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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=907",
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"results": [
{
"id": "jvasp-111096",
"created_at": "2022-09-04T14:38:38.191080Z",
"updated_at": "2022-09-04T14:38:38.191103Z",
"structure_string": "Cd2 In1 Ag1 S4\n1.0\n7.091648 0.002711 3.491015\n5.873652 3.973875 3.491015\n-0.037354 -0.011457 7.218946\nCd In Ag S\n2 1 1 4\ndirect\n0.494739 0.494738 0.175433 Cd\n0.004407 0.004406 0.648309 Cd\n0.753155 0.753152 0.599658 In\n0.246886 0.246885 0.072776 Ag\n0.061099 0.061098 0.263274 S\n0.566816 0.566813 0.770498 S\n0.817878 0.817874 0.855153 S\n0.302822 0.302820 0.366897 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ag",
"S"
],
"chemical_system": "Ag-Cd-In-S",
"density": 4.689198076546875,
"density_atomic": 0.0392366384642227,
"volume": 203.8910649110441,
"volume_molar": 15.348258657507557,
"formula_full": "Cd2 In1 Ag1 S4",
"formula_reduced": "Cd2InAgS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.37071209125,
"spacegroup": 8
},
{
"id": "jvasp-102792",
"created_at": "2022-09-04T14:36:52.154161Z",
"updated_at": "2022-09-04T14:36:52.154188Z",
"structure_string": "Cd2 In1 Cu1 Se4\n1.0\n7.320770 0.009851 3.669840\n6.080558 4.076834 3.669840\n0.006053 0.001846 7.348499\nCd In Cu Se\n2 1 1 4\ndirect\n0.497290 0.497289 0.184729 Cd\n0.996620 0.996618 0.654108 Cd\n0.750905 0.750905 0.596223 In\n0.252119 0.252119 0.066009 Cu\n0.076506 0.076507 0.252138 Se\n0.562077 0.562077 0.773996 Se\n0.806805 0.806805 0.882338 Se\n0.305041 0.305041 0.340460 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"In",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-In-Se",
"density": 5.457374140660304,
"density_atomic": 0.036566216260772604,
"volume": 218.78118159526983,
"volume_molar": 16.469138390072953,
"formula_full": "Cd2 In1 Cu1 Se4",
"formula_reduced": "Cd2InCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0618629233333333,
"spacegroup": 8
},
{
"id": "jvasp-112334",
"created_at": "2022-09-04T14:38:26.707892Z",
"updated_at": "2022-09-04T14:38:26.707932Z",
"structure_string": "Cd4 Mo6 O16\n1.0\n6.342020 0.000000 0.000000\n-3.171010 5.492351 0.000000\n-0.000000 -0.000000 10.084897\nCd Mo O\n4 6 16\ndirect\n0.666667 0.333333 0.967285 Cd\n0.333333 0.666667 0.467285 Cd\n0.666667 0.333333 0.355625 Cd\n0.333333 0.666667 0.855625 Cd\n0.676418 0.838209 0.143249 Mo\n0.323582 0.161791 0.643249 Mo\n0.161791 0.838209 0.143249 Mo\n0.838209 0.161791 0.643249 Mo\n0.838209 0.676418 0.643249 Mo\n0.161791 0.323582 0.143249 Mo\n0.836696 0.673391 0.227969 O\n0.000000 0.000000 0.535823 O\n0.000000 0.000000 0.035823 O\n0.326608 0.163304 0.227969 O\n0.836696 0.163304 0.227969 O\n0.673391 0.836696 0.727969 O\n0.163304 0.836696 0.727969 O\n0.475178 0.950355 0.030394 O\n0.049645 0.524822 0.030394 O\n0.475178 0.524822 0.030394 O\n0.950355 0.475178 0.530394 O\n0.666667 0.333333 0.745034 O\n0.524822 0.475178 0.530394 O\n0.524822 0.049645 0.530394 O\n0.163304 0.326608 0.727969 O\n0.333333 0.666667 0.245034 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Cd",
"Mo",
"O"
],
"chemical_system": "Cd-Mo-O",
"density": 6.0566696742391635,
"density_atomic": 0.07401436027443481,
"volume": 351.28318212297813,
"volume_molar": 8.136449112943422,
"formula_full": "Cd4 Mo6 O16",
"formula_reduced": "Cd2Mo3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.035504246153846,
"spacegroup": 186
},
{
"id": "jvasp-118010",
"created_at": "2022-09-04T14:38:49.471498Z",
"updated_at": "2022-09-04T14:38:49.471527Z",
"structure_string": "Cd2 O1\n1.0\n3.420667 0.000000 0.008551\n0.000000 3.369041 0.000000\n-0.014895 0.000000 5.656222\nCd O\n2 1\ndirect\n-0.199940 0.000000 -0.141062 Cd\n0.299821 0.000000 0.454381 Cd\n0.300118 0.000000 0.086681 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.134762787390712,
"density_atomic": 0.046022992617322234,
"volume": 65.18480936137242,
"volume_molar": 13.08506991293168,
"formula_full": "Cd2 O1",
"formula_reduced": "Cd2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 25
},
{
"id": "jvasp-21103",
"created_at": "2022-09-04T14:38:31.956130Z",
"updated_at": "2022-09-04T14:38:31.956161Z",
"structure_string": "Cd4 Os4 O14\n1.0\n6.297765 0.000000 3.636016\n2.099255 5.937589 3.636016\n-0.000000 -0.000000 7.272032\nCd Os O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Cd\n-0.000000 0.500000 0.500000 Cd\n0.499999 0.500000 0.000001 Cd\n0.499999 0.500000 0.500001 Cd\n-0.000000 0.500000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.500000 -0.000000 0.000000 Os\n0.068311 0.681688 0.068313 O\n0.681688 0.068312 0.681689 O\n0.681688 0.068312 0.068313 O\n0.624999 0.625000 0.625001 O\n0.931687 0.318312 0.318313 O\n0.318311 0.931688 0.318313 O\n0.318311 0.318312 0.931688 O\n0.931687 0.931688 0.318313 O\n0.931687 0.318312 0.931689 O\n0.068311 0.681688 0.681689 O\n0.318311 0.931688 0.931689 O\n0.374999 0.375000 0.375001 O\n0.681687 0.681688 0.068313 O\n0.068312 0.068312 0.681688 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Os",
"O"
],
"chemical_system": "Cd-O-Os",
"density": 8.760201945397954,
"density_atomic": 0.08090405996308225,
"volume": 271.9270208446762,
"volume_molar": 7.44355816351861,
"formula_full": "Cd4 Os4 O14",
"formula_reduced": "Cd2Os2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.642984,
"spacegroup": 227
},
{
"id": "jvasp-86782",
"created_at": "2022-09-04T14:38:11.909448Z",
"updated_at": "2022-09-04T14:38:11.909469Z",
"structure_string": "Cd2 Os1 C6 N6\n1.0\n6.382181 -0.000000 0.000000\n-3.191091 5.527131 -0.000000\n-0.000000 0.000000 6.674901\nCd Os C N\n2 1 6 6\ndirect\n0.333333 0.666667 0.500031 Cd\n0.666667 0.333333 0.499969 Cd\n0.000000 0.000000 0.000000 Os\n0.999977 0.748645 0.816264 C\n0.251355 0.251333 0.816264 C\n0.748667 0.000023 0.816264 C\n0.251333 0.999977 0.183735 C\n0.748645 0.748667 0.183735 C\n0.000023 0.251355 0.183735 C\n0.612029 0.612046 0.303339 N\n0.000017 0.387971 0.303339 N\n0.612046 0.000017 0.696661 N\n0.387953 0.999983 0.303339 N\n0.999983 0.612029 0.696661 N\n0.387971 0.387953 0.696661 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Os",
"C",
"N"
],
"chemical_system": "C-Cd-N-Os",
"density": 4.028009086005454,
"density_atomic": 0.06370559195397242,
"volume": 235.45813703195108,
"volume_molar": 9.453080295291853,
"formula_full": "Cd2 Os1 C6 N6",
"formula_reduced": "Cd2Os(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.7479876,
"spacegroup": 162
},
{
"id": "jvasp-86180",
"created_at": "2022-09-04T14:35:46.591822Z",
"updated_at": "2022-09-04T14:35:46.591842Z",
"structure_string": "Cd2 Os1 C6 N6\n1.0\n6.381253 0.000000 0.000000\n-3.190626 5.526327 0.000000\n0.000000 0.000000 6.676646\nCd Os C N\n2 1 6 6\ndirect\n0.333333 0.666667 0.500073 Cd\n0.666667 0.333333 0.499928 Cd\n0.000000 0.000000 0.000000 Os\n0.999958 0.748627 0.816273 C\n0.251373 0.251332 0.816273 C\n0.748668 0.000042 0.816273 C\n0.251331 0.999959 0.183728 C\n0.748626 0.748669 0.183728 C\n0.000042 0.251374 0.183728 C\n0.612035 0.612082 0.303350 N\n0.000046 0.387965 0.303350 N\n0.612081 0.000046 0.696651 N\n0.387918 0.999955 0.303350 N\n0.999953 0.612036 0.696651 N\n0.387964 0.387919 0.696651 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Os",
"C",
"N"
],
"chemical_system": "C-Cd-N-Os",
"density": 4.028127903215336,
"density_atomic": 0.06370747112567444,
"volume": 235.4511917512752,
"volume_molar": 9.452801458906201,
"formula_full": "Cd2 Os1 C6 N6",
"formula_reduced": "Cd2Os(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.7479896,
"spacegroup": 162
},
{
"id": "jvasp-13005",
"created_at": "2022-09-04T14:36:59.525323Z",
"updated_at": "2022-09-04T14:36:59.525352Z",
"structure_string": "Cd4 P6 Br2\n1.0\n6.106035 0.001422 -0.737294\n-0.813020 6.051667 -0.737294\n-0.010057 -0.011502 7.604485\nCd P Br\n4 6 2\ndirect\n0.643987 0.350825 0.413091 Cd\n0.350825 0.643987 0.913090 Cd\n0.145516 0.852368 0.500297 Cd\n0.852368 0.145516 0.000297 Cd\n0.944879 0.551443 0.956663 P\n0.551443 0.944879 0.456663 P\n0.680515 0.585434 0.739054 P\n0.585434 0.680515 0.239055 P\n0.815799 0.910913 0.674292 P\n0.910914 0.815799 0.174292 P\n0.123240 0.373083 0.456604 Br\n0.373082 0.123241 0.956603 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"P",
"Br"
],
"chemical_system": "Br-Cd-P",
"density": 4.701316136569576,
"density_atomic": 0.04271924673686628,
"volume": 280.9038294592428,
"volume_molar": 14.097020008554955,
"formula_full": "Cd4 P6 Br2",
"formula_reduced": "Cd2P3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8766250175000001,
"spacegroup": 15
},
{
"id": "jvasp-85715",
"created_at": "2022-09-04T14:38:08.597317Z",
"updated_at": "2022-09-04T14:38:08.597335Z",
"structure_string": "Cd4 P6 Cl2\n1.0\n3.958292 4.547958 -0.768893\n-3.958292 4.547958 0.768893\n-0.011748 0.000000 7.622518\nCd P Cl\n4 6 2\ndirect\n0.897844 0.404907 0.795600 Cd\n0.404907 0.897844 0.704400 Cd\n0.102156 0.595094 0.204400 Cd\n0.595094 0.102156 0.295600 Cd\n0.335292 0.570187 0.530929 P\n0.570187 0.335292 0.969071 P\n0.664708 0.429813 0.469071 P\n0.429813 0.664708 0.030929 P\n0.303324 0.303324 0.750000 P\n0.696676 0.696676 0.250000 P\n0.866340 0.866340 0.750000 Cl\n0.133661 0.133661 0.250000 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"P",
"Cl"
],
"chemical_system": "Cd-Cl-P",
"density": 4.275358446006411,
"density_atomic": 0.04373796337745695,
"volume": 274.36119730679866,
"volume_molar": 13.768681243863952,
"formula_full": "Cd4 P6 Cl2",
"formula_reduced": "Cd2P3Cl",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0983874027777778,
"spacegroup": 15
},
{
"id": "jvasp-13004",
"created_at": "2022-09-04T14:37:02.086348Z",
"updated_at": "2022-09-04T14:37:02.086371Z",
"structure_string": "Cd4 P6 I2\n1.0\n6.251130 0.018549 -0.708276\n-0.844975 6.193786 -0.708276\n0.000739 0.000850 7.595452\nCd P I\n4 6 2\ndirect\n0.143310 0.856253 0.494359 Cd\n0.638179 0.350987 0.421000 Cd\n0.350988 0.638179 0.920999 Cd\n0.856253 0.143310 0.994359 Cd\n0.942830 0.551478 0.957658 P\n0.681565 0.588817 0.743520 P\n0.588817 0.681564 0.243520 P\n0.551478 0.942830 0.457658 P\n0.905508 0.812726 0.171815 P\n0.812726 0.905508 0.671815 P\n0.367131 0.127222 0.957644 I\n0.127222 0.367131 0.457644 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"P",
"I"
],
"chemical_system": "Cd-I-P",
"density": 5.019263544492572,
"density_atomic": 0.040787402404320015,
"volume": 294.2084882250068,
"volume_molar": 14.764707740648282,
"formula_full": "Cd4 P6 I2",
"formula_reduced": "Cd2P3I",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1039696250000002,
"spacegroup": 15
},
{
"id": "jvasp-40485",
"created_at": "2022-09-04T14:38:06.636851Z",
"updated_at": "2022-09-04T14:38:06.636869Z",
"structure_string": "Cd4 Pb2 O8\n1.0\n3.348833 -0.000169 -0.000169\n0.000295 5.756134 -0.000577\n0.000498 0.001087 10.082265\nCd Pb O\n4 2 8\ndirect\n0.500001 0.936923 0.323381 Cd\n0.500005 0.563077 0.823382 Cd\n0.499996 0.436921 0.176617 Cd\n0.500000 0.063078 0.676619 Cd\n-0.000001 0.000000 0.000001 Pb\n0.000001 0.499996 0.500001 Pb\n0.000000 0.861672 0.797707 O\n0.500000 0.750423 0.036245 O\n0.500001 0.749576 0.536245 O\n-0.000003 0.638327 0.297708 O\n0.000006 0.361674 0.702291 O\n0.500001 0.250426 0.463756 O\n0.500000 0.249576 0.963756 O\n0.000001 0.138327 0.202293 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Pb",
"O"
],
"chemical_system": "Cd-O-Pb",
"density": 8.476087467510986,
"density_atomic": 0.07203532741194905,
"volume": 194.34908541385641,
"volume_molar": 8.359982492425043,
"formula_full": "Cd4 Pb2 O8",
"formula_reduced": "Cd2PbO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8323320457142851,
"spacegroup": 55
},
{
"id": "jvasp-59151",
"created_at": "2022-09-04T14:38:34.014706Z",
"updated_at": "2022-09-04T14:38:34.014738Z",
"structure_string": "Cd8 P4 Cl8\n1.0\n0.000000 7.805580 -0.016001\n9.042126 0.000000 0.000000\n0.000000 -3.987420 -6.972719\nCd P Cl\n8 4 8\ndirect\n0.432873 0.423802 0.727337 Cd\n0.567127 0.923802 0.772663 Cd\n0.567127 0.576199 0.272662 Cd\n0.432873 0.076198 0.227337 Cd\n0.973212 0.296971 0.795238 Cd\n0.026788 0.796972 0.704762 Cd\n0.026788 0.703029 0.204762 Cd\n0.973212 0.203029 0.295238 Cd\n0.068213 0.391725 0.557590 P\n0.931787 0.608275 0.442410 P\n0.068213 0.108275 0.057590 P\n0.931787 0.891726 0.942410 P\n0.240380 0.033162 0.694285 Cl\n0.240380 0.466839 0.194285 Cl\n0.759620 0.533162 0.805715 Cl\n0.759620 0.966839 0.305715 Cl\n0.580642 0.199071 0.575032 Cl\n0.419358 0.699071 0.924968 Cl\n0.419358 0.800929 0.424968 Cl\n0.580642 0.300929 0.075032 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"P",
"Cl"
],
"chemical_system": "Cd-Cl-P",
"density": 4.404269149003444,
"density_atomic": 0.04059226464990717,
"volume": 492.7047104292501,
"volume_molar": 14.835685596599921,
"formula_full": "Cd8 P4 Cl8",
"formula_reduced": "Cd2PCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1908343666666668,
"spacegroup": 14
}
]
}