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{
"id": "jvasp-9978",
"created_at": "2022-09-04T14:37:13.440184Z",
"updated_at": "2022-09-04T14:37:13.440204Z",
"structure_string": "K4 C4 S4 N4\n1.0\n6.641258 0.000000 0.000000\n-0.000000 6.684884 0.000000\n0.000000 0.000000 7.385636\nK C S N\n4 4 4 4\ndirect\n0.750000 0.804761 0.500000 K\n0.250000 0.195238 0.000000 K\n0.250000 0.195238 0.500000 K\n0.750000 0.804761 0.000000 K\n0.712274 0.232408 0.250000 C\n0.787727 0.232408 0.750000 C\n0.287727 0.767591 0.750000 C\n0.212273 0.767591 0.250000 C\n0.890374 0.399428 0.250000 S\n0.609626 0.399428 0.750000 S\n0.390374 0.600572 0.250000 S\n0.109626 0.600572 0.750000 S\n0.082391 0.890221 0.250000 N\n0.417609 0.890221 0.750000 N\n0.582391 0.109779 0.250000 N\n0.917610 0.109779 0.750000 N\n",
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{
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"structure_string": "Tl8 Cu2 Te6\n1.0\n8.771332 0.022500 0.031850\n-4.358138 7.612058 -0.031850\n-4.358138 -2.573570 7.163880\nTl Cu Te\n8 2 6\ndirect\n0.205650 0.193362 0.693362 Tl\n0.500000 0.987711 0.193362 Tl\n0.500000 0.693362 0.487710 Tl\n0.205651 0.512290 0.012290 Tl\n0.794349 0.487710 0.987710 Tl\n0.500000 0.306638 0.512290 Tl\n0.500000 0.012290 0.806638 Tl\n0.794349 0.806638 0.306638 Tl\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.750000 0.750000 Te\n0.177450 0.838725 0.338725 Te\n0.500000 0.661276 0.838725 Te\n0.500000 0.338725 0.161275 Te\n0.822549 0.161275 0.661275 Te\n-0.000000 0.250000 0.250000 Te\n",
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{
"id": "jvasp-10332",
"created_at": "2022-09-04T14:37:20.190469Z",
"updated_at": "2022-09-04T14:37:20.190492Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n3.654276 -0.000000 0.000000\n-1.827137 4.809533 -0.000000\n0.000000 -0.000000 11.258094\nMg Mn O\n2 4 10\ndirect\n0.911419 0.822836 0.750000 Mg\n0.088582 0.177165 0.250000 Mg\n0.224816 0.449633 0.597185 Mn\n0.775185 0.550367 0.402813 Mn\n0.775185 0.550367 0.097186 Mn\n0.224816 0.449633 0.902814 Mn\n0.691873 0.383746 0.250000 O\n0.308128 0.616254 0.750000 O\n0.227071 0.454140 0.079442 O\n0.772931 0.545860 0.920558 O\n0.772931 0.545860 0.579442 O\n0.227071 0.454140 0.420557 O\n0.053512 0.107022 0.623315 O\n0.946488 0.892977 0.376684 O\n0.053512 0.107022 0.876684 O\n0.946488 0.892977 0.123316 O\n",
"nsites": 16,
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"volume": 197.86506636950512,
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"formula_full": "Mg2 Mn4 O10",
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{
"id": "jvasp-9087",
"created_at": "2022-09-04T14:37:32.847301Z",
"updated_at": "2022-09-04T14:37:32.847320Z",
"structure_string": "Cd8 Sb8\n1.0\n6.618534 -0.000000 0.000000\n0.000000 8.371657 0.000000\n0.000000 0.000000 8.666078\nCd Sb\n8 8\ndirect\n0.450024 0.122808 0.866656 Cd\n0.950024 0.377192 0.133344 Cd\n0.549975 0.622808 0.633344 Cd\n0.049976 0.877192 0.366656 Cd\n0.549975 0.877192 0.133344 Cd\n0.049976 0.622808 0.866656 Cd\n0.450024 0.377192 0.366656 Cd\n0.950024 0.122808 0.633344 Cd\n0.139408 0.074156 0.104181 Sb\n0.639408 0.425844 0.895820 Sb\n0.860592 0.574156 0.395820 Sb\n0.360592 0.925844 0.604181 Sb\n0.860592 0.925844 0.895820 Sb\n0.360592 0.574156 0.104181 Sb\n0.139408 0.425844 0.604181 Sb\n0.639408 0.074156 0.395820 Sb\n",
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{
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"created_at": "2022-09-04T14:37:31.910522Z",
"updated_at": "2022-09-04T14:37:31.910547Z",
"structure_string": "Zn8 As8\n1.0\n5.789104 -0.000000 0.000000\n0.000000 7.317375 0.000000\n0.000000 0.000000 7.629480\nZn As\n8 8\ndirect\n0.543675 0.617942 0.633473 Zn\n0.043676 0.882059 0.366527 Zn\n0.456324 0.117941 0.866527 Zn\n0.956324 0.382059 0.133473 Zn\n0.456324 0.382059 0.366527 Zn\n0.956324 0.117941 0.633473 Zn\n0.543675 0.882059 0.133473 Zn\n0.043676 0.617942 0.866527 Zn\n0.136586 0.074396 0.101960 As\n0.636586 0.425604 0.898040 As\n0.863413 0.574397 0.398040 As\n0.363413 0.925604 0.601960 As\n0.863413 0.925604 0.898040 As\n0.363413 0.574397 0.101960 As\n0.136586 0.425604 0.601960 As\n0.636586 0.074396 0.398040 As\n",
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{
"id": "jvasp-23332",
"created_at": "2022-09-04T14:37:33.931640Z",
"updated_at": "2022-09-04T14:37:33.931659Z",
"structure_string": "Ba2 Nb5 O9\n1.0\n4.225581 0.000000 0.000000\n0.000000 4.225581 0.000000\n0.000000 0.000000 12.382065\nBa Nb O\n2 5 9\ndirect\n0.000000 0.000000 0.831887 Ba\n0.000000 0.000000 0.168114 Ba\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.663429 Nb\n0.500000 0.500000 0.336572 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.838171 O\n0.500000 0.500000 0.161830 O\n0.000000 0.500000 0.672819 O\n0.500000 0.000000 0.672819 O\n0.000000 0.500000 0.327182 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.327182 O\n",
"nsites": 16,
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"formula_full": "Ba2 Nb5 O9",
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{
"id": "jvasp-21958",
"created_at": "2022-09-04T14:37:32.465394Z",
"updated_at": "2022-09-04T14:37:32.465417Z",
"structure_string": "Li4 Ca4 Ge8\n1.0\n3.934454 0.000000 0.000000\n0.000000 8.001940 0.000000\n0.000000 0.000000 10.679242\nLi Ca Ge\n4 4 8\ndirect\n0.250000 0.491631 0.110780 Li\n0.250000 0.991631 0.389219 Li\n0.749999 0.508369 0.889219 Li\n0.749999 0.008369 0.610780 Li\n0.749999 0.367605 0.364631 Ca\n0.250000 0.132395 0.864631 Ca\n0.250000 0.632395 0.635368 Ca\n0.749999 0.867605 0.135369 Ca\n0.250000 0.726474 0.937962 Ge\n0.250000 0.659493 0.319338 Ge\n0.749999 0.840507 0.819337 Ge\n0.250000 0.159493 0.180662 Ge\n0.749999 0.273526 0.062038 Ge\n0.250000 0.226474 0.562038 Ge\n0.749999 0.773526 0.437962 Ge\n0.749999 0.340507 0.680662 Ge\n",
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{
"id": "jvasp-9651",
"created_at": "2022-09-04T14:37:27.770675Z",
"updated_at": "2022-09-04T14:37:27.770695Z",
"structure_string": "Mg2 Sn4 O10\n1.0\n3.192731 0.010641 0.029719\n-0.015786 5.154502 -0.172287\n-0.116000 -0.456184 12.552460\nMg Sn O\n2 4 10\ndirect\n0.250614 0.860541 0.734619 Mg\n0.750607 0.140335 0.265594 Mg\n0.750502 0.404680 0.891485 Sn\n0.250562 0.596193 0.108733 Sn\n0.250652 0.618375 0.399425 Sn\n0.750657 0.382509 0.600793 Sn\n0.250613 0.383444 0.252117 O\n0.750599 0.617438 0.748102 O\n0.250532 0.654274 0.942524 O\n0.750528 0.346596 0.057695 O\n0.250661 0.642183 0.568858 O\n0.750628 0.358704 0.431361 O\n0.250650 0.146464 0.628255 O\n-0.249326 0.854422 0.371962 O\n0.750591 0.836085 0.155122 O\n0.250471 0.164786 0.845095 O\n",
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{
"id": "jvasp-11286",
"created_at": "2022-09-04T14:37:32.320093Z",
"updated_at": "2022-09-04T14:37:32.320109Z",
"structure_string": "Ca2 Ti4 S10\n1.0\n0.000000 6.106423 -0.000281\n4.127800 0.000000 0.000000\n0.000000 -0.000644 -14.650825\nCa Ti S\n2 4 10\ndirect\n0.101506 0.750000 0.750000 Ca\n0.898494 0.250000 0.250000 Ca\n0.576943 0.250000 0.902353 Ti\n0.423057 0.750000 0.097647 Ti\n0.423060 0.750000 0.402352 Ti\n0.576940 0.250000 0.597647 Ti\n0.562207 0.750000 0.250001 S\n0.437793 0.250000 0.749999 S\n0.387024 0.750000 0.927841 S\n0.612976 0.250000 0.072158 S\n0.387022 0.750000 0.572158 S\n0.612978 0.250000 0.427842 S\n0.924620 0.250000 0.629580 S\n0.075380 0.750000 0.370420 S\n0.075380 0.750000 0.129580 S\n0.924620 0.250000 0.870420 S\n",
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{
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"created_at": "2022-09-04T14:37:32.886458Z",
"updated_at": "2022-09-04T14:37:32.886475Z",
"structure_string": "Cu8 Br8\n1.0\n6.923995 0.000000 0.000000\n-0.000000 6.923995 0.000000\n0.000000 0.000000 6.923995\nCu Br\n8 8\ndirect\n0.616304 0.616304 0.616304 Cu\n0.883697 0.383697 0.116304 Cu\n0.116304 0.883697 0.383697 Cu\n0.383697 0.116304 0.883697 Cu\n0.383697 0.383697 0.383697 Cu\n0.116304 0.616304 0.883697 Cu\n0.883697 0.116304 0.616304 Cu\n0.616304 0.883697 0.116304 Cu\n0.158033 0.158033 0.158033 Br\n0.341968 0.841968 0.658033 Br\n0.658033 0.341968 0.841968 Br\n0.841968 0.658033 0.341968 Br\n0.841968 0.841968 0.841968 Br\n0.658033 0.158033 0.341968 Br\n0.341968 0.658033 0.158033 Br\n0.158033 0.341968 0.658033 Br\n",
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{
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{
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"created_at": "2022-09-04T14:37:33.395033Z",
"updated_at": "2022-09-04T14:37:33.395054Z",
"structure_string": "V10 Si6\n1.0\n3.570049 -6.183507 0.000000\n3.570049 6.183507 -0.000000\n-0.000000 0.000000 4.845394\nV Si\n10 6\ndirect\n0.243580 0.243580 0.749999 V\n0.756420 -0.000000 0.749999 V\n-0.000000 0.243581 0.250000 V\n0.333333 0.666667 0.500000 V\n-0.000000 0.756420 0.749999 V\n0.666667 0.333333 0.500000 V\n0.243581 -0.000000 0.250000 V\n0.333333 0.666667 0.000000 V\n0.756420 0.756420 0.250000 V\n0.666667 0.333333 0.000000 V\n0.394839 0.394839 0.250000 Si\n-0.000000 0.605162 0.250000 Si\n-0.000000 0.394839 0.749999 Si\n0.605162 -0.000000 0.250000 Si\n0.605162 0.605162 0.749999 Si\n0.394839 -0.000000 0.749999 Si\n",
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}
]
}