn\n0.299868 0.396379 0.733715 Zn\n0.651960 0.648914 0.535628 S\n0.343478 0.352586 0.463020 S\n0.296662 0.116450 0.830321 F\n0.681936 0.528206 0.913372 F\n0.698864 0.885141 0.168348 F\n0.313550 0.473374 0.085289 F\n-0.018200 0.393630 0.760149 F\n0.584489 0.242092 0.195864 F\n0.013727 0.608010 0.238522 F\n0.411057 0.759533 0.802803 F\n0.812141 0.182676 -0.020396 F\n0.183389 0.818936 0.019060 F\n",
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{
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"updated_at": "2022-09-04T14:38:13.540478Z",
"structure_string": "Li2 V2 Si2 O10\n1.0\n0.000000 4.584665 0.056667\n6.229963 0.000000 0.000000\n0.000000 -0.355036 -6.401064\nLi V Si O\n2 2 2 10\ndirect\n0.499999 0.000000 0.499999 Li\n0.499999 0.500000 0.499999 Li\n0.892537 0.750000 0.244779 V\n0.107461 0.250000 0.755220 V\n0.983772 0.250000 0.254985 Si\n0.016226 0.750000 0.745014 Si\n0.150121 0.250000 0.035421 O\n0.246138 0.750000 0.295762 O\n0.773115 0.464213 0.265140 O\n0.773115 0.035787 0.265140 O\n0.229905 0.250000 0.451769 O\n0.770093 0.750000 0.548229 O\n0.226883 0.964213 0.734859 O\n0.226883 0.535786 0.734859 O\n0.753860 0.250000 0.704237 O\n0.849877 0.750000 0.964578 O\n",
"nsites": 16,
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],
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"density_atomic": 0.0875734730607286,
"volume": 182.70372797598947,
"volume_molar": 6.87667229530099,
"formula_full": "Li2 V2 Si2 O10",
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{
"id": "jvasp-9516",
"created_at": "2022-09-04T14:37:15.774937Z",
"updated_at": "2022-09-04T14:37:15.774967Z",
"structure_string": "Zn2 Fe2 P2 O10\n1.0\n5.148941 -0.239037 -0.151130\n-0.907486 5.501986 0.131297\n-2.047597 -2.154808 6.287172\nZn Fe P O\n2 2 2 10\ndirect\n0.274505 0.164772 0.785523 Zn\n0.733990 0.825066 0.243622 Zn\n0.004259 0.494905 0.514549 Fe\n0.004244 0.494931 0.014549 Fe\n0.669418 0.846638 0.748590 P\n0.339079 0.143207 0.280515 P\n0.742659 0.720458 0.926216 O\n0.906207 0.864188 0.651088 O\n0.265833 0.269410 0.102902 O\n0.102282 0.125660 0.378013 O\n0.627841 0.290396 0.463865 O\n0.353953 0.865196 0.179562 O\n0.380661 0.699434 0.565239 O\n0.654541 0.124652 0.849532 O\n0.885470 0.536058 0.251994 O\n0.123031 0.453777 0.777110 O\n",
"nsites": 16,
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"volume_molar": 6.634549296222234,
"formula_full": "Zn2 Fe2 P2 O10",
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"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-9792",
"created_at": "2022-09-04T14:37:15.507391Z",
"updated_at": "2022-09-04T14:37:15.507416Z",
"structure_string": "Ca2 Ti2 Si2 O10\n1.0\n5.324764 0.003569 -1.330239\n-1.900160 4.974185 -1.330239\n-0.000728 -0.001058 7.082264\nCa Ti Si O\n2 2 2 10\ndirect\n0.170308 0.829690 0.749999 Ca\n0.829690 0.170309 0.249999 Ca\n0.499999 0.499999 0.499999 Ti\n0.500000 0.500000 -0.000000 Ti\n0.181120 0.818879 0.249999 Si\n0.818879 0.181120 0.749999 Si\n0.184971 0.609541 0.382913 O\n0.390458 0.815028 0.117086 O\n0.815027 0.390458 0.617086 O\n0.609541 0.184971 0.882913 O\n0.879585 0.750559 0.087968 O\n0.249440 0.120414 0.412030 O\n0.429227 0.570772 0.749999 O\n0.570772 0.429227 0.249999 O\n0.750559 0.879585 0.587968 O\n0.120414 0.249440 0.912030 O\n",
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{
"id": "jvasp-9528",
"created_at": "2022-09-04T14:37:19.917149Z",
"updated_at": "2022-09-04T14:37:19.917172Z",
"structure_string": "Mg2 V2 S2 F10\n1.0\n5.483254 0.071706 -0.020366\n-1.001423 6.048677 0.140537\n-1.598826 -2.124742 6.795691\nMg V S F\n2 2 2 10\ndirect\n0.390946 0.589800 0.681264 Mg\n0.632302 0.464970 0.236575 Mg\n0.513202 0.954169 0.446009 V\n0.960614 0.370855 0.933435 V\n0.922459 0.069744 0.716088 S\n0.102274 0.006675 0.336458 S\n0.271905 0.346194 0.091048 F\n0.574571 0.640702 0.480817 F\n0.972170 0.634048 0.216633 F\n0.181591 0.317476 0.462960 F\n0.629016 0.235337 0.402690 F\n0.747757 0.229586 0.064278 F\n0.392562 0.907615 0.669802 F\n0.148869 0.589072 0.838170 F\n0.528241 0.789244 0.204300 F\n0.661742 0.487519 0.833226 F\n",
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"elements": [
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],
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"volume": 227.25773627758488,
"volume_molar": 8.553612979141091,
"formula_full": "Mg2 V2 S2 F10",
"formula_reduced": "MgVSF5",
"formula_anonymous": "ABCD5",
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"spacegroup": 1
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{
"id": "jvasp-56641",
"created_at": "2022-09-04T14:38:33.489325Z",
"updated_at": "2022-09-04T14:38:33.489347Z",
"structure_string": "V2 Bi2 Pb2 O10\n1.0\n5.723814 -0.027385 0.060238\n-2.768294 6.696620 -0.039013\n-0.913116 -2.614649 6.667820\nV Bi Pb O\n2 2 2 10\ndirect\n0.426379 0.698754 0.622039 V\n0.730452 0.389096 0.923279 V\n0.005119 0.019084 0.018014 Bi\n0.151722 0.068763 0.527292 Bi\n0.764963 0.359632 0.391705 Pb\n0.391889 0.728221 0.153601 Pb\n0.321308 0.063198 0.269979 O\n0.941318 0.331295 0.068376 O\n0.911486 0.658482 0.959563 O\n0.631052 0.229693 0.669265 O\n0.835537 0.024653 0.275316 O\n0.525764 0.858171 0.876049 O\n0.695883 0.736533 0.529928 O\n0.460966 0.351321 0.015412 O\n0.215521 0.756544 0.476921 O\n0.245338 0.429369 0.585767 O\n",
"nsites": 16,
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],
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"volume": 255.29295480855063,
"volume_molar": 9.608813180583818,
"formula_full": "V2 Bi2 Pb2 O10",
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"spacegroup": 2
},
{
"id": "jvasp-42826",
"created_at": "2022-09-04T14:35:59.753563Z",
"updated_at": "2022-09-04T14:35:59.753592Z",
"structure_string": "Li2 V2 Ge2 O10\n1.0\n0.000000 4.670502 0.099612\n6.365198 0.000000 0.000000\n0.000000 -0.442916 -6.596529\nLi V Ge O\n2 2 2 10\ndirect\n-0.000000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.382651 0.750000 0.248139 V\n0.617347 0.250000 0.751861 V\n0.475136 0.250000 0.252201 Ge\n0.524863 0.750000 0.747799 Ge\n0.648158 0.250000 0.023842 O\n0.729067 0.750000 0.310893 O\n0.249021 0.474772 0.264029 O\n0.249021 0.025228 0.264029 O\n0.742968 0.250000 0.456787 O\n0.257031 0.750000 0.543214 O\n0.750977 0.974773 0.735972 O\n0.750977 0.525228 0.735972 O\n0.270931 0.250000 0.689108 O\n0.351841 0.750000 0.976158 O\n",
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],
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"density_atomic": 0.08170551988599226,
"volume": 195.82520278098212,
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"formula_full": "Li2 V2 Ge2 O10",
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{
"id": "jvasp-48109",
"created_at": "2022-09-04T14:36:15.710223Z",
"updated_at": "2022-09-04T14:36:15.710249Z",
"structure_string": "Li2 V2 Ge2 O10\n1.0\n6.497913 0.073717 0.000000\n0.073717 6.497913 -0.000000\n0.000000 -0.000000 4.550822\nLi V Ge O\n2 2 2 10\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.250000 0.250000 0.618033 V\n0.750000 0.750000 0.381967 V\n0.250000 0.750000 0.500000 Ge\n0.750000 0.250000 0.500000 Ge\n0.030375 0.742444 0.268885 O\n0.250000 0.250000 0.260477 O\n0.242445 0.530375 0.731115 O\n0.257556 0.969625 0.731115 O\n0.469625 0.757555 0.268885 O\n0.530375 0.242445 0.731115 O\n0.742444 0.030375 0.268885 O\n0.757555 0.469625 0.268885 O\n0.750000 0.750000 0.739523 O\n0.969625 0.257556 0.731115 O\n",
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"formula_full": "Li2 V2 Ge2 O10",
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},
{
"id": "jvasp-86025",
"created_at": "2022-09-04T14:36:06.348479Z",
"updated_at": "2022-09-04T14:36:06.348489Z",
"structure_string": "Mn2 V2 Bi2 O10\n1.0\n5.071000 0.015877 -1.672564\n-1.520114 6.324857 -2.366398\n-0.048005 -0.004578 6.978113\nMn V Bi O\n2 2 2 10\ndirect\n0.324533 0.361696 0.224934 Mn\n0.675469 0.638305 0.775066 Mn\n0.654902 0.182090 0.885174 V\n0.345100 0.817911 0.114827 V\n0.089230 0.758414 0.524609 Bi\n0.910772 0.241587 0.475391 Bi\n0.228614 0.649589 0.224760 O\n0.429389 0.086113 0.293951 O\n0.632609 0.757791 0.073511 O\n0.570613 0.913888 0.706050 O\n0.727925 0.500445 0.444635 O\n0.771388 0.350412 0.775240 O\n0.915694 0.217065 0.132953 O\n0.084309 0.782936 0.867047 O\n0.367393 0.242210 0.926489 O\n0.272077 0.499556 0.555365 O\n",
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{
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"updated_at": "2022-09-04T14:38:08.520650Z",
"structure_string": "Co2 P2 H2 O10\n1.0\n5.052927 -0.133840 0.068985\n-0.942746 4.984495 -0.001138\n-2.097516 -2.269238 6.118744\nCo P H O\n2 2 2 10\ndirect\n-0.000001 -0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.681621 0.324268 0.245136 P\n0.318378 0.675731 0.754864 P\n0.313344 -0.074985 0.302638 H\n0.686656 0.074985 0.697362 H\n0.898235 0.088375 0.745851 O\n0.672293 0.098706 0.362110 O\n0.249316 0.374338 0.587334 O\n0.375304 0.242837 0.072524 O\n0.909688 0.325045 0.136424 O\n0.090310 0.674954 0.863576 O\n0.624694 0.757162 0.927475 O\n0.750683 0.625661 0.412666 O\n0.327706 0.901293 0.637890 O\n0.101763 0.911624 0.254149 O\n",
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"volume_molar": 5.803532011841159,
"formula_full": "Co2 P2 H2 O10",
"formula_reduced": "CoPHO5",
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"spacegroup": 2
},
{
"id": "jvasp-27055",
"created_at": "2022-09-04T14:38:33.150939Z",
"updated_at": "2022-09-04T14:38:33.150969Z",
"structure_string": "V2 Bi2 Pb2 O10\n1.0\n5.723624 -0.023067 0.064912\n-2.774246 6.694193 -0.045547\n-0.916199 -2.610288 6.669629\nV Bi Pb O\n2 2 2 10\ndirect\n0.847983 0.154840 0.349424 V\n0.152015 0.845159 0.650576 V\n0.573275 0.524806 0.254624 Bi\n0.426723 0.475193 0.745375 Bi\n0.186591 0.815680 0.119041 Pb\n0.813407 0.184319 0.880958 Pb\n0.947317 0.314208 0.603408 O\n0.052681 0.685790 0.396591 O\n0.637125 0.212631 0.204316 O\n0.362872 0.787368 0.795684 O\n0.117555 0.192693 0.257372 O\n0.882442 0.807306 0.742628 O\n0.333108 0.114576 0.686916 O\n0.666890 0.885423 0.313084 O\n0.257128 0.480770 0.002675 O\n0.742870 0.519229 0.997325 O\n",
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"formula_full": "V2 Bi2 Pb2 O10",
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"spacegroup": 2
},
{
"id": "jvasp-22976",
"created_at": "2022-09-04T14:37:32.718733Z",
"updated_at": "2022-09-04T14:37:32.718759Z",
"structure_string": "Ca4 Ti4 Ge4 O20\n1.0\n0.000000 6.700561 -0.036093\n8.962680 0.000000 0.000000\n0.000000 -2.928827 -6.574523\nCa Ti Ge O\n4 4 4 20\ndirect\n0.749891 0.423789 0.754044 Ca\n0.250107 0.923789 0.745955 Ca\n0.250108 0.576211 0.245955 Ca\n0.749892 0.076211 0.254044 Ca\n0.250610 0.247483 0.990869 Ti\n0.749389 0.747483 0.509130 Ti\n0.749389 0.752517 0.009130 Ti\n0.250610 0.252517 0.490869 Ti\n0.750916 0.068259 0.751546 Ge\n0.249082 0.568259 0.748453 Ge\n0.750917 0.431741 0.251546 Ge\n0.249083 0.931741 0.248453 Ge\n0.059200 0.693274 0.575168 O\n0.438768 0.807041 0.422846 O\n0.561232 0.307041 0.077153 O\n0.249459 0.182149 0.749492 O\n0.750540 0.682149 0.750506 O\n0.750540 0.817851 0.250507 O\n0.249459 0.317851 0.249493 O\n0.940798 0.193274 0.924830 O\n0.059201 0.806726 0.075169 O\n0.142828 0.042256 0.392831 O\n0.357496 0.458744 0.605223 O\n0.642503 0.958744 0.894775 O\n0.642503 0.541256 0.394776 O\n0.357496 0.041256 0.105224 O\n0.438767 0.692959 0.922846 O\n0.857171 0.542256 0.107168 O\n0.857171 0.957744 0.607168 O\n0.142828 0.457744 0.892831 O\n0.940799 0.306726 0.424831 O\n0.561231 0.192959 0.577153 O\n",
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],
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"density_atomic": 0.08085293371513125,
"volume": 395.78032026327514,
"volume_molar": 7.448264995822885,
"formula_full": "Ca4 Ti4 Ge4 O20",
"formula_reduced": "CaTiGeO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 14
}
]
}