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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=1246",
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"results": [
{
"id": "jvasp-52528",
"created_at": "2022-09-04T14:38:06.774219Z",
"updated_at": "2022-09-04T14:38:06.774244Z",
"structure_string": "Li4 Sb4 O12\n1.0\n5.987931 0.000000 -0.000000\n0.000000 5.987931 0.000000\n-0.000000 -0.000000 5.987931\nLi Sb O\n4 4 12\ndirect\n0.873985 0.873985 0.873985 Li\n0.626014 0.126014 0.373985 Li\n0.373985 0.626014 0.126014 Li\n0.126014 0.373985 0.626014 Li\n0.091097 0.908903 0.408903 Sb\n0.408903 0.091097 0.908903 Sb\n0.591097 0.591097 0.591097 Sb\n0.908903 0.408903 0.091097 Sb\n0.773057 0.864922 0.514558 O\n0.726943 0.135078 0.014558 O\n0.635078 0.485442 0.273057 O\n0.485442 0.273057 0.635078 O\n0.514558 0.773057 0.864922 O\n0.135078 0.014558 0.726943 O\n0.273057 0.635078 0.485442 O\n0.226943 0.364922 0.985441 O\n0.864922 0.514558 0.773057 O\n0.985441 0.226943 0.364922 O\n0.364922 0.985441 0.226943 O\n0.014558 0.726943 0.135078 O\n",
"nsites": 20,
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"elements": [
"Li",
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"O"
],
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"density": 5.466549818236633,
"density_atomic": 0.0931535980025659,
"volume": 214.69916813571822,
"volume_molar": 6.464743057841009,
"formula_full": "Li4 Sb4 O12",
"formula_reduced": "LiSbO3",
"formula_anonymous": "ABC3",
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"spacegroup": 198
},
{
"id": "jvasp-45993",
"created_at": "2022-09-04T14:38:07.488337Z",
"updated_at": "2022-09-04T14:38:07.488357Z",
"structure_string": "Rb12 Sb4 O12\n1.0\n8.716388 -0.000000 0.000000\n-0.000000 8.716388 -0.000000\n-0.000000 -0.000000 8.716388\nRb Sb O\n12 4 12\ndirect\n0.025915 0.025915 0.025915 Rb\n0.213892 0.286108 0.713892 Rb\n0.217681 0.717682 0.782319 Rb\n0.282319 0.282319 0.282319 Rb\n0.286108 0.713892 0.213892 Rb\n0.474085 0.974085 0.525915 Rb\n0.525915 0.474085 0.974085 Rb\n0.713892 0.213892 0.286108 Rb\n0.717682 0.782319 0.217681 Rb\n0.782319 0.217681 0.717682 Rb\n0.786108 0.786108 0.786108 Rb\n0.974085 0.525915 0.474085 Rb\n0.987266 0.487266 0.012735 Sb\n0.512735 0.512735 0.512735 Sb\n0.487266 0.012735 0.987266 Sb\n0.012735 0.987266 0.487266 Sb\n0.006186 0.209400 0.444224 O\n0.055776 0.993815 0.709400 O\n0.209400 0.444224 0.006186 O\n0.290600 0.555776 0.506186 O\n0.444224 0.006186 0.209400 O\n0.493814 0.790601 0.944224 O\n0.506186 0.290600 0.555776 O\n0.555776 0.506186 0.290600 O\n0.709400 0.055776 0.993815 O\n0.790601 0.944224 0.493814 O\n0.944224 0.493814 0.790601 O\n0.993815 0.709400 0.055776 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"O"
],
"chemical_system": "O-Rb-Sb",
"density": 4.274386019797726,
"density_atomic": 0.04228130361319627,
"volume": 662.231237148067,
"volume_molar": 14.243034734909287,
"formula_full": "Rb12 Sb4 O12",
"formula_reduced": "Rb3SbO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.745540942857143,
"spacegroup": 198
},
{
"id": "jvasp-49344",
"created_at": "2022-09-04T14:38:07.961036Z",
"updated_at": "2022-09-04T14:38:07.961063Z",
"structure_string": "K12 Sb4 Se12\n1.0\n9.742972 0.000000 0.000000\n0.000000 9.742972 -0.000000\n-0.000000 0.000000 9.742972\nK Sb Se\n12 4 12\ndirect\n0.821727 0.178273 0.678273 K\n0.186491 0.313508 0.686491 K\n0.313508 0.686491 0.186491 K\n0.686491 0.186491 0.313508 K\n0.813508 0.813508 0.813508 K\n0.425332 0.074668 0.925331 K\n0.074668 0.925331 0.425332 K\n0.925331 0.425332 0.074668 K\n0.574668 0.574668 0.574668 K\n0.678273 0.821727 0.178273 K\n0.178273 0.678273 0.821727 K\n0.321727 0.321727 0.321727 K\n0.967913 0.532086 0.467913 Sb\n0.532086 0.467913 0.967913 Sb\n0.467913 0.967913 0.532086 Sb\n0.032087 0.032087 0.032087 Sb\n0.223353 0.608224 0.498960 Se\n0.776647 0.108224 0.001040 Se\n0.998960 0.276647 0.391776 Se\n0.723353 0.891776 0.501040 Se\n0.108224 0.001040 0.776647 Se\n0.501040 0.723353 0.891776 Se\n0.001040 0.776647 0.108224 Se\n0.391776 0.998960 0.276647 Se\n0.498960 0.223353 0.608224 Se\n0.891776 0.501040 0.723353 Se\n0.608224 0.498960 0.223353 Se\n0.276647 0.391776 0.998960 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Sb",
"Se"
],
"chemical_system": "K-Sb-Se",
"density": 3.418080431353455,
"density_atomic": 0.030274966272924777,
"volume": 924.8565216417994,
"volume_molar": 19.89148627189608,
"formula_full": "K12 Sb4 Se12",
"formula_reduced": "K3SbSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.3411071714285715,
"spacegroup": 198
},
{
"id": "jvasp-27540",
"created_at": "2022-09-04T14:38:08.039964Z",
"updated_at": "2022-09-04T14:38:08.039992Z",
"structure_string": "Na12 As4 Se12\n1.0\n8.877043 0.000000 -0.000000\n0.000000 8.877043 -0.000000\n0.000000 -0.000000 8.877043\nNa As Se\n12 4 12\ndirect\n0.823205 0.176794 0.676794 Na\n0.676794 0.823205 0.176794 Na\n0.176794 0.676794 0.823205 Na\n0.323206 0.323206 0.323206 Na\n0.186286 0.313714 0.686286 Na\n0.313714 0.686286 0.186286 Na\n0.686286 0.186286 0.313714 Na\n0.813714 0.813714 0.813714 Na\n0.417124 0.082876 0.917124 Na\n0.082876 0.917124 0.417124 Na\n0.917124 0.417124 0.082876 Na\n0.582876 0.582876 0.582876 Na\n0.530523 0.469476 0.969476 As\n0.969476 0.530523 0.469476 As\n0.469476 0.969476 0.530523 As\n0.030523 0.030523 0.030523 As\n0.269379 0.387280 0.000946 Se\n0.769379 0.112720 -0.000946 Se\n0.730620 0.887280 0.499054 Se\n0.112720 -0.000946 0.769379 Se\n0.499054 0.730620 0.887280 Se\n-0.000946 0.769379 0.112720 Se\n0.387280 0.000946 0.269379 Se\n0.000946 0.269379 0.387280 Se\n0.887280 0.499054 0.730620 Se\n0.612720 0.500946 0.230621 Se\n0.500946 0.230621 0.612720 Se\n0.230621 0.612720 0.500946 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"As",
"Se"
],
"chemical_system": "As-Na-Se",
"density": 3.6154959340646142,
"density_atomic": 0.040027001784949064,
"volume": 699.527787527882,
"volume_molar": 15.045195721515277,
"formula_full": "Na12 As4 Se12",
"formula_reduced": "Na3AsSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.5898726928571429,
"spacegroup": 198
},
{
"id": "jvasp-47237",
"created_at": "2022-09-04T14:38:09.140506Z",
"updated_at": "2022-09-04T14:38:09.140536Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n7.124838 -0.000000 -0.000000\n0.000000 7.124838 -0.000000\n-0.000000 -0.000000 7.124838\nLi Mn P O\n4 4 4 16\ndirect\n0.202298 0.702298 0.797703 Li\n0.297703 0.297703 0.297703 Li\n0.702298 0.797703 0.202298 Li\n0.797703 0.202298 0.702298 Li\n0.272459 0.727541 0.227541 Mn\n0.227541 0.272459 0.727541 Mn\n0.772459 0.772459 0.772459 Mn\n0.727541 0.227541 0.272459 Mn\n0.529893 0.470107 0.970107 P\n0.470107 0.970107 0.529893 P\n0.970107 0.529893 0.470107 P\n0.029893 0.029893 0.029893 P\n0.822007 0.021348 0.101886 O\n0.898114 0.322007 0.478652 O\n0.601887 0.677993 0.978653 O\n0.677993 0.978653 0.601887 O\n0.651468 0.348532 0.848532 O\n0.478652 0.898114 0.322007 O\n0.521348 0.398114 0.177993 O\n0.151468 0.151468 0.151468 O\n0.322007 0.478652 0.898114 O\n0.398114 0.177993 0.521348 O\n0.101886 0.822007 0.021348 O\n0.177993 0.521348 0.398114 O\n0.848532 0.651468 0.348532 O\n0.978653 0.601887 0.677993 O\n0.348532 0.848532 0.651468 O\n0.021348 0.101886 0.822007 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.880512448983948,
"density_atomic": 0.07741641374444026,
"volume": 361.68040659221117,
"volume_molar": 7.778893995115456,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.559032391625616,
"spacegroup": 198
},
{
"id": "jvasp-55713",
"created_at": "2022-09-04T14:38:09.149550Z",
"updated_at": "2022-09-04T14:38:09.149573Z",
"structure_string": "Ca4 Mg4 Ni4 H16\n1.0\n6.688846 -0.000000 0.000000\n-0.000000 6.688846 0.000000\n0.000000 -0.000000 6.688846\nCa Mg Ni H\n4 4 4 16\ndirect\n0.660200 0.839801 0.160199 Ca\n0.839801 0.160199 0.660200 Ca\n0.160199 0.660200 0.839801 Ca\n0.339801 0.339801 0.339801 Ca\n0.341977 0.158023 0.841978 Mg\n0.158023 0.841978 0.341977 Mg\n0.841978 0.341977 0.158023 Mg\n0.658023 0.658023 0.658023 Mg\n0.047692 0.047692 0.047692 Ni\n0.452308 0.952309 0.547692 Ni\n0.547692 0.452308 0.952309 Ni\n0.952309 0.547692 0.452308 Ni\n0.590526 0.090526 0.409475 H\n0.909475 0.909475 0.909475 H\n0.055649 0.564433 0.236753 H\n0.236753 0.055649 0.564433 H\n0.564433 0.236753 0.055649 H\n0.935568 0.763247 0.555649 H\n0.736754 0.444352 0.435568 H\n0.944352 0.064432 0.263247 H\n0.263247 0.944352 0.064432 H\n0.763247 0.555649 0.935568 H\n0.064432 0.263247 0.944352 H\n0.555649 0.935568 0.763247 H\n0.409475 0.590526 0.090526 H\n0.444352 0.435568 0.736754 H\n0.435568 0.736754 0.444352 H\n0.090526 0.409475 0.590526 H\n",
"nsites": 28,
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"elements": [
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"Mg",
"Ni",
"H"
],
"chemical_system": "Ca-H-Mg-Ni",
"density": 2.8211678720555917,
"density_atomic": 0.09356306493057369,
"volume": 299.2633901078033,
"volume_molar": 6.436450926942795,
"formula_full": "Ca4 Mg4 Ni4 H16",
"formula_reduced": "CaMgNiH4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5695645528571431,
"spacegroup": 198
},
{
"id": "jvasp-47250",
"created_at": "2022-09-04T14:38:09.411293Z",
"updated_at": "2022-09-04T14:38:09.411311Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n7.132307 0.000000 0.000000\n-0.000000 7.132307 -0.000000\n0.000000 0.000000 7.132307\nLi Fe P O\n4 4 4 16\ndirect\n0.194242 0.694243 0.805758 Li\n0.305758 0.305758 0.305758 Li\n0.694243 0.805758 0.194242 Li\n0.805758 0.194242 0.694243 Li\n0.249676 0.750324 0.250324 Fe\n0.250324 0.249676 0.750324 Fe\n0.749677 0.749677 0.749677 Fe\n0.750324 0.250324 0.249676 Fe\n0.536387 0.463613 0.963613 P\n0.463613 0.963613 0.536387 P\n0.963613 0.536387 0.463613 P\n0.036387 0.036387 0.036387 P\n0.828395 0.032160 0.109035 O\n0.890965 0.328395 0.467840 O\n0.609035 0.671606 0.967840 O\n0.671606 0.967840 0.609035 O\n0.657940 0.342061 0.842061 O\n0.467840 0.890965 0.328395 O\n0.532160 0.390965 0.171606 O\n0.157940 0.157940 0.157940 O\n0.328395 0.467840 0.890965 O\n0.390965 0.171606 0.532160 O\n0.109035 0.828395 0.032160 O\n0.171606 0.532160 0.390965 O\n0.842061 0.657940 0.342061 O\n0.967840 0.609035 0.671606 O\n0.342061 0.842061 0.657940 O\n0.032160 0.109035 0.828395 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.07717345537778729,
"volume": 362.8190530400845,
"volume_molar": 7.803383599347482,
"formula_full": "Li4 Fe4 P4 O16",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 198
},
{
"id": "jvasp-43061",
"created_at": "2022-09-04T14:38:10.843035Z",
"updated_at": "2022-09-04T14:38:10.843048Z",
"structure_string": "Li12 Bi4 S12\n1.0\n8.128440 0.000000 -0.000000\n0.000000 8.128440 -0.000000\n-0.000000 -0.000000 8.128440\nLi Bi S\n12 4 12\ndirect\n0.022396 0.977604 0.477604 Li\n0.184544 0.684544 0.815456 Li\n0.204248 0.295752 0.704248 Li\n0.295752 0.704248 0.204248 Li\n0.315456 0.315456 0.315456 Li\n0.477604 0.022396 0.977604 Li\n0.522396 0.522396 0.522396 Li\n0.684544 0.815456 0.184544 Li\n0.704248 0.204248 0.295752 Li\n0.795752 0.795752 0.795752 Li\n0.815456 0.184544 0.684544 Li\n0.977604 0.477604 0.022396 Li\n0.919106 0.580894 0.419106 Bi\n0.580894 0.419106 0.919106 Bi\n0.419106 0.919106 0.580894 Bi\n0.080894 0.080894 0.080894 Bi\n0.993230 0.748835 0.121939 S\n0.121939 0.993230 0.748835 S\n0.251165 0.621939 0.506770 S\n0.248835 0.378061 0.006770 S\n0.378061 0.006770 0.248835 S\n0.506770 0.251165 0.621939 S\n0.493230 0.751165 0.878061 S\n0.621939 0.506770 0.251165 S\n0.751165 0.878061 0.493230 S\n0.748835 0.121939 0.993230 S\n0.878061 0.493230 0.751165 S\n0.006770 0.248835 0.378061 S\n",
"nsites": 28,
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"elements": [
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"Bi",
"S"
],
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"density": 4.031836798467511,
"density_atomic": 0.05213584517923062,
"volume": 537.0585228597075,
"volume_molar": 11.550864360781558,
"formula_full": "Li12 Bi4 S12",
"formula_reduced": "Li3BiS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.2685420428571428,
"spacegroup": 198
},
{
"id": "jvasp-17855",
"created_at": "2022-09-04T14:38:14.846064Z",
"updated_at": "2022-09-04T14:38:14.846081Z",
"structure_string": "Cr4 Ge4\n1.0\n4.770882 -0.000000 0.000000\n-0.000000 4.770882 -0.000000\n0.000000 -0.000000 4.770882\nCr Ge\n4 4\ndirect\n0.136519 0.136519 0.136519 Cr\n0.363481 0.863481 0.636519 Cr\n0.636519 0.363481 0.863481 Cr\n0.863481 0.636519 0.363481 Cr\n0.844488 0.844488 0.844488 Ge\n0.655511 0.155511 0.344489 Ge\n0.344489 0.655511 0.155511 Ge\n0.155511 0.344489 0.655511 Ge\n",
"nsites": 8,
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"elements": [
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],
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"density": 7.623544056122038,
"density_atomic": 0.07367055838861099,
"volume": 108.59154830617858,
"volume_molar": 8.174419865576839,
"formula_full": "Cr4 Ge4",
"formula_reduced": "CrGe",
"formula_anonymous": "AB",
"energy_above_hull": 1.8953166750000003,
"spacegroup": 198
},
{
"id": "jvasp-51740",
"created_at": "2022-09-04T14:38:16.082579Z",
"updated_at": "2022-09-04T14:38:16.082618Z",
"structure_string": "Yb4 Mg4 Ni4 H16\n1.0\n6.589115 -0.000000 0.000000\n0.000000 6.589115 -0.000000\n-0.000000 -0.000000 6.589115\nYb Mg Ni H\n4 4 4 16\ndirect\n0.155932 0.655932 0.844067 Yb\n0.655932 0.844067 0.155932 Yb\n0.844067 0.155932 0.655932 Yb\n0.344068 0.344068 0.344068 Yb\n0.841074 0.341075 0.158925 Mg\n0.341075 0.158925 0.841074 Mg\n0.158925 0.841074 0.341075 Mg\n0.658925 0.658925 0.658925 Mg\n0.044045 0.044045 0.044045 Ni\n0.544044 0.455955 0.955955 Ni\n0.955955 0.544044 0.455955 Ni\n0.455955 0.955955 0.544044 Ni\n0.234788 0.057219 0.562642 H\n0.557219 0.937357 0.765211 H\n0.062642 0.265212 0.942780 H\n0.734788 0.442780 0.437357 H\n0.942780 0.062642 0.265212 H\n0.437357 0.734788 0.442780 H\n0.765211 0.557219 0.937357 H\n0.095028 0.404972 0.595028 H\n0.937357 0.765211 0.557219 H\n0.265212 0.942780 0.062642 H\n0.904971 0.904971 0.904971 H\n0.404972 0.595028 0.095028 H\n0.562642 0.234788 0.057219 H\n0.595028 0.095028 0.404972 H\n0.442780 0.437357 0.734788 H\n0.057219 0.562642 0.234788 H\n",
"nsites": 28,
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"elements": [
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"Mg",
"Ni",
"H"
],
"chemical_system": "H-Mg-Ni-Yb",
"density": 6.03835096193629,
"density_atomic": 0.09787612552143544,
"volume": 286.075892878165,
"volume_molar": 6.152818910553541,
"formula_full": "Yb4 Mg4 Ni4 H16",
"formula_reduced": "YbMgNiH4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.508331735714286,
"spacegroup": 198
},
{
"id": "jvasp-58958",
"created_at": "2022-09-04T14:38:17.196996Z",
"updated_at": "2022-09-04T14:38:17.197010Z",
"structure_string": "Rb12 Bi4 Se12\n1.0\n10.121481 0.000000 -0.000000\n-0.000000 10.121481 0.000000\n-0.000000 -0.000000 10.121481\nRb Bi Se\n12 4 12\ndirect\n0.324028 0.324028 0.324028 Rb\n0.175972 0.675972 0.824028 Rb\n0.824028 0.175972 0.675972 Rb\n0.675972 0.824028 0.175972 Rb\n0.569787 0.569787 0.569787 Rb\n0.930213 0.430213 0.069787 Rb\n0.069787 0.930213 0.430213 Rb\n0.430213 0.069787 0.930213 Rb\n0.813842 0.813842 0.813842 Rb\n0.686158 0.186158 0.313842 Rb\n0.313842 0.686158 0.186158 Rb\n0.186158 0.313842 0.686158 Rb\n0.965128 0.534872 0.465128 Bi\n0.534872 0.465128 0.965128 Bi\n0.465128 0.965128 0.534872 Bi\n0.034872 0.034872 0.034872 Bi\n0.219696 0.612012 0.499019 Se\n0.499019 0.219696 0.612012 Se\n0.612012 0.499019 0.219696 Se\n0.887988 0.500981 0.719696 Se\n0.999019 0.280304 0.387988 Se\n0.387988 0.999019 0.280304 Se\n0.000981 0.780304 0.112012 Se\n0.500981 0.719696 0.887988 Se\n0.112012 0.000981 0.780304 Se\n0.719696 0.887988 0.500981 Se\n0.780304 0.112012 0.000981 Se\n0.280304 0.387988 0.999019 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"Se"
],
"chemical_system": "Bi-Rb-Se",
"density": 4.4985979228326185,
"density_atomic": 0.02700385944186878,
"volume": 1036.8888217728882,
"volume_molar": 22.30103727566745,
"formula_full": "Rb12 Bi4 Se12",
"formula_reduced": "Rb3BiSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.2234292000000001,
"spacegroup": 198
},
{
"id": "jvasp-55269",
"created_at": "2022-09-04T14:38:18.860462Z",
"updated_at": "2022-09-04T14:38:18.860490Z",
"structure_string": "K12 As4 Se12\n1.0\n9.674337 -0.000000 -0.000000\n-0.000000 9.674337 0.000000\n-0.000000 -0.000000 9.674337\nK As Se\n12 4 12\ndirect\n0.819806 0.180195 0.680195 K\n0.680195 0.819806 0.180195 K\n0.180195 0.680195 0.819806 K\n0.319806 0.319806 0.319806 K\n0.186439 0.313560 0.686441 K\n0.313561 0.686441 0.186440 K\n0.686441 0.186440 0.313560 K\n0.813560 0.813560 0.813560 K\n0.425058 0.074942 0.925058 K\n0.074942 0.925058 0.425058 K\n0.925058 0.425058 0.074942 K\n0.574942 0.574942 0.574942 K\n0.525444 0.474556 0.974556 As\n0.974556 0.525444 0.474556 As\n0.474556 0.974556 0.525444 As\n0.025444 0.025444 0.025444 As\n0.285831 0.396025 0.996559 Se\n0.785831 0.103975 0.003441 Se\n0.714170 0.896025 0.503441 Se\n0.103975 0.003441 0.785831 Se\n0.503441 0.714170 0.896025 Se\n0.003441 0.785831 0.103975 Se\n0.396025 0.996559 0.285831 Se\n0.996559 0.285831 0.396025 Se\n0.896025 0.503441 0.714170 Se\n0.603975 0.496559 0.214169 Se\n0.496559 0.214169 0.603975 Se\n0.214169 0.603975 0.496559 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"As",
"Se"
],
"chemical_system": "As-K-Se",
"density": 3.1477514002375866,
"density_atomic": 0.030923909683225316,
"volume": 905.4482530450737,
"volume_molar": 19.47406010976262,
"formula_full": "K12 As4 Se12",
"formula_reduced": "K3AsSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4637051214285714,
"spacegroup": 198
}
]
}