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{
"id": "jvasp-96852",
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"structure_string": "V8 In8 Cu8 O40\n1.0\n6.218828 0.000000 0.000000\n0.000000 8.490461 -2.538691\n0.000000 0.010523 15.378040\nV In Cu O\n8 8 8 40\ndirect\n0.153483 0.069602 0.147621 V\n0.653483 0.930398 0.352379 V\n0.846517 0.930397 0.852379 V\n0.346517 0.069602 0.647621 V\n0.874064 0.323932 0.646825 V\n0.625937 0.323932 0.146825 V\n0.125936 0.676067 0.353175 V\n0.374064 0.676067 0.853175 V\n0.880726 0.624408 0.953173 In\n0.380726 0.375592 0.546827 In\n0.619274 0.624408 0.453173 In\n0.610413 0.296460 0.848144 In\n0.110413 0.703539 0.651855 In\n0.889587 0.296461 0.348145 In\n0.119274 0.375592 0.046827 In\n0.389587 0.703539 0.151856 In\n0.388426 0.286476 0.336222 Cu\n0.888426 0.713524 0.163778 Cu\n0.647361 0.933986 0.066192 Cu\n0.611575 0.713523 0.663778 Cu\n0.852640 0.933986 0.566192 Cu\n0.147361 0.066014 0.433808 Cu\n0.352639 0.066013 0.933808 Cu\n0.111574 0.286476 0.836222 Cu\n0.375963 0.721829 0.748530 O\n0.846577 0.766217 0.752624 O\n0.624038 0.278171 0.251470 O\n0.605411 0.370358 0.433783 O\n0.425021 0.028246 0.349269 O\n0.090679 0.447616 0.633986 O\n0.394589 0.629642 0.566217 O\n0.638085 0.420234 0.643390 O\n0.138085 0.579766 0.856610 O\n0.346577 0.233782 0.747376 O\n0.328277 0.286936 0.929484 O\n0.345909 0.137028 0.550573 O\n0.653423 0.766218 0.252624 O\n0.409321 0.447616 0.133986 O\n0.875695 0.055376 0.356672 O\n0.925021 0.971754 0.150731 O\n0.117515 0.849465 0.437664 O\n0.171723 0.286937 0.429484 O\n0.590679 0.552383 0.866014 O\n0.074980 0.028246 0.849269 O\n0.154091 0.137028 0.050573 O\n0.375694 0.944623 0.143328 O\n0.882485 0.150534 0.562336 O\n0.624306 0.055376 0.856672 O\n0.124306 0.944623 0.643328 O\n0.124037 0.721829 0.248530 O\n0.828277 0.713063 0.570516 O\n0.617516 0.150534 0.062336 O\n0.654091 0.862971 0.449427 O\n0.105411 0.629642 0.066217 O\n0.894590 0.370357 0.933783 O\n0.861916 0.420234 0.143390 O\n0.574980 0.971754 0.650731 O\n0.845909 0.862971 0.949427 O\n0.671723 0.713063 0.070516 O\n0.909321 0.552383 0.366014 O\n0.361916 0.579766 0.356610 O\n0.153423 0.233782 0.247376 O\n0.875963 0.278170 0.751470 O\n0.382485 0.849465 0.937664 O\n",
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{
"id": "jvasp-85707",
"created_at": "2022-09-04T14:35:53.391288Z",
"updated_at": "2022-09-04T14:35:53.391325Z",
"structure_string": "Ca2 Zr2 Ge2 O10\n1.0\n6.932075 -0.058722 -2.859198\n-0.098251 4.649850 3.545618\n0.101980 -4.581451 3.211276\nCa Zr Ge O\n2 2 2 10\ndirect\n0.795128 0.817423 0.153168 Ca\n0.204873 0.182578 0.846832 Ca\n0.500000 0.500001 0.500000 Zr\n0.000000 0.500001 0.500000 Zr\n0.251219 0.825889 0.185271 Ge\n0.748782 0.174113 0.814730 Ge\n0.249809 0.430004 0.602598 O\n0.750192 0.569997 0.397403 O\n0.052749 0.743839 0.899362 O\n0.947251 0.256163 0.100638 O\n0.396712 0.127173 0.212409 O\n0.603290 0.872829 0.787592 O\n0.620425 0.389299 0.810881 O\n0.379576 0.610703 0.189120 O\n0.870138 0.160661 0.567252 O\n0.129863 0.839340 0.432749 O\n",
"nsites": 16,
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"formula_full": "Ca2 Zr2 Ge2 O10",
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"spacegroup": 2
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{
"id": "jvasp-86623",
"created_at": "2022-09-04T14:36:11.104277Z",
"updated_at": "2022-09-04T14:36:11.104298Z",
"structure_string": "Mn2 V2 Bi2 O10\n1.0\n5.071001 0.015898 -1.672009\n-1.520523 6.324554 -2.366871\n-0.047162 -0.004790 6.978407\nMn V Bi O\n2 2 2 10\ndirect\n0.324567 0.361722 0.224961 Mn\n0.675434 0.638278 0.775039 Mn\n0.654958 0.182086 0.885163 V\n0.345043 0.817913 0.114838 V\n0.089288 0.758457 0.524713 Bi\n0.910712 0.241542 0.475287 Bi\n0.228600 0.649601 0.224797 O\n0.429321 0.086137 0.293957 O\n0.632548 0.757811 0.073480 O\n0.570679 0.913862 0.706043 O\n0.727929 0.500436 0.444630 O\n0.771400 0.350399 0.775203 O\n0.915725 0.217086 0.132916 O\n0.084276 0.782914 0.867084 O\n0.367453 0.242188 0.926520 O\n0.272071 0.499564 0.555370 O\n",
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{
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"created_at": "2022-09-04T14:38:30.441886Z",
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"structure_string": "Ca2 Ti2 P2 O10\n1.0\n5.535560 -0.049955 0.007733\n-1.527625 5.326572 0.005198\n-1.616541 -2.132598 6.441040\nCa Ti P O\n2 2 2 10\ndirect\n0.336749 0.167788 0.757262 Ca\n0.669219 0.833352 0.259377 Ca\n0.002961 0.500567 0.508367 Ti\n0.002974 0.500538 0.008367 Ti\n0.682235 0.821873 0.758440 P\n0.323693 0.179237 0.258265 P\n0.671283 0.610038 0.872968 O\n0.894976 0.832974 0.644336 O\n0.334664 0.391072 0.143739 O\n0.110942 0.168148 0.372360 O\n0.593887 0.239892 0.422038 O\n0.264362 0.908759 0.095585 O\n0.412036 0.761237 0.594686 O\n0.741569 0.092336 0.921141 O\n0.922001 0.581170 0.258421 O\n0.083934 0.419935 0.758301 O\n",
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{
"id": "jvasp-111769",
"created_at": "2022-09-04T14:38:52.874235Z",
"updated_at": "2022-09-04T14:38:52.874254Z",
"structure_string": "Ti2 Al2 Fe2 O10\n1.0\n5.078919 0.030070 0.000000\n-3.757430 3.417316 -0.000000\n0.000000 0.000000 9.598059\nTi Al Fe O\n2 2 2 10\ndirect\n0.125774 0.874228 0.059995 Ti\n0.874227 0.125774 0.559995 Ti\n0.803133 0.196868 0.253027 Al\n0.196868 0.803133 0.753027 Al\n0.856837 0.143163 0.937538 Fe\n0.143164 0.856838 0.437538 Fe\n0.687546 0.312455 0.422918 O\n0.316838 0.683164 0.577907 O\n0.683163 0.316838 0.077907 O\n0.312455 0.687546 0.922918 O\n0.952162 0.047838 0.379618 O\n0.058229 0.941773 0.617136 O\n0.941772 0.058229 0.117136 O\n0.047839 0.952163 0.879618 O\n0.247948 0.752053 0.251860 O\n0.752053 0.247948 0.751860 O\n",
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{
"id": "jvasp-9759",
"created_at": "2022-09-04T14:38:07.227473Z",
"updated_at": "2022-09-04T14:38:07.227491Z",
"structure_string": "Na2 Ta2 Ge2 O10\n1.0\n5.478068 -0.018586 -1.439663\n-1.916438 5.131943 -1.439663\n0.014384 0.020651 7.463387\nNa Ta Ge O\n2 2 2 10\ndirect\n0.673511 0.326488 0.250000 Na\n0.326488 0.673510 0.750000 Na\n-0.000000 -0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.682779 0.317219 0.750000 Ge\n0.317220 0.682779 0.250000 Ge\n0.066888 0.933110 0.750000 O\n0.933111 0.066888 0.250000 O\n0.103937 0.694295 0.387890 O\n0.305704 0.896061 0.112111 O\n0.896062 0.305704 0.612111 O\n0.694295 0.103937 0.887890 O\n0.366146 0.243971 0.585500 O\n0.756028 0.633853 0.914501 O\n0.633853 0.756028 0.414501 O\n0.243971 0.366146 0.085500 O\n",
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{
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"updated_at": "2022-09-04T14:37:07.673527Z",
"structure_string": "Mg2 Co2 Si2 O10\n1.0\n4.997891 -0.281086 0.146753\n-1.507835 5.174268 -0.047670\n-1.410011 -2.242407 6.058182\nMg Co Si O\n2 2 2 10\ndirect\n0.370271 0.215189 0.772055 Mg\n0.638228 0.774648 0.257045 Mg\n0.004248 0.494919 0.514554 Co\n0.004251 0.494923 0.014554 Co\n0.703536 0.819021 0.760867 Si\n0.304959 0.170819 0.268244 Si\n0.702634 0.632462 0.923986 O\n0.994928 0.851807 0.669019 O\n0.305866 0.357384 0.105122 O\n0.013570 0.138033 0.360088 O\n0.592786 0.289360 0.487845 O\n0.304416 0.865225 0.132074 O\n0.415708 0.700489 0.541266 O\n0.704086 0.124619 0.897036 O\n0.899975 0.555234 0.266335 O\n0.108524 0.434607 0.762773 O\n",
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{
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"created_at": "2022-09-04T14:37:15.774937Z",
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"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",
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{
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"created_at": "2022-09-04T14:37:16.164770Z",
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"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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"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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"formula_full": "Li2 V2 Ge2 O10",
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{
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"created_at": "2022-09-04T14:35:58.670737Z",
"updated_at": "2022-09-04T14:35:58.670768Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242110 0.018154 -0.832651\n-0.494071 6.775537 -2.004865\n0.006859 -0.022367 9.109070\nTi Tl P S\n2 2 2 10\ndirect\n0.502336 0.276917 0.000818 Ti\n0.497664 0.723082 0.999182 Ti\n0.725279 0.685059 0.450929 Tl\n0.274722 0.314940 0.549070 Tl\n0.277292 0.895436 0.729093 P\n0.722708 0.104564 0.270906 P\n0.155971 0.692602 0.826389 S\n0.332399 0.543734 0.132522 S\n0.397101 0.061706 0.175279 S\n0.602899 0.938293 0.824720 S\n0.159285 0.163871 0.831310 S\n0.772791 0.188061 0.501786 S\n0.667601 0.456265 0.867478 S\n0.227209 0.811938 0.498213 S\n0.840715 0.836128 0.168690 S\n0.844029 0.307397 0.173610 S\n",
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{
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"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,
"nelements": 4,
"elements": [
"V",
"Bi",
"Pb",
"O"
],
"chemical_system": "Bi-O-Pb-V",
"density": 7.117409943463033,
"density_atomic": 0.06267309652943116,
"volume": 255.29295480855063,
"volume_molar": 9.608813180583818,
"formula_full": "V2 Bi2 Pb2 O10",
"formula_reduced": "VBiPbO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.3128808525,
"spacegroup": 2
}
]
}