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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=933",
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"results": [
{
"id": "jvasp-113025",
"created_at": "2022-09-04T14:38:45.937549Z",
"updated_at": "2022-09-04T14:38:45.937571Z",
"structure_string": "Dy16 Mg4 Ni4\n1.0\n8.249445 -0.000000 4.762819\n2.749815 7.777651 4.762819\n-0.000000 -0.000000 9.525638\nDy Mg Ni\n16 4 4\ndirect\n0.346046 0.346046 0.346047 Dy\n0.934304 0.934305 0.565695 Dy\n0.565694 0.565694 0.934306 Dy\n0.934305 0.565694 0.934306 Dy\n0.565694 0.934305 0.565695 Dy\n0.934305 0.565694 0.565695 Dy\n0.812522 0.812523 0.187478 Dy\n0.187477 0.187477 0.812523 Dy\n0.565694 0.934305 0.934306 Dy\n0.187476 0.812523 0.187477 Dy\n0.187476 0.812523 0.812524 Dy\n0.812523 0.187477 0.187477 Dy\n0.961859 0.346046 0.346047 Dy\n0.346046 0.961859 0.346047 Dy\n0.346046 0.346046 0.961860 Dy\n0.812523 0.187477 0.812524 Dy\n0.579621 0.579622 0.579623 Mg\n0.579621 0.579622 0.261135 Mg\n0.579622 0.261135 0.579622 Mg\n0.261134 0.579622 0.579623 Mg\n0.142003 0.573992 0.142003 Ni\n0.142003 0.142003 0.142003 Ni\n0.142003 0.142003 0.573992 Ni\n0.573991 0.142003 0.142003 Ni\n",
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{
"id": "jvasp-107384",
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"updated_at": "2022-09-04T14:38:45.902216Z",
"structure_string": "Co4 O4\n1.0\n4.066605 -0.002801 1.814819\n0.812784 3.984566 -1.814871\n0.002637 -0.003196 5.456258\nCo O\n4 4\ndirect\n0.000028 -0.000026 -0.000011 Co\n0.250027 0.249972 0.499988 Co\n0.500033 0.499976 -0.000012 Co\n0.750026 0.749968 0.499988 Co\n0.874989 0.125031 0.750009 O\n0.124973 0.375015 0.250012 O\n0.374964 0.625029 0.750013 O\n0.624965 0.875039 0.250016 O\n",
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"spacegroup": 216
},
{
"id": "jvasp-115607",
"created_at": "2022-09-04T14:38:45.503820Z",
"updated_at": "2022-09-04T14:38:45.503836Z",
"structure_string": "Ba1 Te1 Pd1\n1.0\n0.000000 3.592167 3.592167\n3.592167 0.000000 3.592167\n3.592167 3.592167 0.000000\nBa Te Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Te\n0.750000 0.750000 0.750000 Pd\n",
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"elements": [
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"Te",
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],
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"density_atomic": 0.032360982794842966,
"volume": 92.70423024600103,
"volume_molar": 18.60926411962892,
"formula_full": "Ba1 Te1 Pd1",
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"formula_anonymous": "ABC",
"energy_above_hull": 0.3411564788888888,
"spacegroup": 216
},
{
"id": "jvasp-115122",
"created_at": "2022-09-04T14:38:45.210400Z",
"updated_at": "2022-09-04T14:38:45.210428Z",
"structure_string": "Al1 Ge1 H1\n1.0\n-0.000000 2.920470 2.920470\n2.920470 0.000000 2.920470\n2.920470 2.920470 -0.000000\nAl Ge H\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ge\n0.499999 0.499999 0.499999 H\n",
"nsites": 3,
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"elements": [
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"H"
],
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"density": 3.35417776834036,
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"volume": 49.81822431837564,
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"formula_full": "Al1 Ge1 H1",
"formula_reduced": "AlGeH",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-116713",
"created_at": "2022-09-04T14:38:45.038964Z",
"updated_at": "2022-09-04T14:38:45.038991Z",
"structure_string": "Al5 O8\n1.0\n4.877100 -0.000000 2.815795\n1.625700 4.598174 2.815795\n-0.000000 -0.000000 5.631590\nAl O\n5 8\ndirect\n0.616402 0.127866 0.127866 Al\n0.127866 0.616401 0.127867 Al\n0.127866 0.127866 0.616402 Al\n0.127866 0.127866 0.127866 Al\n0.750000 0.749999 0.750002 Al\n0.350520 0.883159 0.883161 O\n0.883160 0.350519 0.883161 O\n0.883160 0.883159 0.350522 O\n0.883160 0.883159 0.883162 O\n0.914026 0.361991 0.361992 O\n0.361991 0.914025 0.361992 O\n0.361991 0.361991 0.914026 O\n0.361991 0.361991 0.361992 O\n",
"nsites": 13,
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"elements": [
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"formula_full": "Al5 O8",
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"formula_anonymous": "A5B8",
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},
{
"id": "jvasp-116779",
"created_at": "2022-09-04T14:38:44.719130Z",
"updated_at": "2022-09-04T14:38:44.719154Z",
"structure_string": "V4 Fe2 O8\n1.0\n5.839958 0.004319 -0.023110\n-2.934641 4.080409 -2.893350\n0.023666 -0.011355 5.824693\nV Fe O\n4 2 8\ndirect\n-0.005265 0.489363 0.982889 V\n0.994869 0.489646 0.506439 V\n-0.005719 0.010355 0.505224 V\n0.515750 0.010073 0.505074 V\n0.624555 0.748937 0.874516 Fe\n0.375853 0.251564 0.125883 Fe\n0.239979 0.496509 0.748165 O\n0.237457 0.511494 0.255681 O\n0.244046 0.988225 0.726437 O\n0.243994 0.988042 0.261779 O\n0.751972 0.004026 0.260247 O\n0.751817 0.003818 0.743745 O\n0.774199 0.511675 0.255810 O\n0.756506 0.496285 0.748109 O\n",
"nsites": 14,
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"elements": [
"V",
"Fe",
"O"
],
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"density": 5.309752973960235,
"density_atomic": 0.10095025506638466,
"volume": 138.68216569431777,
"volume_molar": 5.965453733663034,
"formula_full": "V4 Fe2 O8",
"formula_reduced": "V2FeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.277385414285714,
"spacegroup": 216
},
{
"id": "jvasp-113027",
"created_at": "2022-09-04T14:38:44.331615Z",
"updated_at": "2022-09-04T14:38:44.331640Z",
"structure_string": "Er16 Mg4 Ni4\n1.0\n8.182003 -0.000000 4.723882\n2.727334 7.714066 4.723882\n-0.000000 -0.000000 9.447763\nEr Mg Ni\n16 4 4\ndirect\n0.184260 0.815740 0.815739 Er\n0.062846 0.062847 0.437153 Er\n0.437153 0.437154 0.062846 Er\n0.062846 0.437154 0.062846 Er\n0.437153 0.062847 0.437153 Er\n0.062846 0.437154 0.437153 Er\n0.211972 0.596009 0.596009 Er\n0.596009 0.211973 0.596009 Er\n0.437153 0.062847 0.062846 Er\n0.596009 0.596009 0.596009 Er\n0.184261 0.184261 0.815739 Er\n0.815738 0.815740 0.184261 Er\n0.184260 0.815740 0.184261 Er\n0.815739 0.184261 0.815739 Er\n0.815739 0.184261 0.184261 Er\n0.596009 0.596009 0.211972 Er\n0.829697 0.829698 0.829697 Mg\n0.829697 0.829698 0.510906 Mg\n0.829697 0.510907 0.829697 Mg\n0.510906 0.829698 0.829697 Mg\n0.391913 0.824259 0.391913 Ni\n0.391913 0.391914 0.391913 Ni\n0.391913 0.391914 0.824259 Ni\n0.824258 0.391914 0.391913 Ni\n",
"nsites": 24,
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"elements": [
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"Mg",
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],
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"density": 8.376735847252407,
"density_atomic": 0.04024753314390263,
"volume": 596.3098387717192,
"volume_molar": 14.962757440234162,
"formula_full": "Er16 Mg4 Ni4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-105457",
"created_at": "2022-09-04T14:38:44.544424Z",
"updated_at": "2022-09-04T14:38:44.544457Z",
"structure_string": "Li2 Ge1 Pd1\n1.0\n3.714423 -0.000000 2.144523\n1.238141 3.501991 2.144523\n-0.000000 -0.000000 4.289046\nLi Ge Pd\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.749999 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
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"Pd"
],
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"density_atomic": 0.07169566573598547,
"volume": 55.79137816684392,
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"formula_full": "Li2 Ge1 Pd1",
"formula_reduced": "Li2GePd",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-115562",
"created_at": "2022-09-04T14:38:44.255307Z",
"updated_at": "2022-09-04T14:38:44.255338Z",
"structure_string": "Ba1 W1 Cl1\n1.0\n0.000000 3.931451 3.931451\n3.931451 -0.000000 3.931451\n3.931451 3.931451 0.000000\nBa W Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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],
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"formula_full": "Ba1 W1 Cl1",
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"spacegroup": 216
},
{
"id": "jvasp-113023",
"created_at": "2022-09-04T14:38:44.243137Z",
"updated_at": "2022-09-04T14:38:44.243155Z",
"structure_string": "Ho16 Mg4 Rh4\n1.0\n8.297116 -0.000000 4.790342\n2.765705 7.822596 4.790342\n-0.000000 -0.000000 9.580684\nHo Mg Rh\n16 4 4\ndirect\n0.812444 0.187557 0.187556 Ho\n0.958568 0.347144 0.347143 Ho\n0.347145 0.958568 0.347143 Ho\n0.347145 0.347144 0.958566 Ho\n0.347145 0.347144 0.347144 Ho\n0.565310 0.565310 0.934689 Ho\n0.934691 0.565310 0.934689 Ho\n0.565311 0.934691 0.565309 Ho\n0.934691 0.934691 0.565309 Ho\n0.934691 0.565310 0.565309 Ho\n0.812444 0.812444 0.187555 Ho\n0.187557 0.187557 0.812443 Ho\n0.812444 0.187557 0.812443 Ho\n0.187557 0.812444 0.187556 Ho\n0.187557 0.812444 0.812443 Ho\n0.565311 0.934691 0.934689 Ho\n0.579889 0.579889 0.579888 Mg\n0.579889 0.579889 0.260334 Mg\n0.579889 0.260335 0.579888 Mg\n0.260335 0.579889 0.579888 Mg\n0.141836 0.574494 0.141835 Rh\n0.141835 0.141835 0.141835 Rh\n0.141835 0.141835 0.574494 Rh\n0.574494 0.141835 0.141835 Rh\n",
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],
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"volume": 621.8341650401632,
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{
"id": "jvasp-116706",
"created_at": "2022-09-04T14:38:43.998609Z",
"updated_at": "2022-09-04T14:38:43.998625Z",
"structure_string": "Cr4 In1 Ag1 Se8\n1.0\n6.619830 0.000000 3.821961\n2.206610 6.241236 3.821961\n-0.000000 -0.000000 7.643921\nCr In Ag Se\n4 1 1 8\ndirect\n0.379082 0.379082 0.379082 Cr\n0.379082 0.862754 0.379081 Cr\n0.862753 0.379082 0.379082 Cr\n0.379082 0.379082 0.862753 Cr\n0.000000 0.000000 0.000000 In\n0.750000 0.750001 0.750000 Ag\n0.140307 0.140307 0.140307 Se\n0.140307 0.579077 0.140307 Se\n0.579077 0.140307 0.140307 Se\n0.140307 0.140307 0.579077 Se\n0.610986 0.610986 0.610985 Se\n0.610986 0.167044 0.610985 Se\n0.167044 0.610986 0.610985 Se\n0.610986 0.610986 0.167044 Se\n",
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],
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{
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"created_at": "2022-09-04T14:38:43.966114Z",
"updated_at": "2022-09-04T14:38:43.966130Z",
"structure_string": "Fe22 B6 W1\n1.0\n6.344248 -0.000000 3.662854\n-4.229499 5.981415 0.000000\n-0.000000 -0.000000 7.325707\nFe B W\n22 6 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.250000 0.250000 Fe\n0.231605 0.615802 0.615803 Fe\n0.768395 0.152592 0.615802 Fe\n0.768394 0.615802 0.615802 Fe\n0.231605 0.615802 0.152592 Fe\n0.751336 0.375668 0.375668 Fe\n0.248663 0.872995 0.375668 Fe\n0.751336 0.375668 0.872996 Fe\n0.339059 0.338140 0.000919 Fe\n0.339059 0.000919 0.000919 Fe\n0.248664 0.375668 0.375668 Fe\n0.660941 0.660021 0.000919 Fe\n0.001838 0.000919 0.660022 Fe\n0.001838 0.000919 0.338140 Fe\n0.339059 0.000919 0.660022 Fe\n-0.001838 0.338140 0.000919 Fe\n0.339059 0.338140 0.660022 Fe\n0.660941 0.000919 0.338140 Fe\n-0.001838 0.660021 0.000920 Fe\n0.660941 0.660021 0.338140 Fe\n0.660941 0.000919 0.000919 Fe\n-0.000001 0.724898 0.275101 B\n0.550203 0.275101 0.724899 B\n-0.000001 0.724898 0.724899 B\n-0.000000 0.275101 0.724899 B\n0.449796 0.724898 0.275101 B\n-0.000000 0.275101 0.275101 B\n0.500000 0.749999 0.750000 W\n",
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],
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}
]
}