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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3603",
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"results": [
{
"id": "jvasp-117299",
"created_at": "2022-09-04T14:38:26.282385Z",
"updated_at": "2022-09-04T14:38:26.282415Z",
"structure_string": "V6 P4 O16\n1.0\n4.795312 -0.001271 0.001133\n0.002797 10.469248 -0.232397\n-0.001441 -0.054672 6.004214\nV P O\n6 4 16\ndirect\n0.989330 0.274638 0.245699 V\n0.010670 0.725364 0.754303 V\n0.489329 0.225364 0.754309 V\n0.500001 0.500002 0.500003 V\n0.000000 -0.000000 0.499997 V\n0.510672 0.774635 0.245686 V\n0.924946 0.404637 0.751680 P\n0.575053 0.904634 0.751667 P\n0.075057 0.595365 0.248322 P\n0.424946 0.095366 0.248327 P\n0.755852 0.602119 0.268891 O\n0.267957 0.161882 0.459475 O\n0.232046 0.661884 0.459470 O\n0.244150 0.397881 0.731107 O\n0.255848 0.897880 0.731097 O\n0.744149 0.102123 0.268893 O\n0.686174 0.043663 0.744932 O\n0.694135 0.829356 0.947565 O\n0.186178 0.456336 0.255068 O\n0.313835 0.956337 0.255067 O\n0.805857 0.329362 0.947582 O\n0.732043 0.838117 0.540519 O\n0.305854 0.170640 0.052429 O\n0.194144 0.670639 0.052420 O\n0.813827 0.543665 0.744937 O\n0.767954 0.338118 0.540531 O\n",
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{
"id": "jvasp-105638",
"created_at": "2022-09-04T14:36:06.220246Z",
"updated_at": "2022-09-04T14:36:06.220272Z",
"structure_string": "K2 Ag1 Au1 Cl6\n1.0\n6.219409 0.000000 3.590777\n2.073136 5.863716 3.590777\n0.000000 0.000000 7.181555\nK Ag Au Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751589 0.248412 0.248412 Cl\n0.248412 0.248412 0.751589 Cl\n0.248412 0.751589 0.751589 Cl\n0.248412 0.751589 0.248412 Cl\n0.751589 0.248412 0.751589 Cl\n0.751589 0.751589 0.248412 Cl\n",
"nsites": 10,
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"Cl"
],
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"density": 3.7772188825593145,
"density_atomic": 0.038182069480232984,
"volume": 261.90303815713924,
"volume_molar": 15.772169612539438,
"formula_full": "K2 Ag1 Au1 Cl6",
"formula_reduced": "K2AgAuCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-59184",
"created_at": "2022-09-04T14:38:08.883968Z",
"updated_at": "2022-09-04T14:38:08.883979Z",
"structure_string": "Cr4 P4 O16\n1.0\n4.699090 0.000000 0.000000\n-0.000000 5.628219 0.000000\n0.000000 0.000000 9.772233\nCr P O\n4 4 16\ndirect\n0.444743 0.750000 0.768977 Cr\n0.944743 0.250000 0.731022 Cr\n0.055257 0.750000 0.268977 Cr\n0.555257 0.250000 0.231022 Cr\n0.617523 0.750000 0.086202 P\n0.117523 0.250000 0.413798 P\n0.882477 0.750000 0.586202 P\n0.382477 0.250000 0.913798 P\n0.201408 0.750000 0.610828 O\n0.681756 0.750000 0.934151 O\n0.818244 0.750000 0.434151 O\n0.798592 0.250000 0.389171 O\n0.727850 0.537491 0.663950 O\n0.272150 0.462509 0.336050 O\n0.772150 0.537491 0.163950 O\n0.227850 0.462509 0.836050 O\n0.298592 0.750000 0.110828 O\n0.318244 0.250000 0.065849 O\n0.727850 0.962509 0.663950 O\n0.227850 0.037491 0.836050 O\n0.701409 0.250000 0.889171 O\n0.181756 0.250000 0.565849 O\n0.772150 0.962509 0.163950 O\n0.272150 0.037491 0.336050 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cr-O-P",
"density": 3.777041171514297,
"density_atomic": 0.09286085487018161,
"volume": 258.4512067388537,
"volume_molar": 6.485123110721823,
"formula_full": "Cr4 P4 O16",
"formula_reduced": "CrPO4",
"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-36895",
"created_at": "2022-09-04T14:37:16.080609Z",
"updated_at": "2022-09-04T14:37:16.080629Z",
"structure_string": "Rb1 Ag1 Cl3\n1.0\n5.088529 -0.002154 -0.001077\n0.001792 5.088642 -0.003277\n0.000875 0.002347 5.088713\nRb Ag Cl\n1 1 3\ndirect\n0.999999 0.998036 0.011850 Rb\n0.500005 0.497987 0.512046 Ag\n-0.000003 0.498074 0.511998 Cl\n0.500042 0.497912 0.012046 Cl\n0.499959 0.997994 0.512054 Cl\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.7768198989154356,
"density_atomic": 0.03794614702330327,
"volume": 131.76568353380986,
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"formula_full": "Rb1 Ag1 Cl3",
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},
{
"id": "jvasp-69846",
"created_at": "2022-09-04T14:35:58.049767Z",
"updated_at": "2022-09-04T14:35:58.049792Z",
"structure_string": "Be1 Co1 Br4\n1.0\n-0.000000 4.400255 4.400255\n4.400255 0.000000 4.400255\n4.400255 4.400255 0.000000\nBe Co Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Co\n0.125461 0.624847 0.624847 Br\n0.624847 0.624847 0.624847 Br\n0.624847 0.125461 0.624847 Br\n0.624847 0.624847 0.125461 Br\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Be-Br-Co",
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"density_atomic": 0.03521175889301041,
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"formula_full": "Be1 Co1 Br4",
"formula_reduced": "BeCoBr4",
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"spacegroup": 216
},
{
"id": "jvasp-111135",
"created_at": "2022-09-04T14:38:46.888024Z",
"updated_at": "2022-09-04T14:38:46.888039Z",
"structure_string": "Mn1 Cu2 Cl4\n1.0\n6.339119 -0.243532 0.000000\n-2.250311 5.931260 0.000000\n0.000000 -0.000000 3.843059\nMn Cu Cl\n1 2 4\ndirect\n0.221329 0.221329 -0.000000 Mn\n0.875083 0.561710 0.500000 Cu\n0.561710 0.875083 0.500000 Cu\n0.000129 0.462086 -0.000000 Cl\n0.473669 0.473669 0.500000 Cl\n-0.024005 -0.024005 0.500000 Cl\n0.462086 0.000129 -0.000000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Mn",
"density": 3.7766439731591883,
"density_atomic": 0.049161118440445156,
"volume": 142.38894927665146,
"volume_molar": 12.24980421732136,
"formula_full": "Mn1 Cu2 Cl4",
"formula_reduced": "Mn(CuCl2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 38
},
{
"id": "jvasp-21961",
"created_at": "2022-09-04T14:37:32.366706Z",
"updated_at": "2022-09-04T14:37:32.366731Z",
"structure_string": "Rb2 Na1 Y1 F6\n1.0\n5.431934 -0.000000 3.136129\n1.810645 5.121277 3.136129\n-0.000000 -0.000000 6.272257\nRb Na Y F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.244780 0.755220 0.755220 F\n0.244780 0.755220 0.244781 F\n0.755218 0.244781 0.755220 F\n0.244780 0.244781 0.755220 F\n0.755218 0.244781 0.244781 F\n0.755218 0.755220 0.244782 F\n",
"nsites": 10,
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"elements": [
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"Y",
"F"
],
"chemical_system": "F-Na-Rb-Y",
"density": 3.776485725721937,
"density_atomic": 0.0573117149392392,
"volume": 174.48439661248685,
"volume_molar": 10.507695968240629,
"formula_full": "Rb2 Na1 Y1 F6",
"formula_reduced": "Rb2NaYF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-27665",
"created_at": "2022-09-04T14:37:28.431548Z",
"updated_at": "2022-09-04T14:37:28.431567Z",
"structure_string": "Ca4 Cr6 O16\n1.0\n2.976835 -5.156030 -0.000000\n2.976835 5.156030 -0.000000\n0.000000 -0.000000 10.432794\nCa Cr O\n4 6 16\ndirect\n0.666666 0.333332 0.977254 Ca\n0.333332 0.666666 0.477254 Ca\n0.666666 0.333332 0.567263 Ca\n0.333332 0.666666 0.067263 Ca\n0.163266 0.326533 0.754756 Cr\n0.836733 0.163266 0.254756 Cr\n0.326533 0.163266 0.254756 Cr\n0.836732 0.673465 0.254756 Cr\n0.673465 0.836732 0.754756 Cr\n0.163266 0.836733 0.754756 Cr\n0.476673 0.523326 0.653782 O\n0.953347 0.476672 0.153782 O\n0.333332 0.666666 0.853153 O\n0.000000 0.000000 0.156022 O\n0.000000 0.000000 0.656022 O\n0.523326 0.476673 0.153782 O\n0.046652 0.523326 0.653782 O\n0.155272 0.844726 0.342397 O\n0.155273 0.310547 0.342397 O\n0.310547 0.155273 0.842397 O\n0.844726 0.155272 0.842397 O\n0.476672 0.953347 0.653782 O\n0.689451 0.844726 0.342397 O\n0.844726 0.689451 0.842397 O\n0.523326 0.046652 0.153782 O\n0.666666 0.333332 0.353153 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "Ca-Cr-O",
"density": 3.7761223553816206,
"density_atomic": 0.0811843880343502,
"volume": 320.2586190463005,
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"formula_full": "Ca4 Cr6 O16",
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},
{
"id": "jvasp-119177",
"created_at": "2022-09-04T14:38:36.253946Z",
"updated_at": "2022-09-04T14:38:36.253961Z",
"structure_string": "K1 Fe4 Si3 O12\n1.0\n5.210468 -0.020180 -0.468415\n-2.683587 4.502681 -0.403539\n0.100037 0.126158 10.095565\nK Fe Si O\n1 4 3 12\ndirect\n0.501715 0.512238 0.008407 K\n0.990153 0.986422 0.497829 Fe\n0.657104 0.345286 0.496158 Fe\n0.380869 0.660778 0.510434 Fe\n0.091119 0.766286 0.777513 Fe\n0.770188 0.105090 0.782844 Si\n0.899991 0.241732 0.228859 Si\n0.234399 0.911684 0.228468 Si\n0.727162 0.060315 0.610405 O\n0.010844 0.689205 0.586951 O\n0.652346 0.631362 0.390490 O\n0.351832 0.320748 0.588129 O\n0.548015 0.053874 0.164088 O\n0.053180 0.063367 0.166263 O\n0.471825 0.835055 0.828396 O\n0.813697 0.422205 0.840632 O\n0.947277 0.281876 0.391862 O\n0.056970 0.085951 0.841555 O\n0.046264 0.559596 0.168991 O\n0.295055 0.966936 0.391715 O\n",
"nsites": 20,
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"formula_full": "K1 Fe4 Si3 O12",
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"formula_anonymous": "AB3C4D12",
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{
"id": "jvasp-114086",
"created_at": "2022-09-04T14:38:48.198592Z",
"updated_at": "2022-09-04T14:38:48.198626Z",
"structure_string": "Ba2 Te1\n1.0\n4.033238 0.000000 2.301454\n0.000000 4.429012 0.000000\n1.709262 0.000000 10.879712\nBa Te\n2 1\ndirect\n0.045092 0.000000 -0.143701 Ba\n0.221574 0.000000 0.410368 Ba\n0.133334 0.000000 0.133333 Te\n",
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{
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"created_at": "2022-09-04T14:36:49.710360Z",
"updated_at": "2022-09-04T14:36:49.710391Z",
"structure_string": "Ba1 Si6 N8\n1.0\n4.540896 -0.000000 1.791625\n1.900885 6.095403 1.832475\n0.003002 0.003757 6.642683\nBa Si N\n1 6 8\ndirect\n0.168171 0.000000 -0.000000 Ba\n0.812493 0.540720 0.137669 Si\n0.490882 0.459280 0.862330 Si\n0.490883 0.862330 0.459280 Si\n0.812492 0.137670 0.540719 Si\n0.018411 0.627914 0.627914 Si\n0.274239 0.372086 0.372086 Si\n0.984031 0.317514 0.317513 N\n0.500886 0.119118 0.478940 N\n0.098945 0.880882 0.521060 N\n0.709194 0.785546 0.214454 N\n0.500887 0.478940 0.119117 N\n0.098944 0.521060 0.880882 N\n0.709193 0.214454 0.785545 N\n0.619058 0.682486 0.682486 N\n",
"nsites": 15,
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],
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"density": 3.775273212534936,
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"volume": 183.8088555228484,
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"formula_full": "Ba1 Si6 N8",
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},
{
"id": "jvasp-10700",
"created_at": "2022-09-04T14:36:50.428887Z",
"updated_at": "2022-09-04T14:36:50.428897Z",
"structure_string": "Rb4 Sb4 S8\n1.0\n6.491006 0.033948 -0.009967\n-1.594842 6.288621 -0.058588\n-2.237680 -2.614831 11.709564\nRb Sb S\n4 4 8\ndirect\n0.637162 0.759647 0.469128 Rb\n0.504552 0.109274 0.160913 Rb\n0.969157 0.150573 0.895191 Rb\n0.172318 0.718188 0.734820 Rb\n0.653360 0.629014 0.968254 Sb\n0.057778 0.218298 0.401687 Sb\n0.083739 0.650943 0.228270 Sb\n0.487887 0.239537 0.661646 Sb\n0.048260 0.259238 0.180318 S\n0.093553 0.610021 0.449742 S\n0.497815 0.234755 0.906531 S\n0.448043 0.221794 0.437127 S\n0.643634 0.633785 0.723494 S\n0.091146 0.192027 0.633774 S\n0.050192 0.676789 0.996217 S\n0.693410 0.647117 0.192881 S\n",
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"volume": 477.44047351800435,
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"formula_full": "Rb4 Sb4 S8",
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}
]
}