HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1552",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1550",
"results": [
{
"id": "jvasp-60703",
"created_at": "2022-09-04T14:35:50.357945Z",
"updated_at": "2022-09-04T14:35:50.357971Z",
"structure_string": "Hg8 I16\n1.0\n8.443064 -0.000000 -2.823481\n-0.944212 8.390101 -2.823481\n-0.038137 -0.042670 13.921361\nHg I\n8 16\ndirect\n0.185319 0.689157 0.378315 Hg\n0.189157 0.685319 0.878315 Hg\n0.692995 0.689157 0.378315 Hg\n0.307004 0.310843 0.621685 Hg\n0.810843 0.314681 0.121685 Hg\n0.189157 0.192996 0.878315 Hg\n0.814680 0.310843 0.621685 Hg\n0.810843 0.807004 0.121685 Hg\n0.489298 0.239299 0.478598 I\n0.609572 0.359572 0.250000 I\n0.738159 0.488159 0.976318 I\n0.739298 0.989299 0.978598 I\n0.140428 0.890428 0.250000 I\n0.609572 0.890428 0.250000 I\n0.260701 0.010701 0.021402 I\n0.988159 0.238159 0.476318 I\n0.140428 0.359572 0.250000 I\n0.390427 0.640428 0.750000 I\n0.261841 0.511841 0.023682 I\n0.390427 0.109572 0.750000 I\n0.011841 0.761841 0.523682 I\n0.510701 0.760701 0.521402 I\n0.859572 0.109572 0.750000 I\n0.859572 0.640428 0.750000 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Hg",
"I"
],
"chemical_system": "Hg-I",
"density": 6.133724676968905,
"density_atomic": 0.024387041968379576,
"volume": 984.1291957884266,
"volume_molar": 24.694018929431266,
"formula_full": "Hg8 I16",
"formula_reduced": "HgI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0003133333333333,
"spacegroup": 141
},
{
"id": "jvasp-113640",
"created_at": "2022-09-04T14:38:50.634995Z",
"updated_at": "2022-09-04T14:38:50.635029Z",
"structure_string": "Hg1 I3\n1.0\n7.590675 0.061672 -0.033160\n-1.634631 -3.074208 -0.678019\n2.068556 -1.336448 -8.184062\nHg I\n1 3\ndirect\n0.981304 0.058481 0.943388 Hg\n0.374157 0.844731 0.156764 I\n0.567700 0.231916 0.770320 I\n0.757536 0.609241 0.395486 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"I"
],
"chemical_system": "Hg-I",
"density": 5.277488703331547,
"density_atomic": 0.02186932283212002,
"volume": 182.90461166566624,
"volume_molar": 27.536932927594506,
"formula_full": "Hg1 I3",
"formula_reduced": "HgI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 44
},
{
"id": "jvasp-22656",
"created_at": "2022-09-04T14:36:51.717609Z",
"updated_at": "2022-09-04T14:36:51.717632Z",
"structure_string": "Hg2 I2 Br2\n1.0\n4.329642 -0.138917 0.000000\n-1.800490 3.939965 -0.000000\n-0.000000 0.000000 13.039319\nHg I Br\n2 2 2\ndirect\n0.844031 0.155968 0.001194 Hg\n0.155968 0.844033 0.501194 Hg\n0.892662 0.107336 0.641693 I\n0.107337 0.892664 0.141693 I\n0.593358 0.406641 0.869113 Br\n0.406641 0.593359 0.369113 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hg",
"I",
"Br"
],
"chemical_system": "Br-Hg-I",
"density": 6.173253624751837,
"density_atomic": 0.027375804053669926,
"volume": 219.17164472090295,
"volume_molar": 21.99804158516647,
"formula_full": "Hg2 I2 Br2",
"formula_reduced": "HgIBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1186799999999999,
"spacegroup": 36
},
{
"id": "jvasp-12117",
"created_at": "2022-09-04T14:38:15.643735Z",
"updated_at": "2022-09-04T14:38:15.643764Z",
"structure_string": "Hg4 I4 N4 O12\n1.0\n5.392198 0.000000 0.000000\n-0.000000 7.537444 0.000000\n0.000000 0.000000 12.035426\nHg I N O\n4 4 4 12\ndirect\n0.750000 0.597101 0.271931 Hg\n0.250000 0.902898 0.771931 Hg\n0.250000 0.402899 0.728070 Hg\n0.750000 0.097101 0.228070 Hg\n0.750000 0.882626 0.408927 I\n0.250000 0.617373 0.908928 I\n0.750000 0.382626 0.091073 I\n0.250000 0.117375 0.591073 I\n0.750000 0.058114 0.855034 N\n0.750000 0.558113 0.644966 N\n0.250000 0.441886 0.355034 N\n0.250000 0.941886 0.144966 N\n0.750000 0.925944 0.788170 O\n0.454620 0.377420 0.387589 O\n0.954621 0.622580 0.612411 O\n0.545380 0.122580 0.887590 O\n0.750000 0.425944 0.711830 O\n0.045380 0.877419 0.112411 O\n0.545380 0.622580 0.612411 O\n0.954621 0.122580 0.887590 O\n0.250000 0.074055 0.211830 O\n0.454620 0.877419 0.112411 O\n0.045380 0.377420 0.387589 O\n0.250000 0.574055 0.288170 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Hg",
"I",
"N",
"O"
],
"chemical_system": "Hg-I-N-O",
"density": 5.288888993392431,
"density_atomic": 0.04906364905272749,
"volume": 489.16051829344764,
"volume_molar": 12.274139564157068,
"formula_full": "Hg4 I4 N4 O12",
"formula_reduced": "HgINO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.8751274374999995,
"spacegroup": 62
},
{
"id": "jvasp-12522",
"created_at": "2022-09-04T14:37:06.552948Z",
"updated_at": "2022-09-04T14:37:06.552975Z",
"structure_string": "Hg2 I4 O12\n1.0\n0.000000 5.856432 0.014450\n5.576370 0.000000 0.000000\n0.000000 -1.952557 -8.808121\nHg I O\n2 4 12\ndirect\n0.931861 0.747270 0.826815 Hg\n0.068138 0.247270 0.173185 Hg\n0.567372 0.267537 0.848663 I\n0.432628 0.767537 0.151337 I\n0.729376 0.233881 0.433616 I\n0.270623 0.733881 0.566384 I\n0.827319 0.075782 0.934723 O\n0.172680 0.575782 0.065277 O\n0.966450 0.439712 0.415047 O\n0.033549 0.939712 0.584952 O\n0.296380 0.919654 0.295809 O\n0.661127 0.500408 0.993526 O\n0.338872 0.000408 0.006474 O\n0.238528 0.564036 0.739721 O\n0.479854 0.430801 0.351092 O\n0.520146 0.930801 0.648908 O\n0.703620 0.419654 0.704191 O\n0.761471 0.064036 0.260279 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hg",
"I",
"O"
],
"chemical_system": "Hg-I-O",
"density": 6.358043409275369,
"density_atomic": 0.06260977635433938,
"volume": 287.4950374863054,
"volume_molar": 9.618531019688932,
"formula_full": "Hg2 I4 O12",
"formula_reduced": "Hg(IO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.6339704069444445,
"spacegroup": 4
},
{
"id": "jvasp-92267",
"created_at": "2022-09-04T14:36:09.197872Z",
"updated_at": "2022-09-04T14:36:09.197894Z",
"structure_string": "Hg1 Ir1 O3\n1.0\n3.959536 0.000000 -0.000000\n-0.000000 3.959536 -0.000000\n0.000000 0.000000 3.959536\nHg Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Ir\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hg",
"Ir",
"O"
],
"chemical_system": "Hg-Ir-O",
"density": 11.79133338843969,
"density_atomic": 0.08054472750980567,
"volume": 62.077309770416576,
"volume_molar": 7.476765948791439,
"formula_full": "Hg1 Ir1 O3",
"formula_reduced": "HgIrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1088412400000003,
"spacegroup": 221
},
{
"id": "jvasp-53579",
"created_at": "2022-09-04T14:37:03.216106Z",
"updated_at": "2022-09-04T14:37:03.216119Z",
"structure_string": "Hg1 Mo6 S8\n1.0\n6.575753 -0.000840 -0.001042\n-0.326008 6.567802 -0.001145\n-0.325227 -0.341975 6.558946\nHg Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.409535 0.222288 0.554003 Mo\n0.222288 0.553992 0.409548 Mo\n0.553996 0.409545 0.222294 Mo\n0.446003 0.590455 0.777708 Mo\n0.777711 0.446008 0.590454 Mo\n0.590464 0.777712 0.445998 Mo\n0.620526 0.274931 0.869811 S\n0.274934 0.869806 0.620540 S\n0.226903 0.226899 0.226921 S\n0.869829 0.620534 0.274929 S\n0.130170 0.379467 0.725073 S\n0.773095 0.773102 0.773081 S\n0.725064 0.130194 0.379462 S\n0.379473 0.725069 0.130191 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Hg",
"Mo",
"S"
],
"chemical_system": "Hg-Mo-S",
"density": 6.054175340776737,
"density_atomic": 0.052954387945501766,
"volume": 283.2626451171018,
"volume_molar": 11.37231680630076,
"formula_full": "Hg1 Mo6 S8",
"formula_reduced": "Hg(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.046016,
"spacegroup": 148
},
{
"id": "jvasp-12232",
"created_at": "2022-09-04T14:38:06.404659Z",
"updated_at": "2022-09-04T14:38:06.404685Z",
"structure_string": "Hg2 Mo2 O8\n1.0\n4.895769 0.007204 -1.721163\n-1.028123 5.308951 -2.902228\n0.026247 -0.001347 6.477203\nHg Mo O\n2 2 8\ndirect\n0.500001 0.499999 0.500000 Hg\n0.000000 -0.000000 0.500000 Hg\n0.750000 0.190668 0.000000 Mo\n0.250000 0.809331 -0.000000 Mo\n0.968265 0.477624 0.226408 O\n0.531736 0.251215 0.773591 O\n0.031736 0.522375 0.773591 O\n0.468265 0.748783 0.226408 O\n0.031576 0.006230 0.193877 O\n0.468425 0.812353 0.806122 O\n0.968426 0.993769 0.806122 O\n0.531576 0.187646 0.193877 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"Mo",
"O"
],
"chemical_system": "Hg-Mo-O",
"density": 7.100934238535509,
"density_atomic": 0.07116707657345875,
"volume": 168.61729577459298,
"volume_molar": 8.461975747709602,
"formula_full": "Hg2 Mo2 O8",
"formula_reduced": "HgMoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3212624166666664,
"spacegroup": 15
},
{
"id": "jvasp-39308",
"created_at": "2022-09-04T14:38:36.139165Z",
"updated_at": "2022-09-04T14:38:36.139191Z",
"structure_string": "Hg2 N2\n1.0\n1.785649 -3.092836 -0.000000\n1.785649 3.092836 -0.000000\n0.000000 -0.000000 6.255957\nHg N\n2 2\ndirect\n0.333333 0.666667 0.014359 Hg\n0.666667 0.333333 0.514359 Hg\n0.333333 0.666667 0.360639 N\n0.666667 0.333333 0.860639 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"N"
],
"chemical_system": "Hg-N",
"density": 10.313958866060142,
"density_atomic": 0.057887294730747295,
"volume": 69.09979156229888,
"volume_molar": 10.403216781870604,
"formula_full": "Hg2 N2",
"formula_reduced": "HgN",
"formula_anonymous": "AB",
"energy_above_hull": 1.994968925,
"spacegroup": 186
},
{
"id": "jvasp-33037",
"created_at": "2022-09-04T14:37:35.531348Z",
"updated_at": "2022-09-04T14:37:35.531374Z",
"structure_string": "Hg4 N12\n1.0\n3.590543 -0.021567 0.000000\n-1.405964 5.882333 0.000000\n0.000000 0.000000 12.669232\nHg N\n4 12\ndirect\n0.893519 0.796829 0.539089 Hg\n0.393519 0.296829 0.960911 Hg\n0.106481 0.203170 0.460911 Hg\n0.606481 0.703170 0.039089 Hg\n0.696410 0.448718 0.601720 N\n0.206061 0.592065 0.310420 N\n0.803589 0.051281 0.101720 N\n0.617201 0.141789 0.272809 N\n0.882798 0.358210 0.772809 N\n0.117202 0.641789 0.227191 N\n0.293940 0.907934 0.810420 N\n0.706060 0.092065 0.189579 N\n0.303590 0.551281 0.398280 N\n0.382799 0.858210 0.727191 N\n0.793939 0.407934 0.689579 N\n0.196411 0.948718 0.898280 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Hg",
"N"
],
"chemical_system": "Hg-N",
"density": 6.0308966898227006,
"density_atomic": 0.059880291525672515,
"volume": 267.1997679426846,
"volume_molar": 10.05696633493864,
"formula_full": "Hg4 N12",
"formula_reduced": "HgN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5990635875,
"spacegroup": 14
},
{
"id": "jvasp-88170",
"created_at": "2022-09-04T14:36:13.065821Z",
"updated_at": "2022-09-04T14:36:13.065851Z",
"structure_string": "Hg4 N24\n1.0\n6.264121 0.000000 0.000000\n0.000000 6.283415 0.000000\n0.000000 0.000000 10.631395\nHg N\n4 24\ndirect\n0.762603 0.765372 0.964840 Hg\n0.237397 0.265372 0.035160 Hg\n0.237397 0.765372 0.464840 Hg\n0.762603 0.265372 0.535160 Hg\n0.947448 0.618912 0.417440 N\n0.608822 0.270433 0.882117 N\n0.881758 0.119101 0.190006 N\n0.804302 0.605621 0.211646 N\n0.118242 0.619101 0.809994 N\n0.528580 0.884335 0.539080 N\n0.052552 0.118913 0.582560 N\n0.471420 0.384336 0.460919 N\n0.528580 0.384336 0.960919 N\n0.947448 0.118913 0.082560 N\n0.608822 0.770432 0.617883 N\n0.195698 0.105621 0.788354 N\n0.304737 0.167225 0.307345 N\n0.304737 0.667224 0.192655 N\n0.052552 0.618912 0.917439 N\n0.391178 0.270433 0.382117 N\n0.118242 0.119101 0.690005 N\n0.195698 0.605621 0.711646 N\n0.471420 0.884335 0.039081 N\n0.695263 0.167225 0.807345 N\n0.391178 0.770432 0.117883 N\n0.695263 0.667224 0.692655 N\n0.804302 0.105621 0.288354 N\n0.881758 0.619101 0.309994 N\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Hg",
"N"
],
"chemical_system": "Hg-N",
"density": 4.5179761074592655,
"density_atomic": 0.06691321460332507,
"volume": 418.4524710999106,
"volume_molar": 8.999927436905335,
"formula_full": "Hg4 N24",
"formula_reduced": "HgN6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.870849157142857,
"spacegroup": 29
},
{
"id": "jvasp-93682",
"created_at": "2022-09-04T14:35:46.295355Z",
"updated_at": "2022-09-04T14:35:46.295381Z",
"structure_string": "Hg2 N2 Cl2\n1.0\n0.000000 4.275122 0.000000\n0.000000 0.000000 3.869068\n6.963315 0.000000 0.000000\nHg N Cl\n2 2 2\ndirect\n0.000000 -0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.306462 0.250000 N\n0.000000 0.693538 0.750001 N\n0.500000 0.544667 0.750001 Cl\n0.500000 0.455334 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hg",
"N",
"Cl"
],
"chemical_system": "Cl-Hg-N",
"density": 7.209987531893201,
"density_atomic": 0.05209311566049956,
"volume": 115.1783671205828,
"volume_molar": 11.560338988451758,
"formula_full": "Hg2 N2 Cl2",
"formula_reduced": "HgNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3403906391666662,
"spacegroup": 51
}
]
}