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{
"id": "jvasp-86405",
"created_at": "2022-09-04T14:36:00.527629Z",
"updated_at": "2022-09-04T14:36:00.527659Z",
"structure_string": "Ce2 Si4 Pt2\n1.0\n4.255667 0.000000 0.000000\n-0.000000 4.137884 -1.061761\n0.000000 0.008870 8.628511\nCe Si Pt\n2 4 2\ndirect\n0.250000 0.603084 0.206170 Ce\n0.750001 0.396915 0.793830 Ce\n0.250000 0.965396 0.930793 Si\n0.750001 0.034603 0.069207 Si\n0.750001 0.749245 0.498491 Si\n0.250000 0.250754 0.501509 Si\n0.750001 0.178977 0.357956 Pt\n0.250000 0.821021 0.642044 Pt\n",
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{
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"structure_string": "Pr2 Co2 Ge4\n1.0\n-0.000000 -0.000000 -4.263723\n-4.288861 -0.000000 -0.000000\n2.144430 8.335405 0.000000\nPr Co Ge\n2 2 4\ndirect\n0.749999 0.107962 0.215925 Pr\n0.250000 0.892037 0.784074 Pr\n0.749999 0.316100 0.632201 Co\n0.250000 0.683899 0.367799 Co\n0.749999 0.453907 0.907813 Ge\n0.250000 0.546093 0.092187 Ge\n0.749999 0.749861 0.499723 Ge\n0.250000 0.250139 0.500276 Ge\n",
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{
"id": "jvasp-90870",
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"updated_at": "2022-09-04T14:36:00.764689Z",
"structure_string": "Pr2 Mn2 Si4\n1.0\n0.000000 -0.000000 -4.013867\n-4.119194 0.000000 0.000000\n2.059597 8.857040 -0.000000\nPr Mn Si\n2 2 4\ndirect\n0.750001 0.102006 0.204011 Pr\n0.250000 0.897992 0.795989 Pr\n0.750001 0.750295 0.500592 Mn\n0.250000 0.249703 0.499408 Mn\n0.750001 0.319805 0.639611 Si\n0.250000 0.680194 0.360389 Si\n0.750001 0.463011 0.926025 Si\n0.250000 0.536987 0.073975 Si\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.05462936554647164,
"volume": 146.44138587321922,
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"formula_full": "Pr2 Mn2 Si4",
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{
"id": "jvasp-86794",
"created_at": "2022-09-04T14:36:00.892471Z",
"updated_at": "2022-09-04T14:36:00.892491Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392922 -0.000000 -0.582894\n0.000000 4.358576 0.000000\n-0.021888 0.000000 10.038834\nZr Ir\n4 4\ndirect\n0.695084 0.750001 0.390168 Zr\n0.438774 0.750001 0.877548 Zr\n0.304915 0.250000 0.609832 Zr\n0.561225 0.250000 0.122452 Zr\n0.056503 0.750001 0.113006 Ir\n0.831549 0.750001 0.663099 Ir\n0.943496 0.250000 0.886994 Ir\n0.168450 0.250000 0.336901 Ir\n",
"nsites": 8,
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"volume": 148.4017647733463,
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"formula_full": "Zr4 Ir4",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-42148",
"created_at": "2022-09-04T14:36:00.986483Z",
"updated_at": "2022-09-04T14:36:00.986512Z",
"structure_string": "Li2 V2 Ni2 O8\n1.0\n5.097519 0.008189 0.000000\n2.015791 4.682026 -0.000000\n0.000000 -0.000000 6.159695\nLi V Ni O\n2 2 2 8\ndirect\n0.335615 0.335615 0.750001 Li\n0.664385 0.664386 0.250000 Li\n0.352444 0.352445 0.250000 V\n0.647555 0.647556 0.750001 V\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.234983 0.234983 0.025379 O\n0.234983 0.234983 0.474621 O\n0.234307 0.731706 0.250000 O\n0.268296 0.765694 0.750001 O\n0.731705 0.234307 0.250000 O\n0.765693 0.268297 0.750001 O\n0.765017 0.765018 0.974621 O\n0.765017 0.765018 0.525380 O\n",
"nsites": 14,
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"elements": [
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"V",
"Ni",
"O"
],
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"density_atomic": 0.09529643075945299,
"volume": 146.91001424112898,
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"formula_full": "Li2 V2 Ni2 O8",
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"formula_anonymous": "ABCD4",
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{
"id": "jvasp-90687",
"created_at": "2022-09-04T14:36:00.879089Z",
"updated_at": "2022-09-04T14:36:00.879115Z",
"structure_string": "Li2 Sm2 Sn4\n1.0\n-4.465882 0.000000 -0.000000\n0.000000 0.000000 -4.499152\n2.232942 -9.486839 0.000000\nLi Sm Sn\n2 2 4\ndirect\n0.675359 0.750000 0.350719 Li\n0.324641 0.250000 0.649281 Li\n0.893097 0.750000 0.786193 Sm\n0.106903 0.250000 0.213807 Sm\n0.545170 0.750000 0.090340 Sn\n0.454830 0.250000 0.909660 Sn\n0.250594 0.750000 0.501188 Sn\n0.749406 0.250000 0.498812 Sn\n",
"nsites": 8,
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"elements": [
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"volume": 190.61603856770006,
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"formula_full": "Li2 Sm2 Sn4",
"formula_reduced": "LiSmSn2",
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"spacegroup": 63
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{
"id": "jvasp-91342",
"created_at": "2022-09-04T14:36:01.278543Z",
"updated_at": "2022-09-04T14:36:01.278569Z",
"structure_string": "Mo12 S6 Br12\n1.0\n6.658047 0.000000 0.000000\n-3.329023 8.732291 -0.000000\n0.000000 0.000000 12.046394\nMo S Br\n12 6 12\ndirect\n0.008617 0.847586 0.101367 Mo\n0.991384 0.152414 0.601367 Mo\n0.838971 0.847586 0.898632 Mo\n0.991384 0.152414 0.898632 Mo\n0.838971 0.847586 0.601367 Mo\n0.008617 0.847586 0.398633 Mo\n0.161030 0.152414 0.101367 Mo\n0.255660 0.000000 0.938753 Mo\n0.255660 0.000000 0.561246 Mo\n0.744340 0.000000 0.438754 Mo\n0.744340 0.000000 0.061246 Mo\n0.161030 0.152414 0.398633 Mo\n0.383460 0.000000 0.371211 S\n0.383460 0.000000 0.128788 S\n0.616541 0.000000 0.871211 S\n0.616541 0.000000 0.628788 S\n0.910710 0.000000 0.250000 S\n0.089290 0.000000 0.750000 S\n0.407276 0.302589 0.564739 Br\n0.614108 0.638304 0.750000 Br\n0.104686 0.697411 0.935260 Br\n0.975802 0.361696 0.750000 Br\n0.024199 0.638304 0.250000 Br\n0.407276 0.302589 0.935260 Br\n0.592725 0.697411 0.435260 Br\n0.895315 0.302589 0.064739 Br\n0.592725 0.697411 0.064739 Br\n0.104686 0.697411 0.564739 Br\n0.385893 0.361696 0.250000 Br\n0.895315 0.302589 0.435260 Br\n",
"nsites": 30,
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"elements": [
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"S",
"Br"
],
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"density": 5.4590869477215085,
"density_atomic": 0.04283404954699861,
"volume": 700.37739408886,
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"formula_full": "Mo12 S6 Br12",
"formula_reduced": "Mo2SBr2",
"formula_anonymous": "AB2C2",
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"spacegroup": 63
},
{
"id": "jvasp-91712",
"created_at": "2022-09-04T14:36:01.469709Z",
"updated_at": "2022-09-04T14:36:01.469723Z",
"structure_string": "Pr2 Ni2 Ge4\n1.0\n0.000000 -0.000000 -4.267670\n-4.293255 0.000000 0.000000\n2.146627 8.392600 -0.000000\nPr Ni Ge\n2 2 4\ndirect\n0.750000 0.107862 0.215725 Pr\n0.250000 0.892136 0.784274 Pr\n0.750000 0.317267 0.634535 Ni\n0.250000 0.682731 0.365465 Ni\n0.750000 0.456839 0.913680 Ge\n0.250000 0.543159 0.086320 Ge\n0.750000 0.749718 0.499438 Ge\n0.250000 0.250281 0.500562 Ge\n",
"nsites": 8,
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"density": 7.448595428539642,
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"volume": 153.77085850595273,
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"formula_full": "Pr2 Ni2 Ge4",
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{
"id": "jvasp-18783",
"created_at": "2022-09-04T14:36:01.409428Z",
"updated_at": "2022-09-04T14:36:01.409460Z",
"structure_string": "U2 Pt4\n1.0\n4.212739 0.000000 0.000000\n-2.106370 4.903733 0.000000\n0.000000 -0.000000 5.690546\nU Pt\n2 4\ndirect\n0.327268 0.654535 0.750001 U\n0.672732 0.345465 0.250000 U\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.634241 0.268483 0.750001 Pt\n0.365758 0.731517 0.250000 Pt\n",
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"density": 17.7471893033205,
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{
"id": "jvasp-97444",
"created_at": "2022-09-04T14:36:02.034275Z",
"updated_at": "2022-09-04T14:36:02.034305Z",
"structure_string": "Si8 O16\n1.0\n6.677961 -0.560825 0.000000\n-1.079132 6.614013 -0.000000\n-0.000000 0.000000 9.183742\nSi O\n8 16\ndirect\n0.680680 0.927810 0.415382 Si\n0.927811 0.680679 0.915382 Si\n0.319320 0.072189 0.915382 Si\n0.680680 0.927810 0.084618 Si\n0.319320 0.072189 0.584618 Si\n0.072189 0.319320 0.415382 Si\n0.927811 0.680679 0.584618 Si\n0.072189 0.319320 0.084618 Si\n0.500000 -0.000000 0.000000 O\n0.606996 0.859733 0.250000 O\n0.140266 0.393004 0.250000 O\n0.883546 0.116453 0.410641 O\n0.733556 0.733556 0.000000 O\n0.116454 0.883545 0.910641 O\n0.266444 0.266443 0.500000 O\n0.733556 0.733556 0.500000 O\n0.859734 0.606995 0.750000 O\n0.393004 0.140266 0.750000 O\n0.500000 -0.000000 0.500000 O\n0.883546 0.116453 0.089359 O\n0.116454 0.883545 0.589359 O\n0.266444 0.266443 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
"id": "jvasp-85416",
"created_at": "2022-09-04T14:36:01.658035Z",
"updated_at": "2022-09-04T14:36:01.658054Z",
"structure_string": "Ag8 S4\n1.0\n4.179946 0.000000 -0.662385\n0.000000 7.406305 0.000000\n0.088733 0.000000 7.969809\nAg S\n8 4\ndirect\n0.749992 0.499562 0.249821 Ag\n0.250008 0.500437 0.750179 Ag\n0.671295 0.749978 0.557122 Ag\n0.750009 -0.000437 0.250179 Ag\n0.249991 0.000437 0.749821 Ag\n0.328705 0.250022 0.442878 Ag\n0.171295 0.750021 0.057122 Ag\n0.828705 0.249978 0.942878 Ag\n0.585381 0.750520 0.861833 S\n0.914620 0.250521 0.638166 S\n0.414620 0.249479 0.138167 S\n0.085380 0.749479 0.361833 S\n",
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{
"id": "jvasp-14196",
"created_at": "2022-09-04T14:36:01.677724Z",
"updated_at": "2022-09-04T14:36:01.677740Z",
"structure_string": "Li2 Ce2 Sn4\n1.0\n4.376499 -0.000000 -1.076685\n-0.000000 4.545723 0.000000\n0.066864 -0.000000 9.704910\nLi Ce Sn\n2 2 4\ndirect\n0.676776 0.250000 0.353554 Li\n0.323223 0.749999 0.646447 Li\n0.106297 0.749999 0.212593 Ce\n0.893702 0.250000 0.787407 Ce\n0.749602 0.749999 0.499205 Sn\n0.250397 0.250000 0.500795 Sn\n0.545004 0.250000 0.090009 Sn\n0.454995 0.749999 0.909992 Sn\n",
"nsites": 8,
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"elements": [
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"volume": 193.4001505198336,
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"formula_full": "Li2 Ce2 Sn4",
"formula_reduced": "LiCeSn2",
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"spacegroup": 63
}
]
}