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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3373",
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"results": [
{
"id": "jvasp-13052",
"created_at": "2022-09-04T14:38:11.555374Z",
"updated_at": "2022-09-04T14:38:11.555400Z",
"structure_string": "Rb2 Mn2 Br6\n1.0\n3.715175 -6.434873 0.000000\n3.715175 6.434873 0.000000\n0.000000 0.000000 6.404964\nRb Mn Br\n2 2 6\ndirect\n0.333334 0.666668 0.750000 Rb\n0.666668 0.333334 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.666968 0.833484 0.250000 Br\n0.833484 0.666968 0.750000 Br\n0.833484 0.166517 0.750000 Br\n0.166517 0.833484 0.250000 Br\n0.166517 0.333033 0.250000 Br\n0.333033 0.166517 0.750000 Br\n",
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"formula_full": "Rb2 Mn2 Br6",
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{
"id": "jvasp-43031",
"created_at": "2022-09-04T14:38:14.370609Z",
"updated_at": "2022-09-04T14:38:14.370650Z",
"structure_string": "Mn6 O2 F10\n1.0\n0.000000 6.944502 0.001359\n3.214771 0.000000 0.000000\n0.000000 -3.472679 -9.953817\nMn O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.825779 0.500000 0.651569 Mn\n0.500000 0.500000 -0.000000 Mn\n0.649004 0.000000 0.298049 Mn\n0.350995 0.000000 0.701952 Mn\n0.174221 0.500000 0.348431 Mn\n0.406905 0.500000 0.813682 O\n0.593094 0.500000 0.186318 O\n0.974179 0.000000 0.339578 F\n0.277183 0.500000 0.554464 F\n0.722816 0.500000 0.445536 F\n0.365440 0.000000 0.339654 F\n0.931427 0.500000 0.862965 F\n0.025821 0.000000 0.660422 F\n0.303605 0.000000 0.999946 F\n0.634559 0.000000 0.660346 F\n0.696395 0.000000 0.000054 F\n0.068572 0.500000 0.137035 F\n",
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"volume": 222.2036299747574,
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"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
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"spacegroup": 65
},
{
"id": "jvasp-117798",
"created_at": "2022-09-04T14:38:48.585582Z",
"updated_at": "2022-09-04T14:38:48.585601Z",
"structure_string": "I1 Br3\n1.0\n5.822527 -0.632427 -0.213850\n4.891228 -4.552760 0.982686\n-0.174135 1.406470 -6.701782\nI Br\n1 3\ndirect\n0.138656 0.559634 0.528508 I\n0.746153 0.164438 0.935176 Br\n0.392374 0.699832 0.292265 Br\n0.926496 0.428119 0.729745 Br\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.122216822402153,
"density_atomic": 0.02708505698756472,
"volume": 147.68290876539334,
"volume_molar": 22.234181610785914,
"formula_full": "I1 Br3",
"formula_reduced": "IBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-107744",
"created_at": "2022-09-04T14:35:57.887994Z",
"updated_at": "2022-09-04T14:35:57.888003Z",
"structure_string": "Pr1 Y1 Mg2\n1.0\n3.816942 -0.000000 0.000000\n0.000000 3.816942 0.000000\n0.000000 -0.000000 7.698388\nPr Y Mg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.238606 Mg\n0.500000 0.500000 0.761394 Mg\n",
"nsites": 4,
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"elements": [
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"Y",
"Mg"
],
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"density": 4.122152635074687,
"density_atomic": 0.03566391976424891,
"volume": 112.15817067897784,
"volume_molar": 16.885807280322734,
"formula_full": "Pr1 Y1 Mg2",
"formula_reduced": "PrYMg2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-101473",
"created_at": "2022-09-04T14:36:36.994011Z",
"updated_at": "2022-09-04T14:36:36.994032Z",
"structure_string": "Mg1 Al2 Sb2\n1.0\n4.746704 -0.000000 0.000000\n-2.373352 4.110766 -0.000000\n0.000000 -0.000000 6.643250\nMg Al Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.345700 Al\n0.333333 0.666668 0.654300 Al\n0.666667 0.333333 0.770928 Sb\n0.333333 0.666668 0.229072 Sb\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.122147651710245,
"density_atomic": 0.03857220816987007,
"volume": 129.62700963295256,
"volume_molar": 15.612641966150326,
"formula_full": "Mg1 Al2 Sb2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-14961",
"created_at": "2022-09-04T14:35:46.631746Z",
"updated_at": "2022-09-04T14:35:46.631778Z",
"structure_string": "Y1 Si2\n1.0\n2.062273 -3.571962 -0.000000\n2.062273 3.571962 0.000000\n-0.000000 0.000000 3.966830\nY Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.666666 0.333332 0.500000 Si\n0.333332 0.666666 0.500000 Si\n",
"nsites": 3,
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"elements": [
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"volume": 58.4422019422242,
"volume_molar": 11.731572214013987,
"formula_full": "Y1 Si2",
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"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-89379",
"created_at": "2022-09-04T14:35:49.463854Z",
"updated_at": "2022-09-04T14:35:49.463879Z",
"structure_string": "Rb2 Ni4 F12\n1.0\n6.189617 0.000000 3.519926\n2.160913 5.870080 3.402172\n0.047664 0.175646 7.118218\nRb Ni F\n2 4 12\ndirect\n0.374923 0.875077 0.375077 Rb\n0.625077 0.124924 0.624924 Rb\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n-0.000001 0.500000 0.500000 Ni\n0.926257 0.823767 0.926198 F\n0.676220 0.176234 0.073803 F\n0.926270 0.823730 0.323730 F\n0.926257 0.426197 0.323767 F\n0.323777 0.426223 0.926223 F\n0.323780 0.426197 0.323767 F\n0.073742 0.573803 0.676234 F\n0.323779 0.823767 0.926198 F\n0.073742 0.176234 0.073803 F\n0.676220 0.573803 0.676234 F\n0.676222 0.573778 0.073778 F\n0.073729 0.176270 0.676270 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Ni",
"F"
],
"chemical_system": "F-Ni-Rb",
"density": 4.121971135794305,
"density_atomic": 0.07051012325741442,
"volume": 255.28249233498863,
"volume_molar": 8.540817235582903,
"formula_full": "Rb2 Ni4 F12",
"formula_reduced": "RbNi2F6",
"formula_anonymous": "AB2C6",
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"spacegroup": 227
},
{
"id": "jvasp-36197",
"created_at": "2022-09-04T14:37:28.119881Z",
"updated_at": "2022-09-04T14:37:28.119901Z",
"structure_string": "B2 As1 P1\n1.0\n3.310029 0.000000 0.000000\n0.000000 3.310029 0.000000\n-0.000000 -0.000000 4.688940\nB As P\n2 1 1\ndirect\n0.500000 0.000000 0.763424 B\n0.000000 0.500000 0.236576 B\n0.000000 0.000000 0.500000 As\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
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"elements": [
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"As",
"P"
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"density": 4.121735740853173,
"density_atomic": 0.07786131214200785,
"volume": 51.3733957206446,
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"formula_full": "B2 As1 P1",
"formula_reduced": "B2AsP",
"formula_anonymous": "ABC2",
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"spacegroup": 115
},
{
"id": "jvasp-117645",
"created_at": "2022-09-04T14:38:50.160465Z",
"updated_at": "2022-09-04T14:38:50.160493Z",
"structure_string": "Na2 Ag1 As1\n1.0\n-1.587486 2.574640 5.637510\n1.587486 -2.574640 5.637510\n1.587486 2.574640 -5.637510\nNa Ag As\n2 1 1\ndirect\n0.751018 0.751018 0.000000 Na\n0.248981 0.248981 0.000000 Na\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"volume": 92.1666352243502,
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},
{
"id": "jvasp-49631",
"created_at": "2022-09-04T14:36:42.647820Z",
"updated_at": "2022-09-04T14:36:42.647846Z",
"structure_string": "Mg4 Sb4 F20\n1.0\n0.000000 5.607307 0.028622\n10.070110 0.000000 0.000000\n0.000000 -4.020165 -6.900382\nMg Sb F\n4 4 20\ndirect\n0.470083 0.026358 0.189150 Mg\n0.529917 0.526358 0.310850 Mg\n0.529916 0.973642 0.810850 Mg\n0.470083 0.473642 0.689150 Mg\n0.052122 0.777933 0.327783 Sb\n0.947878 0.277933 0.172217 Sb\n0.947878 0.222067 0.672217 Sb\n0.052122 0.722067 0.827783 Sb\n0.195575 0.082459 0.651759 F\n0.161800 0.155006 0.054575 F\n0.838200 0.655006 0.445425 F\n0.691579 0.176565 0.385007 F\n0.161799 0.344994 0.554575 F\n0.308422 0.676565 0.114993 F\n0.804424 0.582459 0.848240 F\n0.838200 0.844994 0.945425 F\n0.804425 0.917541 0.348241 F\n0.644753 0.100498 0.037253 F\n0.355246 0.899502 0.962747 F\n0.644753 0.399502 0.537253 F\n0.691578 0.323435 0.885007 F\n0.355247 0.600498 0.462747 F\n0.282443 0.560588 0.811991 F\n0.717556 0.060588 0.688009 F\n0.717557 0.439412 0.188009 F\n0.282443 0.939412 0.311991 F\n0.195576 0.417541 0.151760 F\n0.308421 0.823435 0.614993 F\n",
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},
{
"id": "jvasp-121041",
"created_at": "2022-09-04T14:38:51.886247Z",
"updated_at": "2022-09-04T14:38:51.886266Z",
"structure_string": "Sr1 Sn1 F1\n1.0\n5.184284 -0.012892 0.000000\n0.011518 4.786761 0.000000\n0.000000 0.000000 3.658276\nSr Sn F\n1 1 1\ndirect\n-0.083748 0.420025 0.000000 Sr\n0.416316 -0.079992 0.000000 Sn\n-0.083649 -0.079984 0.000000 F\n",
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},
{
"id": "jvasp-100593",
"created_at": "2022-09-04T14:36:32.593931Z",
"updated_at": "2022-09-04T14:36:32.593957Z",
"structure_string": "Ni2 S4\n1.0\n5.324700 0.000000 0.000000\n0.000000 3.441581 1.788702\n0.000000 0.028729 5.415955\nNi S\n2 4\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n0.116519 0.662364 0.824705 S\n0.383481 0.662364 0.324704 S\n0.883481 0.337636 0.175296 S\n0.616519 0.337636 0.675296 S\n",
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}
]
}