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{
"id": "jvasp-94920",
"created_at": "2022-09-04T14:36:07.335846Z",
"updated_at": "2022-09-04T14:36:07.335874Z",
"structure_string": "Mn1 In2 Se4\n1.0\n-2.064340 -3.575542 0.000000\n2.064340 -3.575542 0.000000\n-0.000000 -2.383694 13.034639\nMn In Se\n1 2 4\ndirect\n0.771517 0.771517 0.685446 Mn\n0.003304 0.003304 0.990085 In\n0.229634 0.229634 0.311098 In\n0.123071 0.123071 0.630784 Se\n0.866235 0.866235 0.401292 Se\n0.705923 0.705923 0.882228 Se\n0.296311 0.296311 0.111068 Se\n",
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{
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"created_at": "2022-09-04T14:38:49.799951Z",
"updated_at": "2022-09-04T14:38:49.799981Z",
"structure_string": "Mn1 In2 Se2 S2\n1.0\n3.841243 -0.105999 12.020174\n1.785767 3.402561 12.020174\n-0.180934 -0.105999 12.617725\nMn In Se S\n1 2 2 2\ndirect\n0.779549 0.779548 0.779547 Mn\n0.003833 0.003833 0.003833 In\n0.223489 0.223489 0.223488 In\n0.293801 0.293800 0.293800 Se\n0.708652 0.708651 0.708651 Se\n0.863563 0.863562 0.863561 S\n0.123117 0.123117 0.123117 S\n",
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{
"id": "jvasp-53555",
"created_at": "2022-09-04T14:35:45.207320Z",
"updated_at": "2022-09-04T14:35:45.207342Z",
"structure_string": "Mn1 In2 Te4\n1.0\n5.592783 -0.158568 -2.825715\n-1.273922 5.448072 -2.825715\n0.348644 0.426999 7.617491\nMn In Te\n1 2 4\ndirect\n0.999936 0.999936 -0.000062 Mn\n0.250019 0.750034 0.499995 In\n0.750033 0.250019 0.499995 In\n0.161246 0.624615 0.785819 Te\n0.375385 0.375385 0.214215 Te\n0.624614 0.161246 0.785819 Te\n0.838764 0.838764 0.214210 Te\n",
"nsites": 7,
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"elements": [
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],
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"density": 5.401906117816606,
"density_atomic": 0.028644617344113596,
"volume": 244.37400981509305,
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"formula_full": "Mn1 In2 Te4",
"formula_reduced": "Mn(InTe2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 121
},
{
"id": "jvasp-101158",
"created_at": "2022-09-04T14:36:43.783129Z",
"updated_at": "2022-09-04T14:36:43.783155Z",
"structure_string": "Mn1 In2 Te4\n1.0\n5.714013 0.029494 -5.106894\n-1.124722 5.602304 -5.106894\n-0.024034 -0.029494 7.663533\nMn In Te\n1 2 4\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.828338 0.385407 0.981803 Te\n0.403604 0.846534 0.018197 Te\n0.153466 0.171663 0.557070 Te\n0.614593 0.596395 0.442931 Te\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "In-Mn-Te",
"density": 5.413239202429461,
"density_atomic": 0.028704713144555773,
"volume": 243.8623916827973,
"volume_molar": 20.97962355405798,
"formula_full": "Mn1 In2 Te4",
"formula_reduced": "Mn(InTe2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 82
},
{
"id": "jvasp-35696",
"created_at": "2022-09-04T14:37:28.122792Z",
"updated_at": "2022-09-04T14:37:28.122816Z",
"structure_string": "Ti2 Mn1 In1\n1.0\n3.162394 3.162394 0.000000\n3.162394 0.000000 -3.162394\n0.000000 3.162394 -3.162394\nTi Mn In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.499999 0.499999 0.499999 Mn\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
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"elements": [
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],
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"volume": 63.252533850075714,
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"formula_full": "Ti2 Mn1 In1",
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"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-104911",
"created_at": "2022-09-04T14:36:44.797622Z",
"updated_at": "2022-09-04T14:36:44.797645Z",
"structure_string": "Tm1 Mn1 In1\n1.0\n4.704067 0.000000 0.000000\n-2.352034 4.073841 0.000000\n-0.000000 -0.000000 3.436297\nTm Mn In\n1 1 1\ndirect\n0.666667 0.333333 -0.000000 Tm\n0.000000 0.000000 0.500000 Mn\n0.333334 0.666666 0.500000 In\n",
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"elements": [
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],
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"volume": 65.85189339042867,
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"formula_full": "Tm1 Mn1 In1",
"formula_reduced": "TmMnIn",
"formula_anonymous": "ABC",
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},
{
"id": "jvasp-107249",
"created_at": "2022-09-04T14:36:57.444256Z",
"updated_at": "2022-09-04T14:36:57.444270Z",
"structure_string": "Mn2 V1 In1\n1.0\n3.784569 -0.000000 2.185022\n1.261523 3.568126 2.185022\n-0.000000 -0.000000 4.370044\nMn V In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.749999 0.750001 0.749999 Mn\n0.000000 0.000000 0.000000 V\n0.500000 0.500001 0.499999 In\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.756074480084076,
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"volume": 59.01228340646088,
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"formula_full": "Mn2 V1 In1",
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"spacegroup": 225
},
{
"id": "jvasp-79298",
"created_at": "2022-09-04T14:36:40.825557Z",
"updated_at": "2022-09-04T14:36:40.825579Z",
"structure_string": "Mn1 In2 W1\n1.0\n-0.144547 3.442704 3.525709\n5.009627 0.510584 2.628126\n5.000188 2.638948 0.549346\nMn In W\n1 2 1\ndirect\n0.477959 0.468944 0.468875 Mn\n0.943037 0.018712 0.018758 In\n0.308624 0.230929 0.230995 In\n0.770381 0.781420 0.781364 W\n",
"nsites": 4,
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"elements": [
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"W"
],
"chemical_system": "In-Mn-W",
"density": 10.463319430003208,
"density_atomic": 0.0538084484175514,
"volume": 74.33776883808581,
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"formula_full": "Mn1 In2 W1",
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"formula_anonymous": "ABC2",
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"spacegroup": 8
},
{
"id": "jvasp-99060",
"created_at": "2022-09-04T14:35:49.060420Z",
"updated_at": "2022-09-04T14:35:49.060448Z",
"structure_string": "Rb1 In1 Mo2 O8\n1.0\n5.886888 -0.000000 -0.000000\n-2.943444 5.098195 0.000000\n-0.000000 -0.000000 7.520296\nRb In Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.666668 0.333333 0.750773 Mo\n0.333334 0.666668 0.249227 Mo\n0.333592 0.166796 0.825588 O\n0.833204 0.166796 0.825588 O\n0.833205 0.666409 0.825588 O\n0.166797 0.833205 0.174412 O\n0.333334 0.666668 0.479638 O\n0.666668 0.333333 0.520363 O\n0.166797 0.333592 0.174412 O\n0.666410 0.833205 0.174412 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "In-Mo-O-Rb",
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"density_atomic": 0.05316723746241812,
"volume": 225.70290601392145,
"volume_molar": 11.326788916307379,
"formula_full": "Rb1 In1 Mo2 O8",
"formula_reduced": "RbIn(MoO4)2",
"formula_anonymous": "ABC2D8",
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},
{
"id": "jvasp-90723",
"created_at": "2022-09-04T14:35:51.169397Z",
"updated_at": "2022-09-04T14:35:51.169419Z",
"structure_string": "In2 Mo2 S4\n1.0\n-1.606052 -2.781862 0.000000\n-1.606052 2.781862 0.000000\n0.000000 -0.000000 -18.364163\nIn Mo S\n2 2 4\ndirect\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.000023 -0.000023 0.750000 Mo\n-0.000023 0.000023 0.250000 Mo\n0.666694 0.333304 0.664170 S\n0.333304 0.666694 0.335830 S\n0.333304 0.666694 0.164170 S\n0.666694 0.333304 0.835830 S\n",
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"volume": 164.09536688634728,
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"formula_full": "In2 Mo2 S4",
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},
{
"id": "jvasp-12315",
"created_at": "2022-09-04T14:37:32.690750Z",
"updated_at": "2022-09-04T14:37:32.690777Z",
"structure_string": "In1 Mo6 Se8\n1.0\n6.886035 0.040889 0.101434\n0.100552 6.885422 0.101435\n0.041245 0.040889 6.886659\nIn Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 In\n0.438174 0.759032 0.579865 Mo\n0.759033 0.579866 0.438173 Mo\n0.579867 0.438174 0.759031 Mo\n0.561827 0.240968 0.420134 Mo\n0.240968 0.420134 0.561826 Mo\n0.420134 0.561826 0.240967 Mo\n0.612398 0.881525 0.254641 Se\n0.881526 0.254642 0.612397 Se\n0.254642 0.612397 0.881525 Se\n0.387603 0.118475 0.745358 Se\n0.118475 0.745358 0.387602 Se\n0.745359 0.387603 0.118474 Se\n0.756472 0.756471 0.756470 Se\n0.243529 0.243529 0.243528 Se\n",
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"formula_full": "In1 Mo6 Se8",
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"formula_anonymous": "AB6C8",
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"spacegroup": 148
},
{
"id": "jvasp-17841",
"created_at": "2022-09-04T14:37:27.133311Z",
"updated_at": "2022-09-04T14:37:27.133345Z",
"structure_string": "In1 N1\n1.0\n2.878894 -0.000000 1.662130\n0.959632 2.714248 1.662130\n0.000000 0.000000 3.324261\nIn N\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500000 N\n",
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