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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=956",
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"results": [
{
"id": "jvasp-119709",
"created_at": "2022-09-04T14:38:52.236571Z",
"updated_at": "2022-09-04T14:38:52.236607Z",
"structure_string": "Li8 Mo6 O16\n1.0\n5.552464 -0.005075 9.683496\n2.575369 4.919081 9.683496\n-0.008395 -0.005075 11.162432\nLi Mo O\n8 6 16\ndirect\n0.245519 0.245518 0.245519 Li\n0.174145 0.174145 0.174145 Li\n0.825856 0.825853 0.825856 Li\n0.684629 0.684627 0.684629 Li\n0.754482 0.754480 0.754482 Li\n0.000000 0.000000 0.000000 Li\n0.500001 0.499999 0.500001 Li\n0.315372 0.315371 0.315372 Li\n0.267974 0.267972 0.714594 Mo\n0.732028 0.285405 0.732028 Mo\n0.285408 0.732026 0.732027 Mo\n0.267973 0.714593 0.267974 Mo\n0.732027 0.732026 0.285408 Mo\n0.714594 0.267972 0.267974 Mo\n0.113006 0.622162 0.113006 O\n0.377839 0.886993 0.886995 O\n0.871588 0.379643 0.379645 O\n0.886995 0.886993 0.377839 O\n0.116061 0.116061 0.116061 O\n0.627895 0.627893 0.627895 O\n0.379645 0.871587 0.379645 O\n0.622162 0.113005 0.113006 O\n0.379645 0.379643 0.871588 O\n0.883940 0.883937 0.883940 O\n0.113006 0.113005 0.622162 O\n0.886995 0.377836 0.886995 O\n0.620356 0.620355 0.128413 O\n0.372106 0.372105 0.372106 O\n0.128413 0.620355 0.620356 O\n0.620356 0.128411 0.620356 O\n",
"nsites": 30,
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"elements": [
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],
"chemical_system": "Li-Mo-O",
"density": 4.820991720961248,
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"volume": 305.5722280246145,
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"formula_full": "Li8 Mo6 O16",
"formula_reduced": "Li4Mo3O8",
"formula_anonymous": "A3B4C8",
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"spacegroup": 166
},
{
"id": "jvasp-52944",
"created_at": "2022-09-04T14:36:41.134291Z",
"updated_at": "2022-09-04T14:36:41.134312Z",
"structure_string": "Li4 Mo1 O5\n1.0\n4.214876 0.000789 0.000276\n-2.106593 -4.585937 -0.001827\n-2.107175 0.001412 -4.585683\nLi Mo O\n4 1 5\ndirect\n0.811336 0.412551 0.215404 Li\n0.595696 0.785460 0.411226 Li\n0.399893 0.216752 0.588331 Li\n0.184225 0.589644 0.784121 Li\n0.952614 0.001099 0.999775 Mo\n0.291526 0.365578 0.186501 O\n0.104793 0.814379 0.364242 O\n0.927042 0.187814 0.635305 O\n0.740323 0.636619 0.813047 O\n0.518478 0.001103 0.999775 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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],
"chemical_system": "Li-Mo-O",
"density": 3.816591632382948,
"density_atomic": 0.11283229852377301,
"volume": 88.62710527777706,
"volume_molar": 5.337249031341123,
"formula_full": "Li4 Mo1 O5",
"formula_reduced": "Li4MoO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 2.26233934,
"spacegroup": 79
},
{
"id": "jvasp-114329",
"created_at": "2022-09-04T14:38:40.489532Z",
"updated_at": "2022-09-04T14:38:40.489548Z",
"structure_string": "Li1 Mo1 O1\n1.0\n5.463010 -1.630089 0.000000\n-4.102600 3.959215 0.000000\n0.000000 0.000000 2.599085\nLi Mo O\n1 1 1\ndirect\n0.287877 0.045549 0.000000 Li\n0.038017 0.295198 0.000000 Mo\n0.674107 0.659254 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O",
"density": 5.083243951377589,
"density_atomic": 0.07725077625039947,
"volume": 38.834561225324734,
"volume_molar": 7.795573135058122,
"formula_full": "Li1 Mo1 O1",
"formula_reduced": "LiMoO",
"formula_anonymous": "ABC",
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"spacegroup": 38
},
{
"id": "jvasp-52797",
"created_at": "2022-09-04T14:36:03.734929Z",
"updated_at": "2022-09-04T14:36:03.734958Z",
"structure_string": "Li4 Mo2 O6\n1.0\n4.968185 -0.052724 -0.090047\n0.773105 5.172585 -0.041956\n2.369631 1.295441 4.167810\nLi Mo O\n4 2 6\ndirect\n0.972886 0.986750 0.026309 Li\n0.360384 0.013251 0.307055 Li\n0.666673 0.000005 0.666655 Li\n0.666675 0.500001 0.166664 Li\n0.025656 0.497823 0.523401 Mo\n0.307695 0.502176 0.809928 Mo\n0.312088 0.728054 0.101603 O\n0.021260 0.271949 0.231728 O\n0.660625 0.726045 0.441402 O\n0.343611 0.233591 0.579139 O\n-0.010263 0.766410 0.754181 O\n0.672723 0.273954 0.891925 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O",
"density": 4.827847877594626,
"density_atomic": 0.1105333011748411,
"volume": 108.56456717074298,
"volume_molar": 5.4482592087557435,
"formula_full": "Li4 Mo2 O6",
"formula_reduced": "Li2MoO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.3298110666666663,
"spacegroup": 2
},
{
"id": "jvasp-109219",
"created_at": "2022-09-04T14:38:20.337608Z",
"updated_at": "2022-09-04T14:38:20.337624Z",
"structure_string": "Li4 Mo1 O5\n1.0\n4.978270 0.010509 -0.881597\n-3.498584 3.541637 -0.881597\n-0.004378 -0.010509 5.055726\nLi Mo O\n4 1 5\ndirect\n0.816292 0.601466 0.411273 Li\n0.601465 0.190192 0.785174 Li\n0.405020 0.816292 0.214826 Li\n0.190193 0.405019 0.588727 Li\n0.049198 0.049198 -0.000000 Mo\n0.259674 0.073361 0.363657 O\n0.073362 0.709704 0.813687 O\n0.896018 0.259675 0.186313 O\n0.709704 0.896018 0.636343 O\n0.480780 0.480780 -0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O",
"density": 3.7907039916830807,
"density_atomic": 0.112066965922103,
"volume": 89.23236136285632,
"volume_molar": 5.373698404743061,
"formula_full": "Li4 Mo1 O5",
"formula_reduced": "Li4MoO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 2.25953034,
"spacegroup": 79
},
{
"id": "jvasp-7895",
"created_at": "2022-09-04T14:37:04.157355Z",
"updated_at": "2022-09-04T14:37:04.157368Z",
"structure_string": "Li1 Mo1 O2\n1.0\n2.896157 0.136021 4.780165\n1.438149 2.517531 4.780165\n0.222176 0.136021 5.584653\nLi Mo O\n1 1 2\ndirect\n0.500004 0.500001 0.499996 Li\n0.000000 0.000000 0.000000 Mo\n0.246490 0.246484 0.246488 O\n0.753517 0.753513 0.753508 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mo",
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],
"chemical_system": "Li-Mo-O",
"density": 6.1958486170582185,
"density_atomic": 0.11065340403075999,
"volume": 36.14891051058908,
"volume_molar": 5.442345685385274,
"formula_full": "Li1 Mo1 O2",
"formula_reduced": "LiMoO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.355368225,
"spacegroup": 166
},
{
"id": "jvasp-13312",
"created_at": "2022-09-04T14:37:10.691810Z",
"updated_at": "2022-09-04T14:37:10.691833Z",
"structure_string": "Li4 Mo4 O8\n1.0\n0.000000 5.830655 0.356846\n5.256618 0.000000 0.000000\n0.000000 -2.876910 -5.032696\nLi Mo O\n4 4 8\ndirect\n0.748921 0.002672 0.260936 Li\n0.248921 0.497328 0.260936 Li\n0.751080 0.502672 0.739064 Li\n0.251080 -0.002672 0.739064 Li\n0.719134 0.503031 0.225000 Mo\n0.219133 -0.003030 0.225000 Mo\n0.780868 0.003030 0.775000 Mo\n0.280867 0.496970 0.775000 Mo\n0.580156 0.765324 0.409987 O\n0.404677 0.238056 0.091259 O\n0.919845 0.265324 0.590013 O\n0.095324 0.738056 0.908741 O\n0.904677 0.261944 0.091259 O\n0.080156 0.734677 0.409987 O\n0.595324 0.761944 0.908741 O\n0.419845 0.234676 0.590013 O\n",
"nsites": 16,
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"elements": [
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O",
"density": 6.01863128472413,
"density_atomic": 0.1074884298217342,
"volume": 148.85323031079196,
"volume_molar": 5.6025944094517985,
"formula_full": "Li4 Mo4 O8",
"formula_reduced": "LiMoO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.387910725,
"spacegroup": 14
},
{
"id": "jvasp-12704",
"created_at": "2022-09-04T14:38:08.644006Z",
"updated_at": "2022-09-04T14:38:08.644034Z",
"structure_string": "Li2 Mo4 O8\n1.0\n5.285096 -0.001100 3.049572\n1.906941 4.779481 2.801588\n0.144868 -0.201441 5.853769\nLi Mo O\n2 4 8\ndirect\n0.124983 0.125012 0.125012 Li\n0.874972 0.875036 0.874996 Li\n0.502333 0.479854 0.479851 Mo\n0.479854 0.037954 0.502336 Mo\n0.037972 0.479857 0.479850 Mo\n0.479854 0.502325 0.037960 Mo\n0.220072 0.296633 0.763237 O\n0.712057 0.751087 0.751084 O\n0.751099 0.712043 0.285770 O\n0.220082 0.763235 0.296622 O\n0.296638 0.220054 0.220074 O\n0.285772 0.751084 0.751093 O\n0.751088 0.285777 0.712048 O\n0.763232 0.220054 0.220067 O\n",
"nsites": 14,
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"elements": [
"Li",
"Mo",
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],
"chemical_system": "Li-Mo-O",
"density": 5.914445440019398,
"density_atomic": 0.0948651886837992,
"volume": 147.57784382492753,
"volume_molar": 6.34810391836436,
"formula_full": "Li2 Mo4 O8",
"formula_reduced": "Li(MoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.3347922571428565,
"spacegroup": 119
},
{
"id": "jvasp-122116",
"created_at": "2022-09-04T14:38:54.657836Z",
"updated_at": "2022-09-04T14:38:54.657866Z",
"structure_string": "Li2 Nd2 Mo4 O16\n1.0\n5.939391 0.000000 0.000000\n-0.000000 4.674112 1.846662\n-0.000000 -0.042830 10.990545\nLi Nd Mo O\n2 2 4 16\ndirect\n0.788273 0.000000 0.750000 Li\n0.211727 0.000000 0.250000 Li\n0.288041 0.500000 0.750000 Nd\n0.711958 0.500000 0.250000 Nd\n0.816186 0.734931 0.527114 Mo\n0.183814 0.265068 0.472885 Mo\n0.816186 0.265068 0.972885 Mo\n0.183814 0.734931 0.027114 Mo\n0.365745 0.210551 0.356818 O\n0.634255 0.789448 0.643181 O\n0.073874 0.624651 0.380589 O\n0.926126 0.375348 0.619410 O\n0.073874 0.375348 0.119410 O\n0.926126 0.624651 0.880589 O\n0.628391 0.699454 0.408811 O\n0.105534 0.874712 0.594265 O\n0.628391 0.300545 0.091188 O\n0.371609 0.699454 0.908811 O\n0.634255 0.210551 0.856818 O\n0.894466 0.125287 0.405734 O\n0.105534 0.125287 0.905734 O\n0.894466 0.874712 0.094265 O\n0.371609 0.300545 0.591188 O\n0.365745 0.789448 0.143181 O\n",
"nsites": 24,
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"elements": [
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"Nd",
"Mo",
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],
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"density": 5.119473055386763,
"density_atomic": 0.07853854330667577,
"volume": 305.58244384907,
"volume_molar": 7.667752044349566,
"formula_full": "Li2 Nd2 Mo4 O16",
"formula_reduced": "LiNd(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": null,
"spacegroup": 13
},
{
"id": "jvasp-105943",
"created_at": "2022-09-04T14:36:06.278201Z",
"updated_at": "2022-09-04T14:36:06.278229Z",
"structure_string": "Li1 Mo1 N2\n1.0\n2.804866 -0.000038 4.807360\n1.299865 2.485483 4.807360\n-0.000063 -0.000038 5.565787\nLi Mo N\n1 1 2\ndirect\n0.413399 0.413396 0.413396 Li\n0.585876 0.585871 0.585871 Mo\n0.842495 0.842488 0.842489 N\n0.996945 0.996937 0.996938 N\n",
"nsites": 4,
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"elements": [
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"Mo",
"N"
],
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"density": 5.601522533031231,
"density_atomic": 0.10308510425467639,
"volume": 38.80289037801058,
"volume_molar": 5.841911693780733,
"formula_full": "Li1 Mo1 N2",
"formula_reduced": "LiMoN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0703856,
"spacegroup": 160
},
{
"id": "jvasp-14278",
"created_at": "2022-09-04T14:36:36.980497Z",
"updated_at": "2022-09-04T14:36:36.980523Z",
"structure_string": "Li1 Mn1 Te2\n1.0\n2.100010 -3.637324 0.000000\n2.100010 3.637324 -0.000000\n0.000000 -0.000000 7.225760\nLi Mn Te\n1 1 2\ndirect\n0.666667 0.333333 0.200239 Li\n-0.000000 0.000000 0.653775 Mn\n-0.000000 0.000000 0.004171 Te\n0.333333 0.666667 0.489116 Te\n",
"nsites": 4,
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"elements": [
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"Mn",
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],
"chemical_system": "Li-Mn-Te",
"density": 4.769795501919348,
"density_atomic": 0.03623623871946466,
"volume": 110.38673276681334,
"volume_molar": 16.619111068956357,
"formula_full": "Li1 Mn1 Te2",
"formula_reduced": "LiMnTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6129531936781607,
"spacegroup": 156
},
{
"id": "jvasp-16805",
"created_at": "2022-09-04T14:38:32.372229Z",
"updated_at": "2022-09-04T14:38:32.372245Z",
"structure_string": "Li1 Mn1 Te2\n1.0\n2.100010 -3.637324 0.000000\n2.100010 3.637324 -0.000000\n0.000000 -0.000000 7.225760\nLi Mn Te\n1 1 2\ndirect\n0.666667 0.333333 0.200239 Li\n-0.000000 0.000000 0.653775 Mn\n-0.000000 0.000000 0.004171 Te\n0.333333 0.666667 0.489116 Te\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.769795501919348,
"density_atomic": 0.03623623871946466,
"volume": 110.38673276681334,
"volume_molar": 16.619111068956357,
"formula_full": "Li1 Mn1 Te2",
"formula_reduced": "LiMnTe2",
"formula_anonymous": "ABC2",
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"spacegroup": 156
}
]
}