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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=955",
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"results": [
{
"id": "jvasp-107984",
"created_at": "2022-09-04T14:37:51.066140Z",
"updated_at": "2022-09-04T14:37:51.066162Z",
"structure_string": "Sr1 Ac1 Au2\n1.0\n4.717976 -0.000000 2.723925\n1.572659 4.448150 2.723925\n-0.000000 -0.000000 5.447849\nSr Ac Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500000 0.499999 Ac\n0.250000 0.250000 0.249999 Au\n0.750001 0.750000 0.749998 Au\n",
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"elements": [
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"density": 10.29108843501311,
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{
"id": "jvasp-101019",
"created_at": "2022-09-04T14:36:43.213336Z",
"updated_at": "2022-09-04T14:36:43.213361Z",
"structure_string": "Sr2 Ac6\n1.0\n8.077240 -0.000000 0.000000\n-4.038620 6.995095 0.000000\n-0.000000 -0.000000 6.472808\nSr Ac\n2 6\ndirect\n0.333333 0.666666 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164417 0.328835 0.250000 Ac\n0.671165 0.835582 0.250000 Ac\n0.164417 0.835582 0.250000 Ac\n0.835582 0.671165 0.750000 Ac\n0.328835 0.164417 0.750000 Ac\n0.835583 0.164417 0.750000 Ac\n",
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"elements": [
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"density": 6.979775351304989,
"density_atomic": 0.021874627073593125,
"volume": 365.72052054124094,
"volume_molar": 27.530255668997803,
"formula_full": "Sr2 Ac6",
"formula_reduced": "SrAc3",
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"spacegroup": 194
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{
"id": "jvasp-37371",
"created_at": "2022-09-04T14:38:04.398371Z",
"updated_at": "2022-09-04T14:38:04.398390Z",
"structure_string": "Sr1 Ac3\n1.0\n-2.844562 2.844562 5.639367\n2.844562 -2.844562 5.639367\n2.844562 2.844562 -5.639367\nSr Ac\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.000000 Ac\n0.749999 0.250000 0.499999 Ac\n0.250000 0.749999 0.499999 Ac\n",
"nsites": 4,
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"elements": [
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"density": 6.992615044873185,
"density_atomic": 0.02191486669369651,
"volume": 182.52449608331594,
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"formula_full": "Sr1 Ac3",
"formula_reduced": "SrAc3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-86271",
"created_at": "2022-09-04T14:36:01.814778Z",
"updated_at": "2022-09-04T14:36:01.814813Z",
"structure_string": "Sr8 Mn2 Fe1 N8\n1.0\n5.110135 0.000000 -1.443841\n-0.554881 7.181799 -1.963869\n-0.025217 0.065442 9.675724\nSr Mn Fe N\n8 2 1 8\ndirect\n0.401297 0.039032 0.802596 Sr\n0.334008 0.528691 0.668018 Sr\n0.973339 0.736368 0.946679 Sr\n0.200431 0.803593 0.400863 Sr\n0.799568 0.196407 0.599137 Sr\n0.026660 0.263632 0.053320 Sr\n0.665990 0.471309 0.331981 Sr\n0.598702 0.960968 0.197403 Sr\n0.186444 0.204813 0.372888 Mn\n0.813555 0.795187 0.627111 Mn\n0.500000 0.500000 -0.000000 Fe\n0.724215 0.831354 0.448432 N\n0.275783 0.168646 0.551567 N\n0.822989 0.571202 0.645980 N\n0.105887 0.012931 0.211775 N\n0.894111 0.987069 0.788224 N\n0.177010 0.428798 0.354020 N\n0.476255 0.711348 0.952511 N\n0.523744 0.288651 0.047488 N\n",
"nsites": 19,
"nelements": 4,
"elements": [
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"chemical_system": "Fe-Mn-N-Sr",
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"density_atomic": 0.053438875398617275,
"volume": 355.54640434090464,
"volume_molar": 11.269213124488436,
"formula_full": "Sr8 Mn2 Fe1 N8",
"formula_reduced": "Sr8Mn2FeN8",
"formula_anonymous": "AB2C8D8",
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"spacegroup": 12
},
{
"id": "jvasp-86873",
"created_at": "2022-09-04T14:35:42.289239Z",
"updated_at": "2022-09-04T14:35:42.289267Z",
"structure_string": "Sr8 Mn2 Fe1 N8\n1.0\n5.110198 0.000000 -1.443859\n-0.554901 7.181727 -1.963942\n-0.025288 0.065302 9.675594\nSr Mn Fe N\n8 2 1 8\ndirect\n0.401298 0.039033 0.802597 Sr\n0.334007 0.528694 0.668015 Sr\n0.973338 0.736366 0.946675 Sr\n0.200429 0.803589 0.400858 Sr\n0.799571 0.196411 0.599142 Sr\n0.026662 0.263635 0.053325 Sr\n0.665993 0.471306 0.331985 Sr\n0.598702 0.960967 0.197402 Sr\n0.186447 0.204810 0.372894 Mn\n0.813553 0.795191 0.627106 Mn\n0.500000 0.500000 0.000000 Fe\n0.724214 0.831356 0.448428 N\n0.275786 0.168644 0.551571 N\n0.822988 0.571204 0.645974 N\n0.105886 0.012929 0.211772 N\n0.894114 0.987072 0.788228 N\n0.177013 0.428797 0.354025 N\n0.476255 0.711345 0.952510 N\n0.523745 0.288655 0.047490 N\n",
"nsites": 19,
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"elements": [
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"chemical_system": "Fe-Mn-N-Sr",
"density": 4.571148471944144,
"density_atomic": 0.053439803110072015,
"volume": 355.5402320787928,
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"formula_full": "Sr8 Mn2 Fe1 N8",
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"formula_anonymous": "AB2C8D8",
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"spacegroup": 12
},
{
"id": "jvasp-85285",
"created_at": "2022-09-04T14:36:06.567085Z",
"updated_at": "2022-09-04T14:36:06.567115Z",
"structure_string": "Sr8 Fe3 N8\n1.0\n5.129834 0.000005 -1.450277\n-0.554650 7.146485 -1.961947\n-0.029454 0.055600 9.693646\nSr Fe N\n8 3 8\ndirect\n0.028762 0.264123 0.057526 Sr\n0.800097 0.194757 0.600195 Sr\n0.404763 0.032676 0.809520 Sr\n0.666638 0.469333 0.333279 Sr\n0.333362 0.530666 0.666721 Sr\n0.595237 0.967322 0.190479 Sr\n0.971238 0.735876 0.942473 Sr\n0.199903 0.805242 0.399804 Sr\n0.187625 0.205713 0.375269 Fe\n0.500000 0.499999 -0.000001 Fe\n0.812375 0.794286 0.624730 Fe\n0.276104 0.167761 0.552214 N\n0.473326 0.720937 0.946646 N\n0.526674 0.279062 0.053354 N\n0.107585 0.015063 0.215180 N\n0.892415 0.984936 0.784819 N\n0.723896 0.832237 0.447786 N\n0.821337 0.568511 0.642672 N\n0.178663 0.431488 0.357328 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
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"Fe",
"N"
],
"chemical_system": "Fe-N-Sr",
"density": 4.577938357793727,
"density_atomic": 0.05342017668726691,
"volume": 355.6708565609965,
"volume_molar": 11.273157697053108,
"formula_full": "Sr8 Fe3 N8",
"formula_reduced": "Sr8Fe3N8",
"formula_anonymous": "A3B8C8",
"energy_above_hull": 3.0781922621052638,
"spacegroup": 12
},
{
"id": "jvasp-55694",
"created_at": "2022-09-04T14:38:07.536456Z",
"updated_at": "2022-09-04T14:38:07.536482Z",
"structure_string": "Sr7 H12 Cl2\n1.0\n4.980159 -8.625888 0.000000\n4.980159 8.625888 0.000000\n-0.000000 -0.000000 3.927506\nSr H Cl\n7 12 2\ndirect\n0.783723 0.050185 0.500000 Sr\n0.362656 0.921206 0.000000 Sr\n0.078794 0.441450 0.000000 Sr\n0.558550 0.637344 0.000000 Sr\n0.666667 0.333333 0.000000 Sr\n0.266462 0.216277 0.500000 Sr\n0.949815 0.733538 0.500000 Sr\n0.092002 0.698826 0.000000 H\n0.301174 0.393176 0.000000 H\n0.606824 0.907998 0.000000 H\n0.824182 0.214243 0.000000 H\n0.390062 0.175818 0.000000 H\n0.785757 0.609939 0.000000 H\n0.227072 0.943044 0.500000 H\n0.056956 0.284028 0.500000 H\n0.563547 0.116862 0.500000 H\n0.553316 0.436453 0.500000 H\n0.883138 0.446685 0.500000 H\n0.715972 0.772928 0.500000 H\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.500000 Cl\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"H",
"Cl"
],
"chemical_system": "Cl-H-Sr",
"density": 3.42671008424137,
"density_atomic": 0.062233670828911965,
"volume": 337.4379129544132,
"volume_molar": 9.676660045581448,
"formula_full": "Sr7 H12 Cl2",
"formula_reduced": "Sr7(H6Cl)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 1.5902720145238094,
"spacegroup": 174
},
{
"id": "jvasp-55695",
"created_at": "2022-09-04T14:38:12.057868Z",
"updated_at": "2022-09-04T14:38:12.057884Z",
"structure_string": "Sr7 H12 Br2\n1.0\n5.020329 -8.695465 -0.000000\n5.020329 8.695465 0.000000\n0.000000 -0.000000 3.995762\nSr H Br\n7 12 2\ndirect\n0.049633 0.776474 0.500000 Sr\n0.925671 0.359625 0.000000 Sr\n0.433954 0.074329 0.000000 Sr\n0.640375 0.566046 0.000000 Sr\n0.333333 0.666667 0.000000 Sr\n0.223527 0.273159 0.500000 Sr\n0.726841 0.950367 0.500000 Sr\n0.695785 0.090924 0.000000 H\n0.395140 0.304215 0.000000 H\n0.909076 0.604860 0.000000 H\n0.211936 0.820019 0.000000 H\n0.179981 0.391917 0.000000 H\n0.608083 0.788064 0.000000 H\n0.944374 0.227028 0.500000 H\n0.282654 0.055626 0.500000 H\n0.119390 0.561834 0.500000 H\n0.438167 0.557557 0.500000 H\n0.442443 0.880610 0.500000 H\n0.772972 0.717346 0.500000 H\n0.000000 0.000000 0.000000 Br\n0.666667 0.333333 0.500000 Br\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"H",
"Br"
],
"chemical_system": "Br-H-Sr",
"density": 3.7376508322633737,
"density_atomic": 0.060195592894394925,
"volume": 348.86274875374477,
"volume_molar": 10.004288471026504,
"formula_full": "Sr7 H12 Br2",
"formula_reduced": "Sr7(H6Br)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 1.5706639228571428,
"spacegroup": 174
},
{
"id": "jvasp-122464",
"created_at": "2022-09-04T14:38:50.386520Z",
"updated_at": "2022-09-04T14:38:50.386549Z",
"structure_string": "Sr7 Ca1 Ir2 O12\n1.0\n6.867260 0.013857 -0.100282\n-0.101959 6.866517 -0.100282\n0.013625 0.013857 6.867979\nSr Ca Ir O\n7 1 2 12\ndirect\n0.136001 0.864000 0.500000 Sr\n0.500001 0.136001 0.864000 Sr\n0.864000 0.500001 0.136001 Sr\n0.000000 0.365998 0.634003 Sr\n0.634003 0.000000 0.365998 Sr\n0.365997 0.634003 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500001 0.500000 Ca\n0.746400 0.746401 0.746400 Ir\n0.253600 0.253601 0.253600 Ir\n0.332407 0.200813 0.539872 O\n0.689941 0.823492 0.033678 O\n0.823491 0.033679 0.689941 O\n0.033678 0.689942 0.823491 O\n0.310059 0.966323 0.176509 O\n0.460128 0.799188 0.667594 O\n0.176510 0.310059 0.966322 O\n0.799188 0.667595 0.460128 O\n0.667594 0.460129 0.799188 O\n0.539872 0.332407 0.200813 O\n0.966322 0.176510 0.310059 O\n0.200813 0.539873 0.332406 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ca-Ir-O-Sr",
"density": 6.305389281102303,
"density_atomic": 0.06792586510357587,
"volume": 323.8825146570248,
"volume_molar": 8.865754968033484,
"formula_full": "Sr7 Ca1 Ir2 O12",
"formula_reduced": "Sr7Ca(IrO6)2",
"formula_anonymous": "AB2C7D12",
"energy_above_hull": 1.8342081268181816,
"spacegroup": 155
},
{
"id": "jvasp-35207",
"created_at": "2022-09-04T14:38:10.237230Z",
"updated_at": "2022-09-04T14:38:10.237267Z",
"structure_string": "Sr6 Y2 Al4 O15\n1.0\n0.000000 -5.756646 0.000000\n-8.821481 2.878323 0.119683\n0.001004 0.000000 -7.746918\nSr Y Al O\n6 2 4 15\ndirect\n0.687218 0.348235 0.504723 Sr\n0.338983 0.651765 0.495278 Sr\n0.691670 0.319767 0.968607 Sr\n0.371904 0.680235 0.031394 Sr\n0.962610 0.000000 0.000000 Sr\n0.901920 0.000000 0.500000 Sr\n0.851471 0.686863 0.753528 Y\n0.164608 0.313137 0.246472 Y\n0.454189 0.974682 0.772747 Al\n0.479507 0.025319 0.227254 Al\n0.829651 0.619840 0.243707 Al\n0.209811 0.380161 0.756294 Al\n0.221940 0.084065 0.271456 O\n0.851207 0.682168 0.463608 O\n0.654514 0.142805 0.692146 O\n0.511709 0.857196 0.307855 O\n0.137875 0.915935 0.728544 O\n0.580755 0.822350 0.739741 O\n0.137968 0.273895 0.949587 O\n0.055758 0.520785 0.772759 O\n0.534974 0.479215 0.227241 O\n0.527694 0.480860 0.767745 O\n0.046834 0.519140 0.232254 O\n0.169038 0.317832 0.536393 O\n0.864075 0.726106 0.050414 O\n0.758405 0.177650 0.260259 O\n0.474528 0.000000 0.000000 O\n",
"nsites": 27,
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"elements": [
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],
"chemical_system": "Al-O-Sr-Y",
"density": 4.438109645124446,
"density_atomic": 0.06863166610467243,
"volume": 393.4044083793828,
"volume_molar": 8.774580455056174,
"formula_full": "Sr6 Y2 Al4 O15",
"formula_reduced": "Sr6Y2Al4O15",
"formula_anonymous": "A2B4C6D15",
"energy_above_hull": 2.0280804614814816,
"spacegroup": 5
},
{
"id": "jvasp-38129",
"created_at": "2022-09-04T14:38:32.938896Z",
"updated_at": "2022-09-04T14:38:32.938924Z",
"structure_string": "Sr6 Sn2 N1 F1\n1.0\n-0.000000 5.207956 5.207956\n5.207956 0.000000 5.207956\n5.207956 5.207956 -0.000000\nSr Sn N F\n6 2 1 1\ndirect\n0.242398 0.757602 0.757602 Sr\n0.242398 0.757602 0.242398 Sr\n0.757602 0.242398 0.757602 Sr\n0.757602 0.757602 0.242398 Sr\n0.242398 0.242398 0.757602 Sr\n0.757602 0.242398 0.242398 Sr\n0.250000 0.250000 0.250000 Sn\n0.750001 0.750001 0.750001 Sn\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Sn",
"N",
"F"
],
"chemical_system": "F-N-Sn-Sr",
"density": 4.679607311930933,
"density_atomic": 0.035397132797075966,
"volume": 282.5087573428,
"volume_molar": 17.01307502651025,
"formula_full": "Sr6 Sn2 N1 F1",
"formula_reduced": "Sr6Sn2NF",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1624494792499999,
"spacegroup": 225
},
{
"id": "jvasp-19091",
"created_at": "2022-09-04T14:37:03.453295Z",
"updated_at": "2022-09-04T14:37:03.453314Z",
"structure_string": "Sr6 Rh5 O15\n1.0\n7.097583 0.026862 0.511441\n0.477837 7.081530 0.511441\n0.028626 0.026862 7.115928\nSr Rh O\n6 5 15\ndirect\n0.144499 0.500000 0.855502 Sr\n0.500000 0.855501 0.144498 Sr\n0.855501 0.144498 0.500000 Sr\n0.320397 -0.000000 0.679604 Sr\n0.000000 0.679603 0.320396 Sr\n0.679603 0.320396 -0.000000 Sr\n0.500000 0.500000 0.500000 Rh\n0.708429 0.708428 0.708428 Rh\n0.096013 0.096013 0.096013 Rh\n0.903988 0.903987 0.903987 Rh\n0.291572 0.291572 0.291572 Rh\n0.208448 0.016851 0.348207 O\n0.791552 0.651793 0.983149 O\n0.563467 0.263901 0.349192 O\n0.348207 0.208448 0.016851 O\n0.016852 0.348207 0.208448 O\n0.165458 0.834542 -0.000000 O\n0.000001 0.165458 0.834542 O\n0.834542 -0.000000 0.165458 O\n0.436534 0.650808 0.736099 O\n0.736099 0.436533 0.650808 O\n0.650809 0.736099 0.436533 O\n0.349192 0.563467 0.263901 O\n0.263901 0.349191 0.563467 O\n0.983149 0.791552 0.651793 O\n0.651794 0.983148 0.791552 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
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"Rh",
"O"
],
"chemical_system": "O-Rh-Sr",
"density": 5.94864084614267,
"density_atomic": 0.07275303511665597,
"volume": 357.37340659823,
"volume_molar": 8.277511378520208,
"formula_full": "Sr6 Rh5 O15",
"formula_reduced": "Sr6(RhO3)5",
"formula_anonymous": "A5B6C15",
"energy_above_hull": 2.248315206153846,
"spacegroup": 155
}
]
}