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{
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"results": [
{
"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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"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",
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{
"id": "jvasp-47105",
"created_at": "2022-09-04T14:38:04.360486Z",
"updated_at": "2022-09-04T14:38:04.360497Z",
"structure_string": "Li1 Mn1 P1 O4\n1.0\n0.000000 4.825903 -0.000000\n2.412950 -2.412950 3.761581\n4.825903 -0.000000 0.000000\nLi Mn P O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.500000 0.750000 P\n0.451534 0.264231 0.060983 O\n0.674788 0.735769 0.451534 O\n0.812697 0.264231 0.674788 O\n0.060983 0.735769 0.812697 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9730838135983366,
"density_atomic": 0.0799043540643659,
"volume": 87.60473796410696,
"volume_molar": 7.536686618039542,
"formula_full": "Li1 Mn1 P1 O4",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.547000963054187,
"spacegroup": 82
},
{
"id": "jvasp-108922",
"created_at": "2022-09-04T14:38:10.405006Z",
"updated_at": "2022-09-04T14:38:10.405037Z",
"structure_string": "Sr1 Sm1 Ni1 O4\n1.0\n3.624164 -0.016708 -5.561214\n-0.333815 3.608797 -5.561214\n0.015305 0.016708 6.637879\nSr Sm Ni O\n1 1 1 4\ndirect\n0.641490 0.641490 0.000001 Sr\n0.363047 0.363047 0.000001 Sm\n0.003717 0.003717 0.000000 Ni\n0.839771 0.839771 0.000001 O\n0.171562 0.171562 0.000000 O\n0.990205 0.490206 0.500000 O\n0.490206 0.990207 0.500002 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Sm",
"Ni",
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],
"chemical_system": "Ni-O-Sm-Sr",
"density": 6.848165013618505,
"density_atomic": 0.08004089480933838,
"volume": 87.45529415524862,
"volume_molar": 7.523829880144465,
"formula_full": "Sr1 Sm1 Ni1 O4",
"formula_reduced": "SrSmNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5255873692857147,
"spacegroup": 107
},
{
"id": "jvasp-117369",
"created_at": "2022-09-04T14:38:27.085549Z",
"updated_at": "2022-09-04T14:38:27.085586Z",
"structure_string": "Sr2 Nd2 Ni2 O8\n1.0\n6.673053 0.046773 0.000000\n-4.533049 4.897274 0.000000\n-0.000000 -0.000000 5.401607\nSr Nd Ni O\n2 2 2 8\ndirect\n0.894273 0.105725 0.250000 Sr\n0.105725 0.894273 0.750000 Sr\n0.383395 0.616603 0.750000 Nd\n0.616603 0.383395 0.250000 Nd\n0.250822 0.749177 0.250000 Ni\n0.749176 0.250822 0.750000 Ni\n0.578503 0.421496 0.750000 O\n0.092016 0.907982 0.250000 O\n0.421496 0.578503 0.250000 O\n0.907982 0.092016 0.750000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 14,
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"elements": [
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"Ni",
"O"
],
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"density": 6.627499785128059,
"density_atomic": 0.07879841835971634,
"volume": 177.66854070712085,
"volume_molar": 7.642464005443371,
"formula_full": "Sr2 Nd2 Ni2 O8",
"formula_reduced": "SrNdNiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 63
},
{
"id": "jvasp-55472",
"created_at": "2022-09-04T14:38:11.278591Z",
"updated_at": "2022-09-04T14:38:11.278626Z",
"structure_string": "Na4 Mn4 P4 O16\n1.0\n5.110895 0.000000 0.000000\n-0.000000 6.897300 0.000000\n0.000000 0.000000 9.154197\nNa Mn P O\n4 4 4 16\ndirect\n0.025393 0.250000 0.648425 Na\n0.525393 0.750000 0.851575 Na\n0.974608 0.750000 0.351575 Na\n0.474607 0.250000 0.148425 Na\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.470417 0.750000 0.176067 P\n0.970418 0.250000 0.323933 P\n0.529583 0.250000 0.823933 P\n0.029583 0.750000 0.676068 P\n0.259471 0.250000 0.378665 O\n0.759471 0.750000 0.121335 O\n0.328245 0.567137 0.120262 O\n0.828245 0.432863 0.379738 O\n0.671756 0.067137 0.879738 O\n0.171755 0.932863 0.620262 O\n0.671756 0.432863 0.879738 O\n0.546647 0.250000 0.652380 O\n0.328245 0.932863 0.120262 O\n0.828245 0.067137 0.379738 O\n0.453354 0.750000 0.347620 O\n0.953354 0.250000 0.152380 O\n0.240529 0.250000 0.878666 O\n0.046647 0.750000 0.847620 O\n0.171755 0.567137 0.620262 O\n0.740530 0.750000 0.621335 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
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"density": 3.5588172241472984,
"density_atomic": 0.08676842256864503,
"volume": 322.6980411894475,
"volume_molar": 6.940475096496895,
"formula_full": "Na4 Mn4 P4 O16",
"formula_reduced": "NaMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.3235836773399017,
"spacegroup": 62
},
{
"id": "jvasp-43012",
"created_at": "2022-09-04T14:38:15.986912Z",
"updated_at": "2022-09-04T14:38:15.986927Z",
"structure_string": "Li2 Cr2 Fe2 O8\n1.0\n5.671868 -0.000000 -0.000000\n2.835934 5.020256 -0.000451\n2.835934 1.672994 4.733292\nLi Cr Fe O\n2 2 2 8\ndirect\n0.123565 0.126435 0.126435 Li\n0.876434 0.873565 0.873565 Li\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n-0.000001 0.500000 0.500000 Fe\n0.499999 0.500000 0.500000 Fe\n0.255730 0.265172 0.265172 O\n0.261096 0.266240 0.711567 O\n0.261096 0.711568 0.266240 O\n0.713925 0.265172 0.265172 O\n0.286074 0.734828 0.734828 O\n0.738903 0.733760 0.288432 O\n0.738903 0.288432 0.733760 O\n0.744269 0.734828 0.734828 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.40522638057605,
"density_atomic": 0.10387211381864656,
"volume": 134.78112156688195,
"volume_molar": 5.797649184760249,
"formula_full": "Li2 Cr2 Fe2 O8",
"formula_reduced": "LiCrFeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7496809857142863,
"spacegroup": 74
},
{
"id": "jvasp-117418",
"created_at": "2022-09-04T14:38:26.549355Z",
"updated_at": "2022-09-04T14:38:26.549385Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n4.928550 -0.210895 -2.904454\n-1.647691 4.643355 -2.914670\n0.065844 0.210895 5.720325\nLi V Co O\n2 2 2 8\ndirect\n0.372226 0.122226 0.250000 Li\n0.627773 0.877773 0.750000 Li\n-0.000000 0.500000 0.500000 V\n0.500000 0.499999 -0.000000 V\n-0.000000 0.499999 -0.000000 Co\n-0.000000 0.000000 0.500001 Co\n0.212083 0.738657 0.473426 O\n0.765230 0.738656 0.026574 O\n0.758930 0.735400 0.476470 O\n0.758931 0.282461 0.023530 O\n0.241068 0.717538 0.976471 O\n0.241069 0.264599 0.523530 O\n0.234769 0.261343 0.973427 O\n0.787916 0.261342 0.526574 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.485015314536497,
"density_atomic": 0.10456407799525932,
"volume": 133.88919281280064,
"volume_molar": 5.759282609724755,
"formula_full": "Li2 V2 Co2 O8",
"formula_reduced": "LiVCoO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-45241",
"created_at": "2022-09-04T14:38:04.402067Z",
"updated_at": "2022-09-04T14:38:04.402086Z",
"structure_string": "Li2 Ni2 Sn2 O8\n1.0\n5.885014 -0.003529 -0.002864\n2.939478 5.281449 -0.100999\n2.939165 1.665391 5.012573\nLi Ni Sn O\n2 2 2 8\ndirect\n0.119992 0.126570 0.126548 Li\n0.880007 0.873431 0.873450 Li\n0.000004 0.500000 0.500001 Ni\n0.499998 0.500000 0.499999 Ni\n0.499997 0.000001 0.500002 Sn\n0.499997 0.500004 0.000000 Sn\n0.267311 0.249612 0.249564 O\n0.245098 0.281965 0.705485 O\n0.245185 0.705391 0.282084 O\n0.719443 0.270051 0.270082 O\n0.280557 0.729948 0.729920 O\n0.754901 0.718036 0.294511 O\n0.754816 0.294605 0.717916 O\n0.732690 0.750389 0.750437 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.257583543554792,
"density_atomic": 0.0892452171496636,
"volume": 156.87115172258586,
"volume_molar": 6.747858263262347,
"formula_full": "Li2 Ni2 Sn2 O8",
"formula_reduced": "LiNiSnO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 12
},
{
"id": "jvasp-40683",
"created_at": "2022-09-04T14:38:06.108048Z",
"updated_at": "2022-09-04T14:38:06.108080Z",
"structure_string": "Li3 Mn3 P3 O12\n1.0\n2.628424 -4.552564 -0.000000\n2.628424 4.552564 0.000000\n-0.000000 -0.000000 13.220785\nLi Mn P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.499999 0.499999 0.333333 Mn\n-0.000000 0.499999 0.666667 Mn\n0.499999 -0.000000 0.000000 Mn\n0.499999 0.499999 0.833333 P\n-0.000000 0.499999 0.166667 P\n0.499999 -0.000000 0.500000 P\n0.181049 0.403533 0.232257 O\n0.222484 0.403533 0.767743 O\n0.181049 0.777515 0.101076 O\n0.222484 0.818950 0.565590 O\n0.818950 0.222484 0.101076 O\n0.403533 0.181049 0.434410 O\n0.818949 0.596466 0.232257 O\n0.777515 0.596466 0.767743 O\n0.596466 0.777515 0.898924 O\n0.403533 0.222484 0.898924 O\n0.777515 0.181049 0.565590 O\n0.596466 0.818949 0.434410 O\n",
"nsites": 21,
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],
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"density_atomic": 0.06637133795561055,
"volume": 316.4016373158681,
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"formula_full": "Li3 Mn3 P3 O12",
"formula_reduced": "LiMnPO4",
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"spacegroup": 180
},
{
"id": "jvasp-43069",
"created_at": "2022-09-04T14:38:07.260036Z",
"updated_at": "2022-09-04T14:38:07.260066Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n5.956116 0.000000 0.000000\n0.000000 5.956116 0.000000\n0.000000 -0.000000 8.189684\nLi Mn V O\n4 4 4 16\ndirect\n0.000000 0.244467 0.000000 Li\n0.000000 0.755534 0.500000 Li\n0.244467 0.000000 0.250000 Li\n0.755534 0.000000 0.750000 Li\n0.253908 0.253908 0.625000 Mn\n0.253908 0.746093 0.875000 Mn\n0.746093 0.253908 0.375000 Mn\n0.746093 0.746093 0.125000 Mn\n0.777070 0.500000 0.750000 V\n0.500000 0.777070 0.500000 V\n0.500000 0.222931 0.000000 V\n0.222931 0.500000 0.250000 V\n0.730306 0.969392 0.492465 O\n0.730306 0.030609 0.007534 O\n0.731601 0.486638 0.979448 O\n0.731601 0.513363 0.520552 O\n0.513363 0.731601 0.729448 O\n0.513363 0.268399 0.770551 O\n0.486638 0.731601 0.270552 O\n0.030609 0.730306 0.242465 O\n0.268399 0.513363 0.479448 O\n0.268399 0.486638 0.020552 O\n0.269695 0.969392 0.507534 O\n0.269695 0.030609 0.992465 O\n0.969392 0.269695 0.742465 O\n0.030609 0.269695 0.257534 O\n0.486638 0.268399 0.229448 O\n0.969392 0.730306 0.757534 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 4.042429730574302,
"density_atomic": 0.09637504454555883,
"volume": 290.5316426262581,
"volume_molar": 6.248651596890508,
"formula_full": "Li4 Mn4 V4 O16",
"formula_reduced": "LiMnVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.764985063054187,
"spacegroup": 95
},
{
"id": "jvasp-44725",
"created_at": "2022-09-04T14:38:07.477471Z",
"updated_at": "2022-09-04T14:38:07.477500Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n4.945104 0.037206 -0.052205\n2.391213 4.328783 -0.061798\n2.298611 1.386172 7.994706\nLi Fe P O\n2 2 2 8\ndirect\n0.440663 0.571101 0.494529 Li\n0.073098 0.938616 0.994568 Li\n0.810915 0.684060 0.750714 Fe\n0.186031 0.308916 0.250687 Fe\n0.433484 0.317171 0.873802 P\n0.819134 0.931474 0.373803 P\n0.765401 0.036105 0.849274 O\n0.467102 0.594666 0.904799 O\n0.278831 0.414554 0.716443 O\n0.734161 0.710336 0.524243 O\n0.538085 0.263409 0.349256 O\n0.096701 0.965054 0.404741 O\n0.916401 0.776797 0.216467 O\n0.212281 0.232211 0.024205 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Fe-Li-O-P",
"density": 3.060478453751701,
"density_atomic": 0.08178028758788695,
"volume": 171.1903982356946,
"volume_molar": 7.363804820970061,
"formula_full": "Li2 Fe2 P2 O8",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438319285714286,
"spacegroup": 9
},
{
"id": "jvasp-117437",
"created_at": "2022-09-04T14:38:26.557026Z",
"updated_at": "2022-09-04T14:38:26.557046Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n5.336577 0.012699 0.575717\n-1.257972 5.889238 -1.489277\n-0.035470 -0.023436 9.081281\nLi Co P O\n4 4 4 16\ndirect\n0.636028 0.006646 0.240885 Li\n0.363979 0.993337 0.759110 Li\n0.189555 0.156466 0.423581 Li\n0.810466 0.843540 0.576410 Li\n0.850005 0.534820 0.277993 Co\n0.149995 0.465174 0.722006 Co\n0.278285 0.340808 0.093169 Co\n0.721715 0.659194 0.906829 Co\n0.679384 0.318748 0.573307 P\n0.320617 0.681252 0.426694 P\n0.804320 0.191116 0.948706 P\n0.195676 0.808886 0.051295 P\n0.800021 0.562270 0.668175 O\n0.199976 0.437733 0.331823 O\n0.404811 0.233073 0.636809 O\n0.595194 0.766922 0.363195 O\n0.872479 0.172943 0.587472 O\n0.127530 0.827063 0.412528 O\n0.693736 0.950189 0.859266 O\n0.608401 0.335175 0.936530 O\n0.151932 0.792065 0.881382 O\n0.848062 0.207933 0.118619 O\n0.077491 0.288013 0.886408 O\n0.922507 0.711991 0.113595 O\n0.654667 0.316943 0.404991 O\n0.391598 0.664832 0.063473 O\n0.306259 0.049815 0.140734 O\n0.345324 0.683050 0.595009 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Li-O-P",
"density": 3.7419847268834756,
"density_atomic": 0.09807128914599104,
"volume": 285.50659671984727,
"volume_molar": 6.140574690555267,
"formula_full": "Li4 Co4 P4 O16",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
}
]
}