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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3831",
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{
"id": "jvasp-107078",
"created_at": "2022-09-04T14:36:56.794407Z",
"updated_at": "2022-09-04T14:36:56.794425Z",
"structure_string": "Ca1 Cd1 C2 O6\n1.0\n4.566490 -0.026973 4.216934\n1.829049 4.184273 4.216934\n-0.041495 -0.026973 6.215597\nCa Cd C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.500000 0.500000 Cd\n0.247755 0.247756 0.247756 C\n0.752243 0.752245 0.752244 C\n0.990640 0.247181 0.507573 O\n0.507574 0.990640 0.247179 O\n0.247179 0.507574 0.990641 O\n0.009359 0.752820 0.492426 O\n0.492425 0.009360 0.752820 O\n0.752820 0.492427 0.009359 O\n",
"nsites": 10,
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"elements": [
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],
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"volume": 120.11905450795156,
"volume_molar": 7.233738542049968,
"formula_full": "Ca1 Cd1 C2 O6",
"formula_reduced": "CaCd(CO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 148
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{
"id": "jvasp-94896",
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"updated_at": "2022-09-04T14:36:19.576225Z",
"structure_string": "Ca1 Cd2 Au4\n1.0\n-0.000000 0.000000 -5.596504\n-3.601473 3.601473 -2.798252\n3.601473 3.601473 -2.798252\nCa Cd Au\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.500000 0.500000 Cd\n0.749999 0.500000 0.500000 Cd\n0.697226 0.000000 0.605547 Au\n0.302774 0.000000 0.394452 Au\n0.697226 0.605547 0.000000 Au\n0.302774 0.394452 0.000000 Au\n",
"nsites": 7,
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"elements": [
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"chemical_system": "Au-Ca-Cd",
"density": 12.041315099223192,
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"volume": 145.18011653143887,
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"formula_full": "Ca1 Cd2 Au4",
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"spacegroup": 139
},
{
"id": "jvasp-39925",
"created_at": "2022-09-04T14:37:43.893991Z",
"updated_at": "2022-09-04T14:37:43.894002Z",
"structure_string": "Ca1 Cd1 Au2\n1.0\n0.000000 3.499697 3.499697\n3.499697 0.000000 3.499697\n3.499697 3.499697 0.000000\nCa Cd Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750001 0.750001 Cd\n0.499999 0.499999 0.499999 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Ca-Cd",
"density": 10.584151614543314,
"density_atomic": 0.04665934737072312,
"volume": 85.72773142793335,
"volume_molar": 12.906611642362261,
"formula_full": "Ca1 Cd1 Au2",
"formula_reduced": "CaCdAu2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-86250",
"created_at": "2022-09-04T14:35:50.836668Z",
"updated_at": "2022-09-04T14:35:50.836686Z",
"structure_string": "Ca4 Cd4 Au4\n1.0\n4.337940 0.000000 0.000000\n-0.000000 7.374524 0.000000\n0.000000 0.000000 8.905117\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.547178 0.817705 Ca\n0.750000 0.952821 0.317705 Ca\n0.750000 0.452821 0.182295 Ca\n0.250000 0.047178 0.682296 Ca\n0.750000 0.359156 0.559787 Cd\n0.250000 0.640843 0.440213 Cd\n0.250000 0.140843 0.059787 Cd\n0.750000 0.859156 0.940213 Cd\n0.250000 0.742071 0.130035 Au\n0.250000 0.242072 0.369966 Au\n0.750000 0.257928 0.869966 Au\n0.750000 0.757928 0.630035 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Ca-Cd",
"density": 8.14786623887781,
"density_atomic": 0.042123464400532135,
"volume": 284.8768535725757,
"volume_molar": 14.296404262332997,
"formula_full": "Ca4 Cd4 Au4",
"formula_reduced": "CaCdAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0080853333333333,
"spacegroup": 62
},
{
"id": "jvasp-61472",
"created_at": "2022-09-04T14:35:44.544519Z",
"updated_at": "2022-09-04T14:35:44.544536Z",
"structure_string": "Ca4 Cd4 Au4\n1.0\n4.336165 0.000000 0.000000\n-0.000000 7.376061 0.000000\n0.000000 0.000000 8.906668\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.047218 0.682313 Ca\n0.750001 0.452782 0.182312 Ca\n0.750001 0.952781 0.317688 Ca\n0.250000 0.547218 0.817688 Ca\n0.250000 0.140806 0.059855 Cd\n0.750001 0.359194 0.559855 Cd\n0.750001 0.859194 0.940145 Cd\n0.250000 0.640806 0.440145 Cd\n0.250000 0.242076 0.369997 Au\n0.750001 0.257924 0.869997 Au\n0.750001 0.757924 0.630003 Au\n0.250000 0.742076 0.130003 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Au"
],
"chemical_system": "Au-Ca-Cd",
"density": 8.148083881533047,
"density_atomic": 0.0421245895862398,
"volume": 284.8692442553757,
"volume_molar": 14.296022392505783,
"formula_full": "Ca4 Cd4 Au4",
"formula_reduced": "CaCdAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0080953333333333,
"spacegroup": 62
},
{
"id": "jvasp-86852",
"created_at": "2022-09-04T14:36:02.084345Z",
"updated_at": "2022-09-04T14:36:02.084375Z",
"structure_string": "Ca4 Cd4 Au4\n1.0\n4.337930 -0.000000 0.000000\n-0.000000 7.374524 0.000000\n0.000000 0.000000 8.905104\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.547178 0.817704 Ca\n0.750000 0.952822 0.317704 Ca\n0.750000 0.452822 0.182296 Ca\n0.250000 0.047178 0.682295 Ca\n0.750000 0.359156 0.559787 Cd\n0.250000 0.640843 0.440212 Cd\n0.250000 0.140843 0.059788 Cd\n0.750000 0.859156 0.940212 Cd\n0.250000 0.742072 0.130034 Au\n0.250000 0.242072 0.369966 Au\n0.750000 0.257927 0.869965 Au\n0.750000 0.757927 0.630034 Au\n",
"nsites": 12,
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"elements": [
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"Cd",
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],
"chemical_system": "Au-Ca-Cd",
"density": 8.147896916305534,
"density_atomic": 0.04212362299905312,
"volume": 284.8757809903897,
"volume_molar": 14.296350435325493,
"formula_full": "Ca4 Cd4 Au4",
"formula_reduced": "CaCdAu",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-2520",
"created_at": "2022-09-04T14:37:17.170662Z",
"updated_at": "2022-09-04T14:37:17.170684Z",
"structure_string": "Ca1 Cd2 As2\n1.0\n2.215524 -3.837400 0.000000\n2.215524 3.837400 0.000000\n0.000000 0.000000 7.187962\nCa Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.365920 Cd\n0.666666 0.333332 0.634080 Cd\n0.333332 0.666666 0.767629 As\n0.666666 0.333332 0.232371 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"As"
],
"chemical_system": "As-Ca-Cd",
"density": 5.634807361830465,
"density_atomic": 0.04090917355625606,
"volume": 122.22197530156099,
"volume_molar": 14.720758784624874,
"formula_full": "Ca1 Cd2 As2",
"formula_reduced": "Ca(CdAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-107076",
"created_at": "2022-09-04T14:36:57.163844Z",
"updated_at": "2022-09-04T14:36:57.163869Z",
"structure_string": "Ca1 Cd3 O4\n1.0\n3.379839 -0.000000 0.000000\n0.000000 3.379839 0.000000\n-0.000000 -0.000000 9.495636\nCa Cd O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.748081 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.251919 Cd\n0.000000 0.000000 0.250859 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.749142 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Cd",
"O"
],
"chemical_system": "Ca-Cd-O",
"density": 6.755778531765452,
"density_atomic": 0.07375201711589087,
"volume": 108.47160949413941,
"volume_molar": 8.16539126046825,
"formula_full": "Ca1 Cd3 O4",
"formula_reduced": "CaCd3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.36390625,
"spacegroup": 123
},
{
"id": "jvasp-22707",
"created_at": "2022-09-04T14:36:22.388878Z",
"updated_at": "2022-09-04T14:36:22.388907Z",
"structure_string": "Ca1 Cd3 O4\n1.0\n-0.000000 2.399129 2.399129\n-4.758094 2.371132 -2.371132\n-4.758094 -2.371132 2.371132\nCa Cd O\n1 3 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.750415 0.750415 O\n0.500000 0.747155 0.252844 O\n0.500000 0.252844 0.747155 O\n0.000000 0.249584 0.249584 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.768448788493013,
"density_atomic": 0.07389033677611062,
"volume": 108.26855511892143,
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"formula_full": "Ca1 Cd3 O4",
"formula_reduced": "CaCd3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.36483875,
"spacegroup": 65
},
{
"id": "jvasp-105729",
"created_at": "2022-09-04T14:36:18.165605Z",
"updated_at": "2022-09-04T14:36:18.165631Z",
"structure_string": "Ca2 Cd6\n1.0\n6.682755 -0.000000 -0.000000\n-3.341376 5.787436 0.000000\n0.000000 -0.000000 5.059167\nCa Cd\n2 6\ndirect\n0.333333 0.666667 0.750001 Ca\n0.666666 0.333333 0.250000 Ca\n0.160354 0.320709 0.250000 Cd\n0.679290 0.839646 0.250000 Cd\n0.160354 0.839646 0.250000 Cd\n0.839645 0.679291 0.750001 Cd\n0.320709 0.160355 0.750001 Cd\n0.839645 0.160355 0.750001 Cd\n",
"nsites": 8,
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"elements": [
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"density": 6.404095555475433,
"density_atomic": 0.04088549222142068,
"volume": 195.66842822082128,
"volume_molar": 14.729285212921777,
"formula_full": "Ca2 Cd6",
"formula_reduced": "CaCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-116490",
"created_at": "2022-09-04T14:38:43.293069Z",
"updated_at": "2022-09-04T14:38:43.293104Z",
"structure_string": "Ca4 Cd8 Pd4\n1.0\n5.519704 -0.000000 0.000000\n0.000000 7.947561 0.000000\n-0.000000 -0.000000 8.258413\nCa Cd Pd\n4 8 4\ndirect\n0.397850 0.534426 0.250000 Ca\n0.102149 0.034426 0.250000 Ca\n0.602149 0.465574 0.750000 Ca\n0.897850 0.965574 0.750000 Ca\n0.902765 0.675353 0.053850 Cd\n0.597234 0.175353 0.446150 Cd\n0.097234 0.324647 0.553850 Cd\n0.402765 0.824646 0.946149 Cd\n0.097234 0.324647 0.946149 Cd\n0.402765 0.824646 0.553850 Cd\n0.902765 0.675353 0.446150 Cd\n0.597234 0.175353 0.053850 Cd\n0.613553 0.881145 0.250000 Pd\n0.886446 0.381145 0.250000 Pd\n0.386447 0.118855 0.750000 Pd\n0.113553 0.618855 0.750000 Pd\n",
"nsites": 16,
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"elements": [
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],
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"density": 6.8078687417984645,
"density_atomic": 0.04416454147676663,
"volume": 362.28158303006546,
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"formula_full": "Ca4 Cd8 Pd4",
"formula_reduced": "CaCd2Pd",
"formula_anonymous": "ABC2",
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"spacegroup": 62
},
{
"id": "jvasp-19714",
"created_at": "2022-09-04T14:38:29.457697Z",
"updated_at": "2022-09-04T14:38:29.457721Z",
"structure_string": "Ca2 Cd4\n1.0\n4.565579 0.000000 1.961658\n1.961801 5.560472 1.727899\n0.065009 0.136008 6.142510\nCa Cd\n2 4\ndirect\n0.478477 0.271523 0.771523 Ca\n0.521523 0.728477 0.228477 Ca\n0.834043 0.140641 0.191275 Cd\n0.165957 0.859359 0.808725 Cd\n0.165957 0.308725 0.359359 Cd\n0.834043 0.691275 0.640641 Cd\n",
"nsites": 6,
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"volume": 154.6798756319375,
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"formula_full": "Ca2 Cd4",
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"spacegroup": 74
}
]
}