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"results": [
{
"id": "jvasp-108603",
"created_at": "2022-09-04T14:38:03.167260Z",
"updated_at": "2022-09-04T14:38:03.167286Z",
"structure_string": "Rb2 Na1 Au1 Br6\n1.0\n6.689749 -0.000000 3.862328\n2.229916 6.307155 3.862328\n-0.000000 -0.000000 7.724656\nRb Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.757235 0.242765 0.242765 Br\n0.242765 0.242765 0.757235 Br\n0.242765 0.757235 0.757235 Br\n0.242765 0.757235 0.242765 Br\n0.757235 0.242765 0.757235 Br\n0.757235 0.757235 0.242765 Br\n",
"nsites": 10,
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"elements": [
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"formula_full": "Rb2 Na1 Au1 Br6",
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{
"id": "jvasp-109466",
"created_at": "2022-09-04T14:38:07.494068Z",
"updated_at": "2022-09-04T14:38:07.494086Z",
"structure_string": "Rb1 Na2 As1 F6\n1.0\n5.660146 -0.000000 3.267887\n1.886715 5.336437 3.267887\n-0.000000 -0.000000 6.535774\nRb Na As F\n1 2 1 6\ndirect\n0.500001 0.500000 0.500000 Rb\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 As\n0.777987 0.222014 0.222014 F\n0.222014 0.222014 0.777986 F\n0.222015 0.777987 0.777986 F\n0.222015 0.777987 0.222014 F\n0.777987 0.222014 0.777986 F\n0.777987 0.777987 0.222014 F\n",
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"volume": 197.4131356273119,
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"formula_full": "Rb1 Na2 As1 F6",
"formula_reduced": "RbNa2AsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107419",
"created_at": "2022-09-04T14:36:58.828290Z",
"updated_at": "2022-09-04T14:36:58.828310Z",
"structure_string": "Rb2 Na1 As1 Cl6\n1.0\n6.345909 -0.000000 3.663812\n2.115303 5.982981 3.663812\n-0.000000 -0.000000 7.327625\nRb Na As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 As\n0.758438 0.241562 0.241561 Cl\n0.241562 0.241562 0.758438 Cl\n0.241561 0.758438 0.758438 Cl\n0.241561 0.758438 0.241561 Cl\n0.758438 0.241562 0.758437 Cl\n0.758438 0.758438 0.241561 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"As",
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],
"chemical_system": "As-Cl-Na-Rb",
"density": 2.874281405728851,
"density_atomic": 0.03594390854677648,
"volume": 278.2112576039486,
"volume_molar": 16.754273543075985,
"formula_full": "Rb2 Na1 As1 Cl6",
"formula_reduced": "Rb2NaAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-122105",
"created_at": "2022-09-04T14:38:54.919835Z",
"updated_at": "2022-09-04T14:38:54.919851Z",
"structure_string": "Rb4 Mo2 O4 F8\n1.0\n7.654376 0.019840 0.000000\n-5.340053 5.483950 0.000000\n-0.000000 -0.000000 7.070162\nRb Mo O F\n4 2 4 8\ndirect\n0.773750 0.226250 0.498033 Rb\n0.226251 0.773750 0.998033 Rb\n0.545926 0.454074 0.005738 Rb\n0.454075 0.545926 0.505738 Rb\n0.883638 0.116362 0.982921 Mo\n0.116363 0.883638 0.482922 Mo\n0.344927 0.105050 0.329041 O\n0.655074 0.894950 0.829040 O\n0.894951 0.655073 0.329041 O\n0.105050 0.344927 0.829040 O\n0.981691 0.018309 0.523740 F\n0.745870 0.254131 0.026989 F\n0.254131 0.745869 0.526989 F\n0.105876 0.344553 0.205249 F\n0.894125 0.655447 0.705249 F\n0.344553 0.105876 0.705249 F\n0.655448 0.894124 0.205249 F\n0.018309 0.981691 0.023740 F\n",
"nsites": 18,
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"elements": [
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"O",
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],
"chemical_system": "F-Mo-O-Rb",
"density": 4.184369897392364,
"density_atomic": 0.06049856828552694,
"volume": 297.52770206144095,
"volume_molar": 9.954187232296329,
"formula_full": "Rb4 Mo2 O4 F8",
"formula_reduced": "Rb2Mo(OF2)2",
"formula_anonymous": "AB2C2D4",
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"spacegroup": 36
},
{
"id": "jvasp-112423",
"created_at": "2022-09-04T14:38:40.333021Z",
"updated_at": "2022-09-04T14:38:40.333035Z",
"structure_string": "Rb2 Mo1 I6 O18\n1.0\n7.550454 -0.049572 -0.988798\n-1.120341 7.467037 -0.988798\n-0.042973 -0.049572 7.614803\nRb Mo I O\n2 1 6 18\ndirect\n0.166762 0.166762 0.166762 Rb\n0.833238 0.833239 0.833238 Rb\n0.500000 0.500000 0.500000 Mo\n0.706496 0.123073 0.340730 I\n0.659270 0.293504 0.876927 I\n0.293504 0.876928 0.659269 I\n0.123073 0.340731 0.706496 I\n0.340731 0.706497 0.123073 I\n0.876927 0.659270 0.293503 I\n0.072741 0.096567 0.687849 O\n0.304696 0.321037 0.553737 O\n0.927259 0.903434 0.312150 O\n0.695304 0.678964 0.446262 O\n0.687849 0.072741 0.096567 O\n0.606464 0.088775 0.706475 O\n0.393536 0.911225 0.293524 O\n0.706475 0.606465 0.088775 O\n0.553737 0.304696 0.321036 O\n0.293525 0.393536 0.911224 O\n0.321037 0.553738 0.304696 O\n0.903433 0.312151 0.927259 O\n0.446264 0.695305 0.678963 O\n0.088775 0.706476 0.606464 O\n0.096567 0.687850 0.072740 O\n0.911225 0.293525 0.393535 O\n0.678964 0.446263 0.695304 O\n0.312151 0.927260 0.903433 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
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"Mo",
"I",
"O"
],
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"density": 5.105092587376013,
"density_atomic": 0.06306177246992976,
"volume": 428.15161931698987,
"volume_molar": 9.549590067217956,
"formula_full": "Rb2 Mo1 I6 O18",
"formula_reduced": "Rb2Mo(IO3)6",
"formula_anonymous": "AB2C6D18",
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"spacegroup": 148
},
{
"id": "jvasp-24360",
"created_at": "2022-09-04T14:38:31.788799Z",
"updated_at": "2022-09-04T14:38:31.788815Z",
"structure_string": "Rb4 Mn2 P4 S12\n1.0\n0.000000 6.153465 0.003002\n12.285669 0.000000 0.000000\n0.000000 -5.101223 -7.404974\nRb Mn P S\n4 2 4 12\ndirect\n0.203539 0.324671 0.473897 Rb\n0.796460 0.675329 0.526103 Rb\n0.796460 0.824671 0.026103 Rb\n0.203539 0.175329 0.973897 Rb\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.841468 0.459042 0.871606 P\n0.841468 0.040958 0.371606 P\n0.158532 0.959042 0.628394 P\n0.158532 0.540958 0.128394 P\n0.722264 0.169425 0.452759 S\n0.971211 0.576549 0.249111 S\n0.541970 0.569800 0.744118 S\n0.458030 0.430200 0.255882 S\n0.722264 0.330575 0.952759 S\n0.028788 0.076549 0.250889 S\n0.971211 0.923451 0.749110 S\n0.458030 0.069800 0.755882 S\n0.277735 0.669425 0.047241 S\n0.541970 0.930200 0.244118 S\n0.028788 0.423451 0.750889 S\n0.277735 0.830575 0.547240 S\n",
"nsites": 22,
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"elements": [
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"Mn",
"P",
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],
"chemical_system": "Mn-P-Rb-S",
"density": 2.8498056869774624,
"density_atomic": 0.039312130390522705,
"volume": 559.6237034588113,
"volume_molar": 15.318785067552094,
"formula_full": "Rb4 Mn2 P4 S12",
"formula_reduced": "Rb2Mn(PS3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 14
},
{
"id": "jvasp-107528",
"created_at": "2022-09-04T14:36:57.156470Z",
"updated_at": "2022-09-04T14:36:57.156492Z",
"structure_string": "Rb1 Mn1 Cu1 S2\n1.0\n3.814921 -0.003908 -6.270920\n-0.303018 3.802870 -6.270920\n0.003612 0.003908 7.340167\nRb Mn Cu S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.249999 0.750000 0.500000 Mn\n0.749999 0.250000 0.499999 Cu\n0.647341 0.647341 -0.000001 S\n0.352658 0.352658 -0.000000 S\n",
"nsites": 5,
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],
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"density": 4.173364923102268,
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"volume": 106.66701447660516,
"volume_molar": 12.84727551254148,
"formula_full": "Rb1 Mn1 Cu1 S2",
"formula_reduced": "RbMnCuS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.260165538275862,
"spacegroup": 119
},
{
"id": "jvasp-90191",
"created_at": "2022-09-04T14:36:21.124142Z",
"updated_at": "2022-09-04T14:36:21.124168Z",
"structure_string": "Rb2 Mn1 Cl4 O2\n1.0\n5.663518 0.230622 0.475173\n0.853679 5.986423 2.810406\n0.326174 0.412261 6.622972\nRb Mn Cl O\n2 1 4 2\ndirect\n0.782875 0.830795 0.859449 Rb\n0.217125 0.169204 0.140551 Rb\n-0.000000 0.500000 0.500000 Mn\n0.238984 0.131229 0.652096 Cl\n0.761016 0.868770 0.347904 Cl\n0.721816 0.365429 0.812176 Cl\n0.278184 0.634570 0.187824 Cl\n0.142390 0.577283 0.646412 O\n0.857610 0.422716 0.353588 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 3.070774288322786,
"density_atomic": 0.04164127906347061,
"volume": 216.1316895737518,
"volume_molar": 14.461949525663975,
"formula_full": "Rb2 Mn1 Cl4 O2",
"formula_reduced": "Rb2Mn(Cl2O)2",
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"spacegroup": 2
},
{
"id": "jvasp-38268",
"created_at": "2022-09-04T14:38:19.938159Z",
"updated_at": "2022-09-04T14:38:19.938168Z",
"structure_string": "Rb4 Mg4 P4 O16\n1.0\n5.448183 0.000000 0.000000\n0.000000 8.753418 0.000000\n0.000000 0.000000 9.357220\nRb Mg P O\n4 4 4 16\ndirect\n0.230720 0.497481 0.220649 Rb\n0.230720 0.997481 0.279351 Rb\n0.730720 0.002520 0.720649 Rb\n0.730720 0.502520 0.779351 Rb\n0.246522 0.310757 0.580260 Mg\n0.246522 0.810757 0.919740 Mg\n0.746522 0.189243 0.080260 Mg\n0.746522 0.689243 0.419740 Mg\n0.746231 0.294770 0.417377 P\n0.746231 0.794770 0.082623 P\n0.246231 0.205230 0.917377 P\n0.246231 0.705230 0.582623 P\n0.848712 0.243558 0.270825 O\n0.848712 0.743558 0.229175 O\n0.735631 0.470361 0.421952 O\n0.735631 0.970361 0.078048 O\n0.484316 0.229499 0.442242 O\n0.484316 0.729499 0.057758 O\n0.420066 0.765427 0.463558 O\n0.984316 0.270501 0.942242 O\n0.348712 0.256442 0.770825 O\n0.348712 0.756442 0.729175 O\n0.235632 0.029640 0.921952 O\n0.235632 0.529640 0.578048 O\n0.920066 0.234573 0.536442 O\n0.984316 0.770501 0.557758 O\n0.420066 0.265427 0.036442 O\n0.920066 0.734574 0.963558 O\n",
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"elements": [
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],
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"density_atomic": 0.06274539193858428,
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"formula_full": "Rb4 Mg4 P4 O16",
"formula_reduced": "RbMgPO4",
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"spacegroup": 33
},
{
"id": "jvasp-35195",
"created_at": "2022-09-04T14:38:33.049632Z",
"updated_at": "2022-09-04T14:38:33.049670Z",
"structure_string": "Rb4 Mg4 B4 O12\n1.0\n6.964787 0.000000 -0.000000\n-0.000000 6.964787 0.000000\n-0.000000 -0.000000 6.964787\nRb Mg B O\n4 4 4 12\ndirect\n0.608262 0.391738 0.891738 Rb\n0.108262 0.108262 0.108262 Rb\n0.891738 0.608262 0.391738 Rb\n0.391738 0.891738 0.608262 Rb\n0.109046 0.609046 0.890954 Mg\n0.609046 0.890954 0.109046 Mg\n0.890954 0.109046 0.609046 Mg\n0.390954 0.390954 0.390954 Mg\n0.851357 0.851357 0.851357 B\n0.648643 0.148643 0.351357 B\n0.148643 0.351357 0.648643 B\n0.351357 0.648643 0.148643 B\n0.281132 0.498780 0.655052 O\n0.001220 0.344948 0.781132 O\n0.218868 0.501220 0.155052 O\n0.844948 0.718868 0.998780 O\n0.501220 0.155052 0.218868 O\n0.718868 0.998780 0.844948 O\n0.344948 0.781132 0.001220 O\n0.998780 0.844948 0.718868 O\n0.781132 0.001220 0.344948 O\n0.155052 0.218868 0.501220 O\n0.498780 0.655052 0.281132 O\n0.655052 0.281132 0.498780 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "B-Mg-O-Rb",
"density": 3.3143378236098764,
"density_atomic": 0.07103750901116943,
"volume": 337.84968440020066,
"volume_molar": 8.477409813248268,
"formula_full": "Rb4 Mg4 B4 O12",
"formula_reduced": "RbMgBO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 198
},
{
"id": "jvasp-24308",
"created_at": "2022-09-04T14:38:18.449454Z",
"updated_at": "2022-09-04T14:38:18.449470Z",
"structure_string": "Rb4 Lu4 P8 O28\n1.0\n0.000000 7.652819 -0.017650\n10.737528 0.000000 0.000000\n0.000000 -2.270803 -8.314006\nRb Lu P O\n4 4 8 28\ndirect\n0.186889 0.683681 0.053626 Rb\n0.186889 0.816319 0.553627 Rb\n0.813112 0.183681 0.446374 Rb\n0.813112 0.316319 0.946374 Rb\n0.232994 0.097053 0.255872 Lu\n0.767007 0.902948 0.744128 Lu\n0.767007 0.597053 0.244128 Lu\n0.232994 0.402948 0.755872 Lu\n0.864506 0.597309 0.677808 P\n0.441912 0.360386 0.186920 P\n0.135494 0.402691 0.322192 P\n0.864506 0.902691 0.177808 P\n0.441912 0.139614 0.686920 P\n0.135494 0.097309 0.822192 P\n0.558089 0.860386 0.313081 P\n0.558089 0.639614 0.813081 P\n0.986099 0.497643 0.779086 O\n0.549421 0.721965 0.270358 O\n0.450579 0.278035 0.729643 O\n0.450579 0.221965 0.229642 O\n0.668125 0.609711 0.983301 O\n0.080692 0.227769 0.754091 O\n0.338897 0.069288 0.805996 O\n0.145065 0.411675 0.499137 O\n0.331876 0.390289 0.016699 O\n0.631677 0.416594 0.228833 O\n0.668124 0.890289 0.483301 O\n0.631677 0.083406 0.728833 O\n0.661104 0.569288 0.694005 O\n0.338896 0.430713 0.305995 O\n0.986098 0.002357 0.279086 O\n0.331876 0.109711 0.516699 O\n0.854936 0.911675 0.000863 O\n0.919309 0.727769 0.745909 O\n0.661104 0.930713 0.194005 O\n0.549422 0.778036 0.770358 O\n0.080691 0.272231 0.254091 O\n0.368323 0.916594 0.271168 O\n0.368324 0.583406 0.771168 O\n0.145065 0.088326 0.999137 O\n0.919309 0.772231 0.245909 O\n0.013902 0.502357 0.220914 O\n0.013902 -0.002357 0.720915 O\n0.854936 0.588326 0.500863 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Lu",
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"O"
],
"chemical_system": "Lu-O-P-Rb",
"density": 4.220534555357391,
"density_atomic": 0.0643640113468252,
"volume": 683.6118364796467,
"volume_molar": 9.356378873823944,
"formula_full": "Rb4 Lu4 P8 O28",
"formula_reduced": "RbLuP2O7",
"formula_anonymous": "ABC2D7",
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"spacegroup": 14
},
{
"id": "jvasp-104797",
"created_at": "2022-09-04T14:38:47.483107Z",
"updated_at": "2022-09-04T14:38:47.483124Z",
"structure_string": "Rb2 Lu1 Cu1 Cl6\n1.0\n6.232370 -0.000000 3.598261\n2.077457 5.875935 3.598261\n-0.000000 -0.000000 7.196521\nRb Lu Cu Cl\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Cu\n0.748071 0.251928 0.251929 Cl\n0.251929 0.251928 0.748071 Cl\n0.251929 0.748071 0.748071 Cl\n0.251929 0.748071 0.251929 Cl\n0.748071 0.251928 0.748071 Cl\n0.748072 0.748071 0.251929 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Cu-Lu-Rb",
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"density_atomic": 0.037944356466633265,
"volume": 263.5438028523055,
"volume_molar": 15.870978772022731,
"formula_full": "Rb2 Lu1 Cu1 Cl6",
"formula_reduced": "Rb2LuCuCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
}
]
}