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=id&page=4415",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4413",
"results": [
{
"id": "jvasp-94097",
"created_at": "2022-09-04T14:35:51.000764Z",
"updated_at": "2022-09-04T14:35:51.000781Z",
"structure_string": "Mg6 Ni1 W1\n1.0\n6.136312 -0.166949 0.000000\n-3.212739 5.230727 0.000000\n0.000000 0.000000 4.702060\nMg Ni W\n6 1 1\ndirect\n0.177174 0.846957 0.250000 Mg\n0.653043 0.322826 0.250000 Mg\n0.673971 0.826029 0.250000 Mg\n0.321924 0.666534 0.750000 Mg\n0.833466 0.178076 0.750000 Mg\n0.829717 0.670283 0.750000 Mg\n0.199780 0.300220 0.250000 Ni\n0.310925 0.189075 0.750000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"W"
],
"chemical_system": "Mg-Ni-W",
"density": 4.345585931620706,
"density_atomic": 0.05390771668790484,
"volume": 148.40175936805988,
"volume_molar": 11.171203549326316,
"formula_full": "Mg6 Ni1 W1",
"formula_reduced": "Mg6NiW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5872770875,
"spacegroup": 38
},
{
"id": "jvasp-94098",
"created_at": "2022-09-04T14:35:54.227460Z",
"updated_at": "2022-09-04T14:35:54.227494Z",
"structure_string": "Hf1 Mg6 Ni1\n1.0\n6.331126 -0.159304 0.000000\n-3.303525 5.403263 0.000000\n0.000000 0.000000 4.806785\nHf Mg Ni\n1 6 1\ndirect\n0.307808 0.192192 0.749999 Hf\n0.175961 0.837916 0.250000 Mg\n0.662085 0.324040 0.250000 Mg\n0.674878 0.825123 0.250000 Mg\n0.319026 0.671315 0.749999 Mg\n0.828686 0.180976 0.749999 Mg\n0.833808 0.666193 0.749999 Mg\n0.197755 0.302245 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Ni"
],
"chemical_system": "Hf-Mg-Ni",
"density": 3.9282976197120743,
"density_atomic": 0.04941187169170443,
"volume": 161.90441135106988,
"volume_molar": 12.187639435263556,
"formula_full": "Hf1 Mg6 Ni1",
"formula_reduced": "HfMg6Ni",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2129237124999999,
"spacegroup": 38
},
{
"id": "jvasp-94099",
"created_at": "2022-09-04T14:35:57.383597Z",
"updated_at": "2022-09-04T14:35:57.383616Z",
"structure_string": "Mg6 Ni1 B1\n1.0\n5.777366 -1.409222 0.000000\n-4.109157 7.116963 0.000000\n0.000000 0.000000 4.061230\nMg Ni B\n6 1 1\ndirect\n0.777364 0.379215 0.250000 Mg\n0.777348 0.898138 0.250000 Mg\n0.263090 0.056490 0.750000 Mg\n0.263103 0.706608 0.750000 Mg\n0.931708 0.215853 0.750000 Mg\n0.666199 0.583091 0.750000 Mg\n0.289714 0.394863 0.250000 Ni\n0.031476 0.765744 0.250000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"B"
],
"chemical_system": "B-Mg-Ni",
"density": 2.492316900131696,
"density_atomic": 0.05576102358492375,
"volume": 143.46938929153697,
"volume_molar": 10.799910713310904,
"formula_full": "Mg6 Ni1 B1",
"formula_reduced": "Mg6NiB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0803824104166666,
"spacegroup": 38
},
{
"id": "jvasp-9410",
"created_at": "2022-09-04T14:37:14.879389Z",
"updated_at": "2022-09-04T14:37:14.879414Z",
"structure_string": "Cd2 Ga4 O8\n1.0\n5.335623 -0.000000 3.080523\n1.778541 5.030473 3.080523\n-0.000000 -0.000000 6.161046\nCd Ga O\n2 4 8\ndirect\n0.875000 0.874999 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.500000 0.000000 0.500000 Ga\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.732037 0.732037 0.732038 O\n0.267962 0.267962 0.696114 O\n0.267962 0.696113 0.267962 O\n0.696113 0.267962 0.267962 O\n0.732037 0.303886 0.732038 O\n0.303886 0.732037 0.732038 O\n0.267962 0.267962 0.267963 O\n0.732037 0.732037 0.303886 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Ga",
"O"
],
"chemical_system": "Cd-Ga-O",
"density": 6.343338533964983,
"density_atomic": 0.0846602654738899,
"volume": 165.36683320840453,
"volume_molar": 7.1133024758318175,
"formula_full": "Cd2 Ga4 O8",
"formula_reduced": "Cd(GaO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8627526285714284,
"spacegroup": 227
},
{
"id": "jvasp-94100",
"created_at": "2022-09-04T14:35:59.583820Z",
"updated_at": "2022-09-04T14:35:59.583846Z",
"structure_string": "Mg6 Cr1 Ni1\n1.0\n5.823548 0.676763 0.000000\n-2.325680 5.381722 0.000000\n0.000000 0.000000 4.620110\nMg Cr Ni\n6 1 1\ndirect\n0.133091 0.901481 0.250000 Mg\n0.598518 0.366909 0.250000 Mg\n0.618932 0.881068 0.250000 Mg\n0.345549 0.580765 0.750000 Mg\n0.919235 0.154450 0.750000 Mg\n0.871315 0.628684 0.750000 Mg\n0.399150 0.100849 0.750000 Cr\n0.114211 0.385789 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Ni"
],
"chemical_system": "Cr-Mg-Ni",
"density": 2.801095511626162,
"density_atomic": 0.052607591887700984,
"volume": 152.0693062149135,
"volume_molar": 11.447284591271899,
"formula_full": "Mg6 Cr1 Ni1",
"formula_reduced": "Mg6CrNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1233980125,
"spacegroup": 38
},
{
"id": "jvasp-94101",
"created_at": "2022-09-04T14:36:02.454130Z",
"updated_at": "2022-09-04T14:36:02.454146Z",
"structure_string": "Mg6 Nb1 Ni1\n1.0\n6.243670 -0.189655 0.000000\n-3.286081 5.312348 0.000000\n0.000000 0.000000 4.757366\nMg Nb Ni\n6 1 1\ndirect\n0.178373 0.842903 0.250000 Mg\n0.657097 0.321626 0.250000 Mg\n0.675977 0.824023 0.250000 Mg\n0.320293 0.669072 0.750001 Mg\n0.830928 0.179706 0.750001 Mg\n0.831300 0.668699 0.750001 Mg\n0.308163 0.191837 0.750001 Nb\n0.197870 0.302130 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Ni"
],
"chemical_system": "Mg-Nb-Ni",
"density": 3.189909447433786,
"density_atomic": 0.051669563715479136,
"volume": 154.8300280616336,
"volume_molar": 11.655102785773844,
"formula_full": "Mg6 Nb1 Ni1",
"formula_reduced": "Mg6NbNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2220382624999999,
"spacegroup": 38
},
{
"id": "jvasp-94102",
"created_at": "2022-09-04T14:36:04.474186Z",
"updated_at": "2022-09-04T14:36:04.474219Z",
"structure_string": "Mg6 Cr1 Ni1\n1.0\n6.061844 0.012680 0.000000\n-3.019940 5.230690 0.000000\n0.000000 0.000000 4.793545\nMg Cr Ni\n6 1 1\ndirect\n0.664237 0.333043 0.250000 Mg\n0.664237 0.831193 0.250000 Mg\n0.324070 0.166837 0.749999 Mg\n0.324070 0.657234 0.749999 Mg\n0.854622 0.177312 0.749999 Mg\n0.845555 0.672779 0.749999 Mg\n0.162859 0.831428 0.250000 Cr\n0.160348 0.330173 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Ni"
],
"chemical_system": "Cr-Mg-Ni",
"density": 2.799140906342175,
"density_atomic": 0.05257088229438125,
"volume": 152.17549432026627,
"volume_molar": 11.4552780877403,
"formula_full": "Mg6 Cr1 Ni1",
"formula_reduced": "Mg6CrNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1253605125,
"spacegroup": 38
},
{
"id": "jvasp-94104",
"created_at": "2022-09-04T14:36:08.115372Z",
"updated_at": "2022-09-04T14:36:08.115400Z",
"structure_string": "Mg6 Ni1 Mo1\n1.0\n6.083056 0.138986 0.000000\n-2.921163 5.059602 0.000000\n0.000000 0.000000 4.725323\nMg Ni Mo\n6 1 1\ndirect\n0.650026 0.325968 0.250000 Mg\n0.650026 0.824057 0.250000 Mg\n0.329022 0.159746 0.750000 Mg\n0.329022 0.669277 0.750000 Mg\n0.874829 0.187415 0.750000 Mg\n0.853153 0.676577 0.750000 Mg\n0.167463 0.333731 0.250000 Ni\n0.146465 0.823231 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"Mo"
],
"chemical_system": "Mg-Mo-Ni",
"density": 3.3859421873409055,
"density_atomic": 0.05429112621220631,
"volume": 147.35373086074156,
"volume_molar": 11.09231135943177,
"formula_full": "Mg6 Ni1 Mo1",
"formula_reduced": "Mg6NiMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3067015749999999,
"spacegroup": 38
},
{
"id": "jvasp-94106",
"created_at": "2022-09-04T14:36:10.585291Z",
"updated_at": "2022-09-04T14:36:10.585324Z",
"structure_string": "Mg6 Ti1 Ni1\n1.0\n6.248836 -0.142753 0.000000\n-3.248046 5.340274 0.000000\n0.000000 0.000000 4.737939\nMg Ti Ni\n6 1 1\ndirect\n0.175454 0.844163 0.250000 Mg\n0.655836 0.324545 0.250000 Mg\n0.672451 0.827549 0.250000 Mg\n0.319758 0.663778 0.750000 Mg\n0.836223 0.180241 0.750000 Mg\n0.832990 0.667010 0.750000 Mg\n0.308668 0.191332 0.750000 Ti\n0.198620 0.301380 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Ni"
],
"chemical_system": "Mg-Ni-Ti",
"density": 2.688106318884848,
"density_atomic": 0.05131147503475341,
"volume": 155.91054427068363,
"volume_molar": 11.736440544578356,
"formula_full": "Mg6 Ti1 Ni1",
"formula_reduced": "Mg6TiNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94108",
"created_at": "2022-09-04T14:36:12.414983Z",
"updated_at": "2022-09-04T14:36:12.414993Z",
"structure_string": "Mg6 Ni1 C1\n1.0\n6.631148 0.667968 0.000000\n-2.737097 6.076726 0.000000\n0.000000 0.000000 3.454811\nMg Ni C\n6 1 1\ndirect\n0.221747 0.929606 0.250000 Mg\n0.570394 0.278253 0.250000 Mg\n0.647103 0.852898 0.250000 Mg\n0.339213 0.512990 0.750000 Mg\n0.987010 0.160788 0.750000 Mg\n0.867266 0.632735 0.750000 Mg\n0.028405 0.471595 0.250000 Ni\n0.338860 0.161141 0.750000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"C"
],
"chemical_system": "C-Mg-Ni",
"density": 2.470710629849706,
"density_atomic": 0.05497135904349493,
"volume": 145.5303295970938,
"volume_molar": 10.955051621036162,
"formula_full": "Mg6 Ni1 C1",
"formula_reduced": "Mg6NiC",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3086683374999999,
"spacegroup": 38
},
{
"id": "jvasp-94109",
"created_at": "2022-09-04T14:36:15.377880Z",
"updated_at": "2022-09-04T14:36:15.377900Z",
"structure_string": "Mg6 Ni1 Sn1\n1.0\n6.380955 -0.127725 0.000000\n-3.301089 5.462205 0.000000\n0.000000 0.000000 4.807747\nMg Ni Sn\n6 1 1\ndirect\n0.169336 0.817077 0.250000 Mg\n0.682924 0.330666 0.250000 Mg\n0.670438 0.829563 0.250000 Mg\n0.329404 0.639905 0.750000 Mg\n0.860096 0.170597 0.750000 Mg\n0.832673 0.667329 0.750000 Mg\n0.121937 0.378064 0.250000 Ni\n0.333192 0.166809 0.750000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"Sn"
],
"chemical_system": "Mg-Ni-Sn",
"density": 3.2423191596118466,
"density_atomic": 0.048325952391739514,
"volume": 165.54252123476954,
"volume_molar": 12.461504558013388,
"formula_full": "Mg6 Ni1 Sn1",
"formula_reduced": "Mg6NiSn",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-9411",
"created_at": "2022-09-04T14:37:14.688135Z",
"updated_at": "2022-09-04T14:37:14.688157Z",
"structure_string": "Er2 Ta2 O8\n1.0\n0.000000 5.109629 -0.002579\n5.435859 0.000000 0.000000\n0.000000 -0.584939 -5.265913\nEr Ta O\n2 2 8\ndirect\n-0.000000 0.765495 0.250000 Er\n-0.000000 0.234506 0.750000 Er\n0.500000 0.698025 0.750000 Ta\n0.500000 0.301976 0.250000 Ta\n0.265188 0.562337 0.992085 O\n0.734812 0.562337 0.507914 O\n0.734812 0.437664 0.007915 O\n0.265188 0.437664 0.492085 O\n0.751060 0.078907 0.404452 O\n0.248940 0.078907 0.095548 O\n0.248940 0.921094 0.595547 O\n0.751060 0.921094 0.904452 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Ta",
"O"
],
"chemical_system": "Er-O-Ta",
"density": 9.359145983387105,
"density_atomic": 0.0820400028522106,
"volume": 146.27010705517858,
"volume_molar": 7.340493113887955,
"formula_full": "Er2 Ta2 O8",
"formula_reduced": "ErTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.688485533333333,
"spacegroup": 13
}
]
}